A0A087YIZ3_POEFO Loading...

DENN domain containing 3

AlphaFold DB , UniProt , Accession A0A087YIZ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 780 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
1M49.5Very low56.9Low146 Ų14655.7 Ų55.772%0.71928%0.282SS*.  0117.10-168.1-175.8-74.200106.1A5 R6 L9M1-A5 HydrophobicContact CG-CB 3.58Å; M1-R6 HydrophobicContact CG-CG 3.94Å; M1-R6 HydrophobicContact SD-CB 4.36Å; M1-R6 HydrophobicContact SD-CG 3.45Å; M1-R6 WeakPolarHBondContact SD-CG 3.26Å; M1-L9 HydrophobicContact CE-CD1 3.33Å; M1-L9 HydrophobicContact SD-CD1 3.53Å; M1-L9 VanDerWaalsContact SD-CD1 3.53Å
2D61.4Low55.9Low74 Ų7464.6 Ų64.640%0.39631%0.31SS..  trans-69.7169.3176.364.8-13.8000110.3F4 A5 R6D2-F4 PolarHBondContact O-N 2.81Å; D2-F4 VanDerWaalsContact O-N 3.09Å; D2-A5 WeakPolarHBondContact OD1-CA 3.43Å; D2-A5 WeakPolarHBondContact OD1-CB 3.43Å; D2-A5 PolarHBondContact OD1-N 3.1Å; D2-R6 PolarHBondContact O-N 3.3Å; D2-R6 VanDerWaalsContact O-N 3.16Å
3H59.9Low54.5Low5 Ų562.8 Ų62.82%0.02331%0.312CS..Hα-helixtrans-60.9-20-179.5-69.7-81.8000112.5R6 M7 L479 N489 P490H3-R6 WeakPolarHBondContact O-CB 3.39Å; H3-M7 WeakPolarHBondContact O-CB 3.35Å; H3-M7 PolarHBondContact O-N 2.86Å; H3-L479 VanDerWaalsContact NE2-CD2 3.31Å; H3-L479 WeakPolarHBondContact NE2-CD2 3.01Å; H3-N489 PolarHBondContact CE1-OD1 3.23Å; H3-N489 PolarHBondContact ND1-OD1 3.44Å; H3-P490 HydrophobicContact CB-CG 4.24Å
4F61.3Low53.5Low21 Ų2161.4 Ų61.49%0.09230%0.304CS..Hα-helixtrans-95.1-35.3-171.7-52.1-71.6000112.7D2 R6 M7 E8 Y474 E759 R761D2-F4 PolarHBondContact O-N 2.81Å; D2-F4 VanDerWaalsContact O-N 3.09Å; F4-R6 PolarHBondContact O-N 3.47Å; F4-M7 HydrophobicContact CD1-CE 3.75Å; F4-M7 HydrophobicContact CE1-CE 3.97Å; F4-M7 CarbonylContact O-C 3.56Å; F4-M7 WeakPolarHBondContact O-CB 3.23Å; F4-M7 PolarHBondContact O-N 3.04Å; F4-E8 WeakPolarHBondContact O-CG 3.28Å; F4-E8 PolarHBondContact O-N 2.98Å; F4-Y474 WeakPolarHBondContact CZ-OH 3.49Å; F4-E759 WeakPolarHBondContact CE2-OE2 3.38Å; F4-E759 HydrophobicContact CZ-CG 4.45Å; F4-E759 WeakPolarHBondContact CZ-OE1 3.06Å; F4-E759 WeakPolarHBondContact CZ-OE2 3.4Å; F4-R761 VanDerWaalsContact CB-NH1 3.32Å; F4-R761 VanDerWaalsContact CD1-NH2 3.29Å
5A56.8Low52.1Low33 Ų3363.7 Ų63.727%0.27332%0.315SS..Hα-helixtrans-63.7-34.6162.300000111M1 D2 L9M1-A5 HydrophobicContact CG-CB 3.58Å; D2-A5 WeakPolarHBondContact OD1-CA 3.43Å; D2-A5 WeakPolarHBondContact OD1-CB 3.43Å; D2-A5 PolarHBondContact OD1-N 3.1Å; A5-L9 VanDerWaalsContact O-CB 3.24Å; A5-L9 WeakPolarHBondContact O-CB 3.27Å; A5-L9 WeakPolarHBondContact O-CD1 3.33Å; A5-L9 WeakPolarHBondContact O-CG 3.44Å; A5-L9 PolarHBondContact O-N 3.28Å
6R60.3Low50.8Low119 Ų11969.6 Ų69.645%0.44934%0.342SS..Hα-helixtrans-64.2-43169.5-80.1-175.2-177147.30.7111.9M1 D2 H3 F4 L9 S10M1-R6 HydrophobicContact CG-CG 3.94Å; M1-R6 HydrophobicContact SD-CB 4.36Å; M1-R6 HydrophobicContact SD-CG 3.45Å; M1-R6 WeakPolarHBondContact SD-CG 3.26Å; D2-R6 PolarHBondContact O-N 3.3Å; D2-R6 VanDerWaalsContact O-N 3.16Å; H3-R6 WeakPolarHBondContact O-CB 3.39Å; F4-R6 PolarHBondContact O-N 3.47Å; R6-L9 PolarHBondContact O-N 2.96Å; R6-S10 WeakPolarHBondContact O-CB 3.4Å; R6-S10 PolarHBondContact O-N 2.86Å
7M62.5Low50Low1 Ų173.8 Ų73.81%0.00536%0.358CS..Hα-helixtrans-60.1-53.1175.5-173.6-154.4-74.500111.4H3 F4 L9 S10 T11 A506 A507 W509 Y762H3-M7 WeakPolarHBondContact O-CB 3.35Å; H3-M7 PolarHBondContact O-N 2.86Å; F4-M7 HydrophobicContact CD1-CE 3.75Å; F4-M7 HydrophobicContact CE1-CE 3.97Å; F4-M7 CarbonylContact O-C 3.56Å; F4-M7 WeakPolarHBondContact O-CB 3.23Å; F4-M7 PolarHBondContact O-N 3.04Å; M7-L9 VanDerWaalsContact C-N 3.3Å; M7-L9 PolarHBondContact O-N 2.91Å; M7-S10 CarbonylContact O-C 3.52Å; M7-S10 WeakPolarHBondContact O-CA 3.5Å; M7-S10 WeakPolarHBondContact O-CB 3.5Å; M7-S10 PolarHBondContact O-N 3.24Å; M7-T11 PolarHBondContact O-N 3.15Å; M7-T11 PolarHBondContact O-OG1 3.14Å; M7-A506 WeakPolarHBondContact CE-O 3.22Å; M7-A507 WeakPolarHBondContact CA-O 3.45Å; M7-W509 HydrophobicContact CE-CH2 4.15Å; M7-W509 HydrophobicContact CE-CZ2 3.71Å; M7-W509 HydrophobicContact CG-CZ2 4.23Å; M7-W509 HydrophobicContact SD-CZ2 3.62Å; M7-Y762 HydrophobicContact CE-CD2 4.25Å; M7-Y762 HydrophobicContact CE-CE2 3.99Å; M7-Y762 HydrophobicContact SD-CD2 4.03Å; M7-Y762 HydrophobicContact SD-CE2 3.38Å; M7-Y762 WeakPolarHBondContact SD-CE2 3.06Å
8E59.2Low49Very low76 Ų7672.6 Ų72.636%0.35535%0.352SS..Hα-helixtrans-60.2-39.1178.6-71.4-165.2154.600112.6F4 R12F4-E8 WeakPolarHBondContact O-CG 3.28Å; F4-E8 PolarHBondContact O-N 2.98Å; E8-R12 WeakPolarHBondContact O-CB 3.29Å; E8-R12 WeakPolarHBondContact O-CG 3.35Å; E8-R12 PolarHBondContact O-N 2.88Å
9L55.2Low47.8Very low92 Ų9272.9 Ų72.948%0.48236%0.361SS..Hα-helixtrans-68.8-38.2174.1-74.1168.1000111.9M1 A5 R6 M7 A13M1-L9 HydrophobicContact CE-CD1 3.33Å; M1-L9 HydrophobicContact SD-CD1 3.53Å; M1-L9 VanDerWaalsContact SD-CD1 3.53Å; A5-L9 VanDerWaalsContact O-CB 3.24Å; A5-L9 WeakPolarHBondContact O-CB 3.27Å; A5-L9 WeakPolarHBondContact O-CD1 3.33Å; A5-L9 WeakPolarHBondContact O-CG 3.44Å; A5-L9 PolarHBondContact O-N 3.28Å; R6-L9 PolarHBondContact O-N 2.96Å; M7-L9 VanDerWaalsContact C-N 3.3Å; M7-L9 PolarHBondContact O-N 2.91Å; L9-A13 WeakPolarHBondContact O-CA 3.5Å; L9-A13 WeakPolarHBondContact O-CB 3.49Å; L9-A13 PolarHBondContact O-N 2.81Å
10S52.6Low47Very low32 Ų3272.8 Ų72.822%0.22436%0.364CS..Hα-helixtrans-67.5-44.3175.4-167.40000110.9R6 M7 A13 E14R6-S10 WeakPolarHBondContact O-CB 3.4Å; R6-S10 PolarHBondContact O-N 2.86Å; M7-S10 CarbonylContact O-C 3.52Å; M7-S10 WeakPolarHBondContact O-CA 3.5Å; M7-S10 WeakPolarHBondContact O-CB 3.5Å; M7-S10 PolarHBondContact O-N 3.24Å; S10-A13 CarbonylContact O-C 3.51Å; S10-A13 PolarHBondContact O-N 2.79Å; S10-E14 VanDerWaalsContact O-CB 3.27Å; S10-E14 WeakPolarHBondContact O-CB 3.24Å; S10-E14 WeakPolarHBondContact O-CG 3.48Å; S10-E14 PolarHBondContact O-N 3.43Å
11T47.7Very low46.1Very low14 Ų1472.3 Ų72.39%0.08636%0.364CS..Hα-helixtrans-68-40.5178.7-29.40000110.6M7 E14 M15 H455M7-T11 PolarHBondContact O-N 3.15Å; M7-T11 PolarHBondContact O-OG1 3.14Å; T11-E14 PolarHBondContact O-N 2.73Å; T11-M15 WeakPolarHBondContact O-CB 3.35Å; T11-M15 VanDerWaalsContact O-CG 3.22Å; T11-M15 WeakPolarHBondContact O-CG 3.37Å; T11-M15 PolarHBondContact O-N 3.3Å; T11-H455 HydrophobicContact CG2-CB 4.36Å
12R44Very low45Very low162 Ų16274.1 Ų74.161%0.61137%0.371SS*.Hα-helixtrans-66.9-39.2173-74.8177.9-177.4-173.65.1112E8 Q16E8-R12 WeakPolarHBondContact O-CB 3.29Å; E8-R12 WeakPolarHBondContact O-CG 3.35Å; E8-R12 PolarHBondContact O-N 2.88Å; R12-Q16 WeakPolarHBondContact O-CB 3.33Å; R12-Q16 WeakPolarHBondContact O-CG 3.28Å; R12-Q16 PolarHBondContact O-N 3.3Å
13A38.7Very low43.5Very low41 Ų4173.8 Ų73.834%0.33937%0.372SS..Hα-helixtrans-68.7-40.2175.400000110.7L9 S10 Q16 K17L9-A13 WeakPolarHBondContact O-CA 3.5Å; L9-A13 WeakPolarHBondContact O-CB 3.49Å; L9-A13 PolarHBondContact O-N 2.81Å; S10-A13 CarbonylContact O-C 3.51Å; S10-A13 PolarHBondContact O-N 2.79Å; A13-Q16 CarbonylContact O-C 3.59Å; A13-Q16 VanDerWaalsContact O-C 3.29Å; A13-Q16 WeakPolarHBondContact O-CA 3.2Å; A13-Q16 PolarHBondContact O-N 3.01Å; A13-K17 CarbonylContact O-C 3.41Å; A13-K17 VanDerWaalsContact O-CA 3.25Å; A13-K17 WeakPolarHBondContact O-CA 3.48Å; A13-K17 VanDerWaalsContact O-CB 3.23Å; A13-K17 WeakPolarHBondContact O-CB 3.41Å; A13-K17 PolarHBondContact O-N 3.4Å
14E39.4Very low42.3Very low43 Ų4379.3 Ų79.320%0.20141%0.408CS..Hα-helixtrans-67.2-35.6176.2-80.3-173.5156.700112.3S10 T11 Q16 K17 P19S10-E14 VanDerWaalsContact O-CB 3.27Å; S10-E14 WeakPolarHBondContact O-CB 3.24Å; S10-E14 WeakPolarHBondContact O-CG 3.48Å; S10-E14 PolarHBondContact O-N 3.43Å; T11-E14 PolarHBondContact O-N 2.73Å; E14-Q16 PolarHBondContact O-N 2.97Å; E14-K17 WeakPolarHBondContact CA-O 3.38Å; E14-P19 HydrophobicContact CG-CG 4.19Å
15M33.6Very low41.5Very low97 Ų9783.4 Ų83.448%0.47842%0.423SS..THydrogen-bonded Turntrans-64.8-19.6168.2-72.1-179.585.100112.8T11 K397T11-M15 WeakPolarHBondContact O-CB 3.35Å; T11-M15 VanDerWaalsContact O-CG 3.22Å; T11-M15 WeakPolarHBondContact O-CG 3.37Å; T11-M15 PolarHBondContact O-N 3.3Å; M15-K397 HydrophobicContact CE-CD 3.91Å
16Q31.5Very low41.4Very low157 Ų15784.6 Ų84.673%0.73442%0.42SS*.THydrogen-bonded Turntrans-117.8-16-176.3-67.9-175.4-3.500115.6R12 A13 E14R12-Q16 WeakPolarHBondContact O-CB 3.33Å; R12-Q16 WeakPolarHBondContact O-CG 3.28Å; R12-Q16 PolarHBondContact O-N 3.3Å; A13-Q16 CarbonylContact O-C 3.59Å; A13-Q16 VanDerWaalsContact O-C 3.29Å; A13-Q16 WeakPolarHBondContact O-CA 3.2Å; A13-Q16 PolarHBondContact O-N 3.01Å; E14-Q16 PolarHBondContact O-N 2.97Å
17K36.1Very low40.9Very low142 Ų14279.6 Ų79.662%0.61740%0.403SS*.SBendtrans-149.6118.3-171.8-67-172.1174.3-171.40106.3A13 E14 P19A13-K17 CarbonylContact O-C 3.41Å; A13-K17 VanDerWaalsContact O-CA 3.25Å; A13-K17 WeakPolarHBondContact O-CA 3.48Å; A13-K17 VanDerWaalsContact O-CB 3.23Å; A13-K17 WeakPolarHBondContact O-CB 3.41Å; A13-K17 PolarHBondContact O-N 3.4Å; E14-K17 WeakPolarHBondContact CA-O 3.38Å; K17-P19 WeakPolarHBondContact O-CD 3.2Å
18M32.4Very low40.8Very low52 Ų5280.2 Ų80.226%0.25641%0.407SS..  trans-93.3105-176.9-69.5172.8127.300109.9K318M18-K318 WeakPolarHBondContact SD-CE 3.34Å; M18-K318 HydrophobicContact SD-CG 4.34Å
19P26.6Very low41.2Very low79 Ų7976.8 Ų76.851%0.51339%0.391SS..  trans-82.5114.7154.132.1-28000108.2E14 K17 V21E14-P19 HydrophobicContact CG-CG 4.19Å; K17-P19 WeakPolarHBondContact O-CD 3.2Å; P19-V21 PolarHBondContact O-N 3.19Å
20V31.7Very low41.3Very low70 Ų7077.2 Ų77.242%0.42439%0.391SS..  trans-74.3118.7175.9173.90000109.1R25V20-R25 HydrophobicContact CG1-CG 4.38Å
21V27.6Very low41.8Very low62 Ų6279.1 Ų79.138%0.37640%0.396SS..  trans-57.5147165.9173.90000110.5P19 V23P19-V21 PolarHBondContact O-N 3.19Å; V21-V23 VanDerWaalsContact C-N 3.34Å; V21-V23 PolarHBondContact O-N 3.49Å
22E25.5Very low42.6Very low185 Ų18579.2 Ų79.286%0.86440%0.396SS*.SBendtrans-61.672.8-172.4-67-179.2142.100115.4
23V30.7Very low43.4Very low66 Ų6673.3 Ų73.340%0.438%0.376SS..SBendtrans-89.4160.4147.1178.30000106.3V21 R25V21-V23 VanDerWaalsContact C-N 3.34Å; V21-V23 PolarHBondContact O-N 3.49Å; V23-R25 VanDerWaalsContact C-N 3.26Å; V23-R25 WeakPolarHBondContact O-CA 3.02Å; V23-R25 PolarHBondContact O-N 3.04Å
24P34.5Very low44.4Very low122 Ų12275.5 Ų75.579%0.79239%0.385SS*.SBendtrans-4992.8171.416.6-32.8000111R26P24-R26 PolarHBondContact O-N 3.15Å
25R45.8Very low45.5Very low107 Ų10780.7 Ų80.740%0.40440%0.403SS..PPolyproline II helixtrans-74.5123.7-167.3179.4173.3169.7157.2-6.6106.5V20 V23 G294V20-R25 HydrophobicContact CG1-CG 4.38Å; V23-R25 VanDerWaalsContact C-N 3.26Å; V23-R25 WeakPolarHBondContact O-CA 3.02Å; V23-R25 PolarHBondContact O-N 3.04Å; R25-G294 VanDerWaalsContact NH2-CA 3.32Å
26R54.1Low46.8Very low57 Ų5779.6 Ų79.622%0.21539%0.394CS..PPolyproline II helixtrans-56128.2167-76.7-175.3173.2171.43.2107.4P24 T28 E275P24-R26 PolarHBondContact O-N 3.15Å; R26-T28 PolarHBondContact O-N 3.36Å; R26-E275 IonicContact CZ-OE1 2.83Å; R26-E275 IonicContact NE-OE1 2.64Å; R26-E275 PolarHBondContact NE-OE1 3.29Å; R26-E275 IonicContact NH2-OE1 3.44Å; R26-E275 PolarHBondContact NH2-OE1 3.22Å; R26-E275 VanDerWaalsContact NH2-OE1 3.08Å
27P49.2Very low48Very low14 Ų1481 Ų819%0.09140%0.398CS..PPolyproline II helixtrans-60141.8-175.122.8-31.8000110.1E31 I32P27-E31 WeakPolarHBondContact CA-OE2 3.31Å; P27-E31 HydrophobicContact CB-CB 4.06Å; P27-E31 WeakPolarHBondContact CB-OE2 3.39Å; P27-I32 HydrophobicContact CB-CG1 4.02Å; P27-I32 HydrophobicContact CG-CD1 4.2Å; P27-I32 HydrophobicContact CG-CG1 3.86Å; P27-I32 WeakPolarHBondContact O-CD1 3.48Å
28T60.4Low48.5Very low15 Ų1579 Ų799%0.09240%0.402CS..PPolyproline II helixtrans-62.8157.8179.360.50000111.1R26 Q30 E31 I32R26-T28 PolarHBondContact O-N 3.36Å; T28-Q30 PolarHBondContact O-N 3.48Å; T28-Q30 VanDerWaalsContact O-N 3.15Å; T28-E31 WeakPolarHBondContact CG2-OE1 3.39Å; T28-E31 PolarHBondContact N-OE2 2.9Å; T28-E31 WeakPolarHBondContact O-CB 3.43Å; T28-E31 PolarHBondContact O-N 3.05Å; T28-E31 WeakPolarHBondContact OG1-CB 3.34Å; T28-E31 VanDerWaalsContact OG1-CG 3.24Å; T28-E31 WeakPolarHBondContact OG1-CG 3.49Å; T28-E31 PolarHBondContact OG1-N 3.4Å; T28-E31 PolarHBondContact OG1-OE1 2.99Å; T28-I32 WeakPolarHBondContact O-CG1 3.42Å; T28-I32 PolarHBondContact O-N 3.36Å
29M67.9Low49Very low4 Ų479.4 Ų79.42%0.0241%0.409CS..Hα-helixtrans-58.8-29.9176.4-71.1-54.1-53.500112.2I32 L33 L283 V288 L291 C296M29-I32 HydrophobicContact SD-CD1 4Å; M29-L33 WeakPolarHBondContact O-CB 3.19Å; M29-L33 VanDerWaalsContact O-CG 3.27Å; M29-L33 WeakPolarHBondContact O-CG 3.5Å; M29-L33 PolarHBondContact O-N 3.1Å; M29-L283 HydrophobicContact CE-CB 4.49Å; M29-L283 HydrophobicContact CE-CD1 3.8Å; M29-L283 HydrophobicContact CE-CG 4.04Å; M29-L283 HydrophobicContact CG-CD1 4.03Å; M29-L283 HydrophobicContact SD-CD1 4.29Å; M29-V288 HydrophobicContact CB-CG2 4.43Å; M29-L291 HydrophobicContact CB-CD1 4.29Å; M29-L291 HydrophobicContact CG-CD1 3.98Å; M29-C296 HydrophobicContact CG-CB 4.47Å
30Q58.3Low49.6Very low101 Ų10178.9 Ų78.947%0.47242%0.418SS..Hα-helixtrans-68.2-45.1173.3-67.2178.31.600112T28 I32 L33 T34 V288T28-Q30 PolarHBondContact O-N 3.48Å; T28-Q30 VanDerWaalsContact O-N 3.15Å; Q30-I32 VanDerWaalsContact C-N 3.34Å; Q30-I32 PolarHBondContact O-N 3.48Å; Q30-L33 PolarHBondContact O-N 3.47Å; Q30-T34 PolarHBondContact O-N 3.2Å; Q30-T34 PolarHBondContact O-OG1 3.33Å; Q30-V288 HydrophobicContact CG-CG1 3.74Å
31E61.9Low49.9Very low72 Ų7286.6 Ų86.634%0.33645%0.446SS..Hα-helixtrans-62.7-38.3174-75.7158-133.300112.9P27 T28 L33 T34 R35P27-E31 WeakPolarHBondContact CA-OE2 3.31Å; P27-E31 HydrophobicContact CB-CB 4.06Å; P27-E31 WeakPolarHBondContact CB-OE2 3.39Å; T28-E31 WeakPolarHBondContact CG2-OE1 3.39Å; T28-E31 PolarHBondContact N-OE2 2.9Å; T28-E31 WeakPolarHBondContact O-CB 3.43Å; T28-E31 PolarHBondContact O-N 3.05Å; T28-E31 WeakPolarHBondContact OG1-CB 3.34Å; T28-E31 VanDerWaalsContact OG1-CG 3.24Å; T28-E31 WeakPolarHBondContact OG1-CG 3.49Å; T28-E31 PolarHBondContact OG1-N 3.4Å; T28-E31 PolarHBondContact OG1-OE1 2.99Å; E31-L33 VanDerWaalsContact C-N 3.33Å; E31-T34 VanDerWaalsContact CA-OG1 3.29Å; E31-T34 WeakPolarHBondContact CA-OG1 3.48Å; E31-T34 PolarHBondContact O-N 3.13Å; E31-T34 PolarHBondContact O-OG1 2.91Å; E31-R35 WeakPolarHBondContact O-CB 3.42Å; E31-R35 VanDerWaalsContact O-CG 3.26Å; E31-R35 WeakPolarHBondContact O-CG 3.37Å; E31-R35 PolarHBondContact O-N 3.19Å
32I64Low50.1Low15 Ų1586.2 Ų86.28%0.07746%0.455CS..Hα-helixtrans-64.3-42.7175.9-67.8168.4000109.8P27 T28 M29 Q30 R36 Q279P27-I32 HydrophobicContact CB-CG1 4.02Å; P27-I32 HydrophobicContact CG-CD1 4.2Å; P27-I32 HydrophobicContact CG-CG1 3.86Å; P27-I32 WeakPolarHBondContact O-CD1 3.48Å; T28-I32 WeakPolarHBondContact O-CG1 3.42Å; T28-I32 PolarHBondContact O-N 3.36Å; M29-I32 HydrophobicContact SD-CD1 4Å; Q30-I32 VanDerWaalsContact C-N 3.34Å; Q30-I32 PolarHBondContact O-N 3.48Å; I32-R36 VanDerWaalsContact O-CG 3.28Å; I32-R36 WeakPolarHBondContact O-CG 3.41Å; I32-R36 PolarHBondContact O-N 2.93Å; I32-Q279 HydrophobicContact CD1-CB 4.36Å; I32-Q279 HydrophobicContact CD1-CG 4.28Å; I32-Q279 WeakPolarHBondContact CG2-O 3.49Å
33L62.3Low50.8Low38 Ų3883.5 Ų83.520%0.19945%0.446CS..Hα-helixtrans-67.4-39.2177.2-76.8173.2000112.8M29 Q30 E31 R36 K37 V288M29-L33 WeakPolarHBondContact O-CB 3.19Å; M29-L33 VanDerWaalsContact O-CG 3.27Å; M29-L33 WeakPolarHBondContact O-CG 3.5Å; M29-L33 PolarHBondContact O-N 3.1Å; Q30-L33 PolarHBondContact O-N 3.47Å; E31-L33 VanDerWaalsContact C-N 3.33Å; L33-R36 PolarHBondContact O-N 3.04Å; L33-K37 WeakPolarHBondContact O-CG 3.47Å; L33-K37 PolarHBondContact O-N 3.48Å; L33-V288 HydrophobicContact CD1-CB 4.29Å; L33-V288 HydrophobicContact CD1-CG1 4.11Å; L33-V288 HydrophobicContact CD1-CG2 3.75Å
34T59.4Low51.5Low87 Ų8788.4 Ų88.453%0.53446%0.463SS..Hα-helixtrans-67.8-42.7175.249.20000111.6Q30 E31 R36 K37 S38Q30-T34 PolarHBondContact O-N 3.2Å; Q30-T34 PolarHBondContact O-OG1 3.33Å; E31-T34 VanDerWaalsContact CA-OG1 3.29Å; E31-T34 WeakPolarHBondContact CA-OG1 3.48Å; E31-T34 PolarHBondContact O-N 3.13Å; E31-T34 PolarHBondContact O-OG1 2.91Å; T34-R36 VanDerWaalsContact C-N 3.3Å; T34-R36 PolarHBondContact O-N 2.97Å; T34-K37 PolarHBondContact O-N 2.84Å; T34-K37 VanDerWaalsContact O-N 3.15Å; T34-S38 PolarHBondContact O-N 2.89Å; T34-S38 PolarHBondContact O-OG 2.96Å
35R61.2Low51.8Low153 Ų15389 Ų8958%0.57746%0.459SS*.Hα-helixtrans-56.4-43.3172.2-76.3177.7-176.3-173.63.7111.6E31 K37 S38 S39E31-R35 WeakPolarHBondContact O-CB 3.42Å; E31-R35 VanDerWaalsContact O-CG 3.26Å; E31-R35 WeakPolarHBondContact O-CG 3.37Å; E31-R35 PolarHBondContact O-N 3.19Å; R35-K37 PolarHBondContact O-N 2.94Å; R35-S38 WeakPolarHBondContact CA-OG 3.42Å; R35-S38 PolarHBondContact O-N 3.46Å; R35-S38 PolarHBondContact O-OG 3.39Å; R35-S39 PolarHBondContact O-N 2.68Å; R35-S39 PolarHBondContact O-OG 3.16Å
36R60.7Low51.6Low73 Ų7387.5 Ų87.528%0.27546%0.464SS..Hα-helixtrans-64-38.4176.6-75.6176.2-170.4172.38.8113.3I32 L33 T34 S38 Q279 D280 V281I32-R36 VanDerWaalsContact O-CG 3.28Å; I32-R36 WeakPolarHBondContact O-CG 3.41Å; I32-R36 PolarHBondContact O-N 2.93Å; L33-R36 PolarHBondContact O-N 3.04Å; T34-R36 VanDerWaalsContact C-N 3.3Å; T34-R36 PolarHBondContact O-N 2.97Å; R36-S38 VanDerWaalsContact C-N 3.28Å; R36-S38 PolarHBondContact O-N 2.93Å; R36-Q279 PolarHBondContact NH2-O 3.25Å; R36-D280 VanDerWaalsContact NH2-CA 3.26Å; R36-D280 PolarHBondContact NH2-O 2.88Å; R36-D280 VanDerWaalsContact NH2-O 3.16Å; R36-V281 PolarHBondContact NH1-O 3.26Å; R36-V281 PolarHBondContact NH2-O 3.13Å
37K57.5Low51.4Low188 Ų18891.1 Ų91.182%0.81748%0.482SS*.Hα-helixtrans-66.8-30.7175-72.2178.9-179.4-177.20112.1L33 T34 R35L33-K37 WeakPolarHBondContact O-CG 3.47Å; L33-K37 PolarHBondContact O-N 3.48Å; T34-K37 PolarHBondContact O-N 2.84Å; T34-K37 VanDerWaalsContact O-N 3.15Å; R35-K37 PolarHBondContact O-N 2.94Å
38S46Very low51.4Low100 Ų10096.2 Ų96.270%0.69950%0.499SS*.Hα-helixtrans-83.4-23.6177.666.30000114.9T34 R35 R36T34-S38 PolarHBondContact O-N 2.89Å; T34-S38 PolarHBondContact O-OG 2.96Å; R35-S38 WeakPolarHBondContact CA-OG 3.42Å; R35-S38 PolarHBondContact O-N 3.46Å; R35-S38 PolarHBondContact O-OG 3.39Å; R36-S38 VanDerWaalsContact C-N 3.28Å; R36-S38 PolarHBondContact O-N 2.93Å
39S44.7Very low50.7Low60 Ų60100.2 Ų100.242%0.4252%0.519SS..SBendtrans-95.2109.7178.967.30000111R35R35-S39 PolarHBondContact O-N 2.68Å; R35-S39 PolarHBondContact O-OG 3.16Å
40G38.8Very low50Low68 Ų68102.6 Ų102.670%0.70155%0.545SS*.  trans-54.8153.9172.300000112.9G42G40-G42 PolarHBondContact O-N 3.28Å
41F36.8Very low49.8Very low231 Ų231101.3 Ų101.3100%1.01354%0.54SS*.SBendtrans-50.991.5-179-86.8-97.8000112.5
42G33.5Very low49.3Very low54 Ų5498.3 Ų98.356%0.55753%0.527SS*.  trans-137.6116.4177.800000112.2G40G40-G42 PolarHBondContact O-N 3.28Å
43N39.9Very low49.1Very low128 Ų12899.8 Ų99.868%0.68454%0.535SS*.  trans14.194.2172.9-83.7-12.9000118.5L45 S46N43-L45 VanDerWaalsContact C-N 3.3Å; N43-L45 PolarHBondContact O-N 3.33Å; N43-S46 PolarHBondContact O-OG 2.65Å
44K44.9Very low48.8Very low170 Ų170100.1 Ų100.174%0.73954%0.539SS*.Hα-helixtrans-64.8-27172.5-69.1-178.1177.4-179.70114.1
45L40Very low48.5Very low135 Ų135100.4 Ų100.471%0.70754%0.537SS*.Hα-helixtrans-72.9-36.1-176.9-78.8154.8000113N43 L49N43-L45 VanDerWaalsContact C-N 3.3Å; N43-L45 PolarHBondContact O-N 3.33Å; L45-L49 PolarHBondContact O-N 3.32Å
46S41.3Very low47.9Very low75 Ų7598.3 Ų98.352%0.52454%0.537SS..Hα-helixtrans-72.3-29.8-178.3600000113.2N43 G50N43-S46 PolarHBondContact O-OG 2.65Å; S46-G50 PolarHBondContact O-N 3.48Å; S46-G50 VanDerWaalsContact O-N 3.1Å
47K50Low46.8Very low133 Ų13398.6 Ų98.658%0.57856%0.563SS**Hα-helixtrans-68.3-40.4176.4-73.7-175.4178179.10112.8G50 M51K47-G50 PolarHBondContact O-N 3.17Å; K47-M51 WeakPolarHBondContact O-CG 3.41Å; K47-M51 PolarHBondContact O-N 2.99Å
48R49.2Very low45.7Very low121 Ų12193 Ų9346%0.45756%0.558SS.*Hα-helixtrans-64.8-45.4178.7-73.6-173.5179-164-4.1112.2M51 S52 D280R48-M51 PolarHBondContact O-N 2.9Å; R48-S52 PolarHBondContact O-N 3.06Å; R48-S52 PolarHBondContact O-OG 2.83Å; R48-D280 IonicContact CZ-OD2 3.37Å; R48-D280 VanDerWaalsContact CZ-OD2 3.31Å; R48-D280 IonicContact NE-OD2 3.49Å; R48-D280 PolarHBondContact NE-OD2 2.91Å; R48-D280 IonicContact NH2-OD2 2.67Å; R48-D280 PolarHBondContact NH2-OD2 2.93Å
49L46.4Very low44.9Very low98 Ų9898.9 Ų98.951%0.51357%0.566SS.*Hα-helixtrans-66.5-37.5177.2-84.8144.1000113L45 M51 S52 L53L45-L49 PolarHBondContact O-N 3.32Å; L49-M51 VanDerWaalsContact C-N 3.3Å; L49-M51 PolarHBondContact O-N 3.13Å; L49-S52 PolarHBondContact O-OG 3.43Å; L49-L53 PolarHBondContact O-N 3.07Å
50G52.6Low44.1Very low55 Ų55104.6 Ų104.657%0.56759%0.586SS**Hα-helixtrans-70.7-22.2177.600000114.5S46 K47S46-G50 PolarHBondContact O-N 3.48Å; S46-G50 VanDerWaalsContact O-N 3.1Å; K47-G50 PolarHBondContact O-N 3.17Å
51M55.6Low43.5Very low73 Ų73107.6 Ų107.636%0.3659%0.591SS.*Hα-helixtrans-87.1-31.6176.9-77174.440.400113.6K47 R48 L49 A276K47-M51 WeakPolarHBondContact O-CG 3.41Å; K47-M51 PolarHBondContact O-N 2.99Å; R48-M51 PolarHBondContact O-N 2.9Å; L49-M51 VanDerWaalsContact C-N 3.3Å; L49-M51 PolarHBondContact O-N 3.13Å; M51-A276 HydrophobicContact CE-CB 3.85Å
52S51.2Low42.9Very low9 Ų9103.7 Ų103.76%0.06358%0.58CS.*Hα-helixtrans-88.6-23-176.260.30000114R48 L49R48-S52 PolarHBondContact O-N 3.06Å; R48-S52 PolarHBondContact O-OG 2.83Å; L49-S52 PolarHBondContact O-OG 3.43Å
53L59.3Low42.4Very low47 Ų47106 Ų10625%0.24659%0.587CS.*  trans-129.684.9-177.6-69.1170.4000111.2L49 N55 L56L49-L53 PolarHBondContact O-N 3.07Å; L53-N55 PolarHBondContact O-N 2.71Å; L53-L56 HydrophobicContact CB-CD1 3.73Å; L53-L56 HydrophobicContact CB-CG 4.1Å; L53-L56 HydrophobicContact CD1-CD1 3.57Å; L53-L56 HydrophobicContact CD1-CG 4.49Å; L53-L56 HydrophobicContact CG-CD1 4.3Å; L53-L56 PolarHBondContact O-N 3.12Å
54P54.9Low41.7Very low44 Ų44106.7 Ų106.729%0.28659%0.59SS.*THydrogen-bonded Turntrans-65.6-13.4-17526.2-34.7000114.1L218 Y268P54-L218 HydrophobicContact CG-CD1 4.23Å; P54-L218 HydrophobicContact CG-CG 4.12Å; P54-Y268 HydrophobicContact CG-CE1 4.45Å
55N55Low40.8Very low94 Ų94106.8 Ų106.850%0.50359%0.593SS.*THydrogen-bonded Turntrans-87.8-10.7-179.3-63.9-22.1000113.8L53 G57L53-N55 PolarHBondContact O-N 2.71Å; N55-G57 PolarHBondContact O-N 3.05Å
56L47.2Very low40.1Very low109 Ų109109 Ų10957%0.57160%0.597SS**SBendtrans-79.2114.6175.2-73.5172000108.7L53 G58L53-L56 HydrophobicContact CB-CD1 3.73Å; L53-L56 HydrophobicContact CB-CG 4.1Å; L53-L56 HydrophobicContact CD1-CD1 3.57Å; L53-L56 HydrophobicContact CD1-CG 4.49Å; L53-L56 HydrophobicContact CG-CD1 4.3Å; L53-L56 PolarHBondContact O-N 3.12Å; L56-G58 PolarHBondContact O-N 2.65Å
57G38.8Very low39.3Very low79 Ų79112.3 Ų112.381%0.81461%0.609SS**  trans-56.6102.3177.900000111.3N55 Y59N55-G57 PolarHBondContact O-N 3.05Å; G57-Y59 PolarHBondContact O-N 3.19Å
58G34Very low38.2Very low69 Ų69113.6 Ų113.671%0.71162%0.621SS**  trans-67127.6166.900000109.5L56 Q60L56-G58 PolarHBondContact O-N 2.65Å; G58-Q60 PolarHBondContact O-N 3.38Å
59Y28.3Very low37.1Very low225 Ų225114.9 Ų114.988%0.88264%0.636SS**  trans-44.5127.5168.3-87.2-95.8000110G57 V61G57-Y59 PolarHBondContact O-N 3.19Å; Y59-V61 PolarHBondContact O-N 3.04Å
60Q27.7Very low36.2Very low179 Ų179118.7 Ų118.784%0.83666%0.656SS**  trans-57.897172.6-84.6172-22.800109.3G58 L62G58-Q60 PolarHBondContact O-N 3.38Å; Q60-L62 PolarHBondContact O-N 3.17Å
61V25.8Very low34.9Very low132 Ų132121.9 Ų121.980%0.866%0.664SS**  trans-76.1104149.3179.50000104.5Y59 S63Y59-V61 PolarHBondContact O-N 3.04Å; V61-S63 PolarHBondContact O-N 3.32Å
62L25Very low33.6Very low148 Ų148129.4 Ų129.478%0.77569%0.689SS**  trans-57.989.9168.3-79.7153.5000108.2Q60 I64Q60-L62 PolarHBondContact O-N 3.17Å; L62-I64 VanDerWaalsContact C-N 3.33Å; L62-I64 PolarHBondContact O-N 3.5Å; L62-I64 VanDerWaalsContact O-N 3.1Å
63S24.1Very low32.4Very low103 Ų103133.1 Ų133.172%0.7272%0.72SS**  trans-71.898.216055.30000106.5V61 E65V61-S63 PolarHBondContact O-N 3.32Å; S63-E65 PolarHBondContact O-N 3.21Å
64I24.3Very low30.9Very low143 Ų143137.4 Ų137.473%0.73375%0.748SS**  trans-57.1106165.8-65.7167.2000106.4L62 K66L62-I64 VanDerWaalsContact C-N 3.33Å; L62-I64 PolarHBondContact O-N 3.5Å; L62-I64 VanDerWaalsContact O-N 3.1Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 3.27Å
65E25.5Very low29.6Very low171 Ų171143 Ų14380%0.79977%0.772SS**  trans-63.295.4163.3-80.7-177.8161.200107.1S63 N67S63-E65 PolarHBondContact O-N 3.21Å; E65-N67 VanDerWaalsContact C-N 3.32Å; E65-N67 PolarHBondContact O-N 3.45Å
66K25.8Very low28.3Very low183 Ų183143.9 Ų143.980%0.79679%0.786SS**  trans-66.2102.8157.2-84.6-175.6174.9179.80106.2I64 L68I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 3.27Å; K66-L68 VanDerWaalsContact C-N 3.32Å; K66-L68 PolarHBondContact O-N 3.39Å
67N25.3Very low27.4Very low144 Ų144146.1 Ų146.177%0.7780%0.798SS**  trans-46.8100.6157.3-77.5-44.9000108.3E65 L69E65-N67 VanDerWaalsContact C-N 3.32Å; E65-N67 PolarHBondContact O-N 3.45Å; N67-L69 PolarHBondContact O-N 3.11Å
68L25.5Very low27.3Very low159 Ų159148.2 Ų148.283%0.83280%0.801SS**  trans-74.487164.2-88158.1000106.2K66 L70K66-L68 VanDerWaalsContact C-N 3.32Å; K66-L68 PolarHBondContact O-N 3.39Å; L68-L70 PolarHBondContact O-N 3.48Å
69L27.1Very low27.3Very low148 Ų148148.5 Ų148.578%0.77580%0.796SS**  trans-43.3127.2156.7-75.3160.9000108.4N67 T71N67-L69 PolarHBondContact O-N 3.11Å; L69-T71 PolarHBondContact O-N 2.85Å; L69-T71 PolarHBondContact O-OG1 3.3Å
70L28.2Very low27.8Very low178 Ų178146.3 Ų146.393%0.93280%0.799SS**  trans-34.894.8168.5-80.4137.8000111L68 R72L68-L70 PolarHBondContact O-N 3.48Å; L70-R72 VanDerWaalsContact C-N 3.35Å; L70-R72 PolarHBondContact O-N 3.28Å; L70-R72 VanDerWaalsContact O-N 3.15Å
71T24.8Very low28.3Very low122 Ų122147.6 Ų147.675%0.74880%0.802SS**  trans-83.295.3166.7-40.10000104.9L69 A73L69-T71 PolarHBondContact O-N 2.85Å; L69-T71 PolarHBondContact O-OG1 3.3Å; T71-A73 PolarHBondContact O-N 3.02Å
72R28.4Very low28.9Very low231 Ų231147.2 Ų147.287%0.87280%0.8SS**  trans-49.5100.7170.3-161.2179.5-156.7165.14.4107.6L70 V74L70-R72 VanDerWaalsContact C-N 3.35Å; L70-R72 PolarHBondContact O-N 3.28Å; L70-R72 VanDerWaalsContact O-N 3.15Å; R72-V74 PolarHBondContact O-N 3.48Å
73A24.9Very low29.5Very low88 Ų88145.7 Ų145.773%0.72780%0.799SS**  trans-65.8105.8172.300000107T71 M75T71-A73 PolarHBondContact O-N 3.02Å; A73-M75 VanDerWaalsContact C-N 3.31Å; A73-M75 PolarHBondContact O-N 3.39Å
74V29.1Very low30.8Very low137 Ų137146.4 Ų146.483%0.8380%0.801SS**  trans-63.397166.21750000106.1R72R72-V74 PolarHBondContact O-N 3.48Å
75M26.7Very low32.2Very low160 Ų160146.6 Ų146.679%0.78880%0.804SS**  trans-74.9125.2161.7-71.8-153.169.400107.6A73 D77A73-M75 VanDerWaalsContact C-N 3.31Å; A73-M75 PolarHBondContact O-N 3.39Å; M75-D77 PolarHBondContact O-N 2.79Å; M75-D77 VanDerWaalsContact O-N 3.13Å
76S27.3Very low33.9Very low113 Ų113144.1 Ų144.179%0.7980%0.802SS**  trans-63.6105.4172.548.80000109.9S78S76-S78 PolarHBondContact O-N 3.22Å
77D29.8Very low35.9Very low156 Ų156141.5 Ų141.583%0.83480%0.801SS**  trans-71.2111.1170-89.8-27.3000110.2M75M75-D77 PolarHBondContact O-N 2.79Å; M75-D77 VanDerWaalsContact O-N 3.13Å
78S36.7Very low38.3Very low124 Ų124139.8 Ų139.887%0.86779%0.787SS**  trans-127.370150.871.60000108.8S76S76-S78 PolarHBondContact O-N 3.22Å
79A32.7Very low41Very low74 Ų74138.5 Ų138.561%0.61279%0.785SS**SBendtrans-125.3130.616800000108.8K81A79-K81 PolarHBondContact O-N 3.14Å; A79-K81 VanDerWaalsContact O-N 3.17Å
80L39.9Very low43.7Very low179 Ų179134.4 Ų134.494%0.93776%0.761SS**  trans-53.2116.8179-78.3129000110.4T82L80-T82 PolarHBondContact O-N 3.17Å; L80-T82 VanDerWaalsContact O-N 3.14Å
81K36.7Very low46.5Very low207 Ų207133.5 Ų133.590%0.975%0.75SS**  trans-64.8106.4-178.8-66.8178.6178.2179.20110.7A79A79-K81 PolarHBondContact O-N 3.14Å; A79-K81 VanDerWaalsContact O-N 3.17Å
82T40.2Very low49.5Very low123 Ų123131.9 Ų131.976%0.75574%0.736SS**PPolyproline II helixtrans-69.1142.414645.20000108.1L80L80-T82 PolarHBondContact O-N 3.17Å; L80-T82 VanDerWaalsContact O-N 3.14Å
83P37.3Very low52.4Low116 Ų116121.2 Ų121.275%0.75370%0.697SS**PPolyproline II helixtrans-59.5135.517824.2-31000109.3
84P51.9Low55.2Low119 Ų119124.6 Ų124.677%0.77370%0.698SS**PPolyproline II helixtrans-60.3145.1173.625.2-32000109.5
85D53.1Low57.7Low147 Ų147125.4 Ų125.479%0.78669%0.691SS**PPolyproline II helixtrans-48.8140.3172.9-79.3-32.6000110.3V87D85-V87 PolarHBondContact O-N 2.87Å
86P60.2Low60.3Low118 Ų118119.4 Ų119.477%0.76666%0.663SS**PPolyproline II helixtrans-58.9119-178.223.4-32.5000109.9K88P86-K88 PolarHBondContact O-N 3.22Å; P86-K88 VanDerWaalsContact O-N 3.1Å
87V68.2Low62.5Low129 Ų129120.4 Ų120.478%0.78266%0.664SS**  trans-62.3114.5174.7178.90000108.1D85 V89D85-V87 PolarHBondContact O-N 2.87Å; V87-V89 PolarHBondContact O-N 3.19Å
88K75.7Confident64.9Low107 Ų107120.5 Ų120.547%0.46566%0.657SS.*PPolyproline II helixtrans-72.4118.3173.8-77.3-173.6172.3-172.40109.8P86 E125 L129P86-K88 PolarHBondContact O-N 3.22Å; P86-K88 VanDerWaalsContact O-N 3.1Å; K88-E125 IonicContact NZ-OE1 3.48Å; K88-E125 PolarHBondContact NZ-OE1 2.91Å; K88-E125 IonicContact NZ-OE2 3.16Å; K88-E125 PolarHBondContact NZ-OE2 2.85Å; K88-L129 HydrophobicContact CD-CD2 3.37Å
89V81.3Confident67.1Low132 Ų132121.8 Ų121.880%0.865%0.654SS**PPolyproline II helixtrans-100.7121.7179.4-178.20000109.1V87V87-V89 PolarHBondContact O-N 3.19Å
90F85.2Confident69.6Low62 Ų62120.7 Ų120.727%0.27264%0.642SS.*PPolyproline II helixtrans-94.9118.7169.9-177.9-94.2000109L92 L111 L114 L115 A118 F133F90-L92 HydrophobicContact CD1-CD2 4.19Å; F90-L92 HydrophobicContact CE1-CD2 4.13Å; F90-L111 HydrophobicContact CE1-CD1 3.87Å; F90-L111 HydrophobicContact CZ-CD1 4.36Å; F90-L114 HydrophobicContact CZ-CB 3.92Å; F90-L115 HydrophobicContact CE1-CD2 3.93Å; F90-L115 HydrophobicContact CE1-CG 4.25Å; F90-L115 HydrophobicContact CE2-CD2 3.88Å; F90-L115 HydrophobicContact CE2-CG 4.39Å; F90-L115 HydrophobicContact CZ-CD2 3.53Å; F90-L115 HydrophobicContact CZ-CG 3.73Å; F90-A118 HydrophobicContact CD2-CB 4.29Å; F90-A118 HydrophobicContact CE2-CB 3.89Å; F90-F133 HydrophobicContact CB-CE1 4.26Å; F90-F133 HydrophobicContact CD2-CD1 4.5Å; F90-F133 AromaticContact CD2-CE1 3.64Å; F90-F133 HydrophobicContact CD2-CE1 3.64Å; F90-F133 HydrophobicContact CD2-CZ 4.1Å; F90-F133 HydrophobicContact CE2-CE1 4.28Å; F90-F133 HydrophobicContact CG-CE1 4.09Å
91K86.8Confident71.6Confident159 Ų159119.8 Ų119.869%0.69163%0.631SS**PPolyproline II helixtrans-81.4122.1179.4-170.1-179176.3-171.80109.5
92L87.4Confident73.9Confident88 Ų88116.8 Ų116.846%0.46162%0.619SS.*PPolyproline II helixtrans-72.7154172.3-63.5175.3000110.5F90 L111F90-L92 HydrophobicContact CD1-CD2 4.19Å; F90-L92 HydrophobicContact CE1-CD2 4.13Å; L92-L111 HydrophobicContact CD2-CD1 3.86Å
93P88.7Confident76Confident7 Ų7113.2 Ų113.25%0.04560%0.598CS.*PPolyproline II helixtrans-54.8157.1166.1-17.227.2000111Y107 E110 L111 L114P93-Y107 HydrophobicContact CB-CD2 3.81Å; P93-Y107 HydrophobicContact CB-CE2 3.69Å; P93-Y107 HydrophobicContact CG-CD2 4.31Å; P93-Y107 HydrophobicContact CG-CE2 4.04Å; P93-Y107 WeakPolarHBondContact O-CE2 3.35Å; P93-E110 HydrophobicContact CB-CG 4.21Å; P93-E110 HydrophobicContact CG-CB 4.29Å; P93-E110 HydrophobicContact CG-CG 4.14Å; P93-L111 HydrophobicContact CG-CB 3.9Å; P93-L111 HydrophobicContact CG-CD1 4.32Å; P93-L114 HydrophobicContact CG-CD1 3.86Å
94E84.4Confident78.3Confident159 Ų159110 Ų11074%0.74358%0.575SS**PPolyproline II helixtrans-67.7138175.1-66.9-172.6175.600110.3Y107E94-Y107 WeakPolarHBondContact O-CD2 3.27Å
95F81.1Confident79.9Confident155 Ų155109.2 Ų109.268%0.6856%0.562SS**PPolyproline II helixtrans-64.7133.4177.2-79.7-81.1000109.7V97 Y107F95-V97 PolarHBondContact O-N 3.04Å; F95-Y107 HydrophobicContact CD1-CE2 4.44Å
96P80.8Confident81.5Confident33 Ų33104.8 Ų104.821%0.21455%0.546CS..PPolyproline II helixtrans-64.5134.4177.827.1-33.5000109.7F98 L99P96-F98 PolarHBondContact O-N 3.15Å; P96-L99 HydrophobicContact CG-CD2 4.47Å
97V75.4Confident82.9Confident134 Ų134100.5 Ų100.581%0.81251%0.514SS*.SBendtrans-62.2-25.2179.2-177.10000111.7F95F95-V97 PolarHBondContact O-N 3.04Å
98F78.7Confident84Confident158 Ų15897.8 Ų97.869%0.69349%0.491SS*.SBendtrans-125.4132.1176.8-56.5-77.5000110.9P96 S100 T103P96-F98 PolarHBondContact O-N 3.15Å; F98-S100 VanDerWaalsContact C-N 3.29Å; F98-S100 PolarHBondContact O-N 3.25Å; F98-S100 VanDerWaalsContact O-N 3.12Å; F98-T103 PolarHBondContact O-OG1 3.49Å
99L82.7Confident84.6Confident151 Ų15195 Ų9579%0.79149%0.485SS*.  trans-87.657.7-179.8-63.3174.4000112.1P96 V104P96-L99 HydrophobicContact CG-CD2 4.47Å; L99-V104 HydrophobicContact CD2-CG2 4.3Å
100S86.5Confident85.1Confident51 Ų5193.3 Ų93.336%0.35747%0.468SS..  trans-80.9156168.878.70000110.8F98 H102 T103 V104F98-S100 VanDerWaalsContact C-N 3.29Å; F98-S100 PolarHBondContact O-N 3.25Å; F98-S100 VanDerWaalsContact O-N 3.12Å; S100-H102 VanDerWaalsContact C-N 3.26Å; S100-H102 PolarHBondContact O-N 3.39Å; S100-T103 PolarHBondContact N-OG1 3.21Å; S100-T103 PolarHBondContact O-N 3.29Å; S100-T103 PolarHBondContact O-OG1 3.06Å; S100-T103 WeakPolarHBondContact OG-CB 3.18Å; S100-T103 WeakPolarHBondContact OG-CG2 3.41Å; S100-T103 PolarHBondContact OG-N 2.94Å; S100-T103 VanDerWaalsContact OG-N 3.16Å; S100-T103 PolarHBondContact OG-OG1 2.61Å; S100-V104 VanDerWaalsContact O-CG2 3.31Å; S100-V104 WeakPolarHBondContact O-CG2 3.49Å; S100-V104 PolarHBondContact O-N 3.49Å
101F81.7Confident85.5Confident160 Ų16090.9 Ų90.970%0.70246%0.458SS*.Hα-helixtrans-53.6-44.2176.1179-95.8000112.3V104 Q105F101-V104 PolarHBondContact O-N 2.83Å; F101-Q105 WeakPolarHBondContact O-CB 3.43Å; F101-Q105 PolarHBondContact O-N 3.42Å
102H83.7Confident85.8Confident144 Ų14484.2 Ų84.267%0.66743%0.429SS*.Hα-helixtrans-68.2-39.4-179-64.7-64.4000113.5S100 Q105 A106S100-H102 VanDerWaalsContact C-N 3.26Å; S100-H102 PolarHBondContact O-N 3.39Å; H102-Q105 PolarHBondContact O-N 3.3Å; H102-A106 WeakPolarHBondContact O-CB 3.48Å; H102-A106 PolarHBondContact O-N 3.15Å
103T85.8Confident86Confident49 Ų4986 Ų8630%0.30144%0.436SS..Hα-helixtrans-70.6-34.8178490000111.9F98 S100 Y107F98-T103 PolarHBondContact O-OG1 3.49Å; S100-T103 PolarHBondContact N-OG1 3.21Å; S100-T103 PolarHBondContact O-N 3.29Å; S100-T103 PolarHBondContact O-OG1 3.06Å; S100-T103 WeakPolarHBondContact OG-CB 3.18Å; S100-T103 WeakPolarHBondContact OG-CG2 3.41Å; S100-T103 PolarHBondContact OG-N 2.94Å; S100-T103 VanDerWaalsContact OG-N 3.16Å; S100-T103 PolarHBondContact OG-OG1 2.61Å; T103-Y107 WeakPolarHBondContact O-CB 3.32Å; T103-Y107 PolarHBondContact O-N 3.33Å
104V84.8Confident86.2Confident47 Ų4788.5 Ų88.529%0.28545%0.448SS..Hα-helixtrans-67.9-43173.2173.90000111.2L99 S100 F101 A106 Y107 Y108L99-V104 HydrophobicContact CD2-CG2 4.3Å; S100-V104 VanDerWaalsContact O-CG2 3.31Å; S100-V104 WeakPolarHBondContact O-CG2 3.49Å; S100-V104 PolarHBondContact O-N 3.49Å; F101-V104 PolarHBondContact O-N 2.83Å; V104-A106 VanDerWaalsContact C-N 3.35Å; V104-A106 PolarHBondContact O-N 3.27Å; V104-Y107 WeakPolarHBondContact O-CB 3.16Å; V104-Y107 PolarHBondContact O-N 3.02Å; V104-Y108 HydrophobicContact CG1-CD2 3.85Å; V104-Y108 HydrophobicContact CG1-CE2 3.46Å; V104-Y108 VanDerWaalsContact CG1-CE2 3.46Å; V104-Y108 WeakPolarHBondContact O-CD2 3.35Å; V104-Y108 PolarHBondContact O-N 3.44Å; V104-Y108 VanDerWaalsContact O-N 3.11Å
105Q85.6Confident86.5Confident103 Ų10381 Ų8148%0.48141%0.413SS..Hα-helixtrans-64.1-39.1176-172.4179.71.500112.3F101 H102 Y108 S109F101-Q105 WeakPolarHBondContact O-CB 3.43Å; F101-Q105 PolarHBondContact O-N 3.42Å; H102-Q105 PolarHBondContact O-N 3.3Å; Q105-Y108 PolarHBondContact O-N 2.75Å; Q105-S109 WeakPolarHBondContact O-CB 3.49Å; Q105-S109 PolarHBondContact O-N 3.46Å; Q105-S109 PolarHBondContact O-OG 2.7Å
106A86Confident86.9Confident55 Ų5574.4 Ų74.446%0.45539%0.389SS..Hα-helixtrans-63-45.3174.700000111.5H102 V104 Y108 S109 E110H102-A106 WeakPolarHBondContact O-CB 3.48Å; H102-A106 PolarHBondContact O-N 3.15Å; V104-A106 VanDerWaalsContact C-N 3.35Å; V104-A106 PolarHBondContact O-N 3.27Å; A106-Y108 PolarHBondContact O-N 3.16Å; A106-S109 PolarHBondContact O-N 2.96Å; A106-E110 PolarHBondContact O-N 2.96Å
107Y91.2Very high87.3Confident27 Ų2777.4 Ų77.411%0.10640%0.403CS..Hα-helixtrans-55.7-48.3175.7173.6-89.3000112.2P93 E94 F95 T103 V104 S109 E110 L111P93-Y107 HydrophobicContact CB-CD2 3.81Å; P93-Y107 HydrophobicContact CB-CE2 3.69Å; P93-Y107 HydrophobicContact CG-CD2 4.31Å; P93-Y107 HydrophobicContact CG-CE2 4.04Å; P93-Y107 WeakPolarHBondContact O-CE2 3.35Å; E94-Y107 WeakPolarHBondContact O-CD2 3.27Å; F95-Y107 HydrophobicContact CD1-CE2 4.44Å; T103-Y107 WeakPolarHBondContact O-CB 3.32Å; T103-Y107 PolarHBondContact O-N 3.33Å; V104-Y107 WeakPolarHBondContact O-CB 3.16Å; V104-Y107 PolarHBondContact O-N 3.02Å; Y107-S109 VanDerWaalsContact C-N 3.35Å; Y107-S109 PolarHBondContact O-N 3.27Å; Y107-E110 PolarHBondContact O-N 3.02Å; Y107-L111 HydrophobicContact CE1-CD2 4.23Å; Y107-L111 WeakPolarHBondContact O-CB 3.46Å; Y107-L111 PolarHBondContact O-N 2.68Å
108Y90.8Very high87.8Confident73 Ų7371.6 Ų71.629%0.28637%0.37SS..Hα-helixtrans-67.1-36.1178.6-72.3-59.5000112.9V104 Q105 A106 L111 I112 I140 C144V104-Y108 HydrophobicContact CG1-CD2 3.85Å; V104-Y108 HydrophobicContact CG1-CE2 3.46Å; V104-Y108 VanDerWaalsContact CG1-CE2 3.46Å; V104-Y108 WeakPolarHBondContact O-CD2 3.35Å; V104-Y108 PolarHBondContact O-N 3.44Å; V104-Y108 VanDerWaalsContact O-N 3.11Å; Q105-Y108 PolarHBondContact O-N 2.75Å; A106-Y108 PolarHBondContact O-N 3.16Å; Y108-L111 PolarHBondContact O-N 3.42Å; Y108-I112 WeakPolarHBondContact O-CD1 3.23Å; Y108-I112 VanDerWaalsContact O-CG1 3.25Å; Y108-I112 WeakPolarHBondContact O-CG1 3.42Å; Y108-I112 PolarHBondContact O-N 3.03Å; Y108-I140 HydrophobicContact CD1-CD1 4.16Å; Y108-I140 HydrophobicContact CD1-CG2 3.74Å; Y108-I140 HydrophobicContact CE1-CD1 4.07Å; Y108-I140 HydrophobicContact CG-CG2 4.36Å; Y108-C144 VanDerWaalsContact CB-SG 3.51Å
109S89.1Confident88.2Confident49 Ų4964.5 Ų64.534%0.34334%0.339SS..Hα-helixtrans-64.3-42.7176.5-58.40000111.4Q105 A106 Y107 I112 Q113Q105-S109 WeakPolarHBondContact O-CB 3.49Å; Q105-S109 PolarHBondContact O-N 3.46Å; Q105-S109 PolarHBondContact O-OG 2.7Å; A106-S109 PolarHBondContact O-N 2.96Å; Y107-S109 VanDerWaalsContact C-N 3.35Å; Y107-S109 PolarHBondContact O-N 3.27Å; S109-I112 PolarHBondContact O-N 2.98Å; S109-Q113 PolarHBondContact O-N 2.92Å; S109-Q113 VanDerWaalsContact O-N 3.09Å
110E91.8Very high88.2Confident96 Ų9665 Ų6545%0.44934%0.335SS..Hα-helixtrans-64-44174.1-171.8-179.517100111.4P93 A106 Y107 I112 Q113 L114P93-E110 HydrophobicContact CB-CG 4.21Å; P93-E110 HydrophobicContact CG-CB 4.29Å; P93-E110 HydrophobicContact CG-CG 4.14Å; A106-E110 PolarHBondContact O-N 2.96Å; Y107-E110 PolarHBondContact O-N 3.02Å; E110-I112 VanDerWaalsContact C-N 3.35Å; E110-I112 PolarHBondContact O-N 3.11Å; E110-Q113 WeakPolarHBondContact O-CB 3.38Å; E110-Q113 PolarHBondContact O-N 3.33Å; E110-Q113 VanDerWaalsContact O-N 3.13Å; E110-L114 HydrophobicContact CG-CD1 4.47Å; E110-L114 WeakPolarHBondContact O-CG 3.36Å; E110-L114 PolarHBondContact O-N 3.06Å
111L92.4Very high87.8Confident11 Ų1166.5 Ų66.56%0.05835%0.346CS..Hα-helixtrans-59.7-43.2176.3-178.858.6000112.2F90 L92 P93 Y107 Y108 Q113 L114 L115 I140F90-L111 HydrophobicContact CE1-CD1 3.87Å; F90-L111 HydrophobicContact CZ-CD1 4.36Å; L92-L111 HydrophobicContact CD2-CD1 3.86Å; P93-L111 HydrophobicContact CG-CB 3.9Å; P93-L111 HydrophobicContact CG-CD1 4.32Å; Y107-L111 HydrophobicContact CE1-CD2 4.23Å; Y107-L111 WeakPolarHBondContact O-CB 3.46Å; Y107-L111 PolarHBondContact O-N 2.68Å; Y108-L111 PolarHBondContact O-N 3.42Å; L111-Q113 VanDerWaalsContact C-N 3.31Å; L111-Q113 PolarHBondContact O-N 3.47Å; L111-L114 PolarHBondContact O-N 3.35Å; L111-L115 HydrophobicContact CD1-CD1 4.18Å; L111-L115 HydrophobicContact CD1-CG 4.33Å; L111-L115 HydrophobicContact CG-CD1 4.07Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 3.32Å; L111-I140 HydrophobicContact CD2-CD1 3.76Å; L111-I140 HydrophobicContact CD2-CG1 3.78Å; L111-I140 HydrophobicContact CD2-CG2 4.4Å; L111-I140 HydrophobicContact CG-CG1 4.42Å
112I92.9Very high87.5Confident18 Ų1859.2 Ų59.29%0.09231%0.314CS..Hα-helixtrans-60.6-42.6175.3-70.4161.4000110.5Y108 S109 E110 L115 G116 R137 I140 N141Y108-I112 WeakPolarHBondContact O-CD1 3.23Å; Y108-I112 VanDerWaalsContact O-CG1 3.25Å; Y108-I112 WeakPolarHBondContact O-CG1 3.42Å; Y108-I112 PolarHBondContact O-N 3.03Å; S109-I112 PolarHBondContact O-N 2.98Å; E110-I112 VanDerWaalsContact C-N 3.35Å; E110-I112 PolarHBondContact O-N 3.11Å; I112-L115 PolarHBondContact O-N 3.07Å; I112-G116 PolarHBondContact O-N 3.1Å; I112-R137 HydrophobicContact CG2-CG 4.35Å; I112-I140 HydrophobicContact CD1-CG2 3.99Å; I112-I140 HydrophobicContact CG1-CB 4.35Å; I112-I140 HydrophobicContact CG1-CG2 3.66Å; I112-N141 WeakPolarHBondContact CD1-OD1 3.48Å
113Q92.3Very high86.3Confident126 Ų12656.9 Ų56.959%0.58930%0.304SS*.Hα-helixtrans-65.8-44.9178.8-171.3-179.8-3.100111.9S109 E110 L111 L115 G116 N117S109-Q113 PolarHBondContact O-N 2.92Å; S109-Q113 VanDerWaalsContact O-N 3.09Å; E110-Q113 WeakPolarHBondContact O-CB 3.38Å; E110-Q113 PolarHBondContact O-N 3.33Å; E110-Q113 VanDerWaalsContact O-N 3.13Å; L111-Q113 VanDerWaalsContact C-N 3.31Å; L111-Q113 PolarHBondContact O-N 3.47Å; Q113-L115 PolarHBondContact O-N 3.31Å; Q113-G116 PolarHBondContact O-N 3.19Å; Q113-G116 VanDerWaalsContact O-N 3.16Å; Q113-N117 PolarHBondContact O-N 3.3Å
114L92.1Very high84.8Confident59 Ų5960.7 Ų60.731%0.30933%0.327SS..Hα-helixtrans-62.2-42.8176.2-69.9179.5000111.9F90 P93 E110 L111 G116 N117 A118F90-L114 HydrophobicContact CZ-CB 3.92Å; P93-L114 HydrophobicContact CG-CD1 3.86Å; E110-L114 HydrophobicContact CG-CD1 4.47Å; E110-L114 WeakPolarHBondContact O-CG 3.36Å; E110-L114 PolarHBondContact O-N 3.06Å; L111-L114 PolarHBondContact O-N 3.35Å; L114-G116 VanDerWaalsContact C-N 3.31Å; L114-G116 PolarHBondContact O-N 3.08Å; L114-N117 PolarHBondContact O-N 2.87Å; L114-A118 WeakPolarHBondContact O-CB 3.43Å; L114-A118 PolarHBondContact O-N 3.07Å
115L91.6Very high83.4Confident2 Ų264 Ų641%0.0134%0.339CS..Hα-helixtrans-63.7-38.4173.7-73.8167.8000111.3F90 L111 I112 Q113 A118 I119 F133 L136 R137F90-L115 HydrophobicContact CE1-CD2 3.93Å; F90-L115 HydrophobicContact CE1-CG 4.25Å; F90-L115 HydrophobicContact CE2-CD2 3.88Å; F90-L115 HydrophobicContact CE2-CG 4.39Å; F90-L115 HydrophobicContact CZ-CD2 3.53Å; F90-L115 HydrophobicContact CZ-CG 3.73Å; L111-L115 HydrophobicContact CD1-CD1 4.18Å; L111-L115 HydrophobicContact CD1-CG 4.33Å; L111-L115 HydrophobicContact CG-CD1 4.07Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 3.32Å; I112-L115 PolarHBondContact O-N 3.07Å; Q113-L115 PolarHBondContact O-N 3.31Å; L115-A118 PolarHBondContact O-N 2.93Å; L115-I119 WeakPolarHBondContact O-CB 3.13Å; L115-I119 WeakPolarHBondContact O-CD1 3.36Å; L115-I119 VanDerWaalsContact O-CG1 3.22Å; L115-I119 WeakPolarHBondContact O-CG1 3.36Å; L115-I119 PolarHBondContact O-N 3.39Å; L115-F133 HydrophobicContact CD2-CD1 3.81Å; L115-F133 HydrophobicContact CD2-CE1 4.48Å; L115-L136 HydrophobicContact CD1-CB 4.14Å; L115-L136 HydrophobicContact CD2-CB 4.18Å; L115-L136 HydrophobicContact CD2-CD1 4.44Å; L115-R137 HydrophobicContact CB-CB 4.11Å; L115-R137 HydrophobicContact CB-CG 4.18Å; L115-R137 HydrophobicContact CD1-CB 4.05Å; L115-R137 HydrophobicContact CD1-CG 4.46Å
116G89.8Confident82.6Confident17 Ų1762.4 Ų62.418%0.17533%0.334CS..Hα-helixtrans-61.1-44.2173.700000113.2I112 Q113 L114 I119 F120I112-G116 PolarHBondContact O-N 3.1Å; Q113-G116 PolarHBondContact O-N 3.19Å; Q113-G116 VanDerWaalsContact O-N 3.16Å; L114-G116 VanDerWaalsContact C-N 3.31Å; L114-G116 PolarHBondContact O-N 3.08Å; G116-I119 PolarHBondContact O-N 3.05Å; G116-F120 PolarHBondContact O-N 2.92Å
117N88.6Confident81.8Confident95 Ų9562 Ų6251%0.50833%0.328SS..Hα-helixtrans-64.5-41.1175.5-67.4-15.8000111.5Q113 L114 F120 S121Q113-N117 PolarHBondContact O-N 3.3Å; L114-N117 PolarHBondContact O-N 2.87Å; N117-F120 PolarHBondContact O-N 3.33Å; N117-S121 WeakPolarHBondContact O-CB 3.44Å; N117-S121 PolarHBondContact O-N 3.1Å; N117-S121 PolarHBondContact O-OG 2.93Å
118A86.9Confident81Confident13 Ų1362.8 Ų62.811%0.10734%0.337CS..Hα-helixtrans-62.8-46.1176.200000111.6F90 L114 L115 F120 S121 V122 F133F90-A118 HydrophobicContact CD2-CB 4.29Å; F90-A118 HydrophobicContact CE2-CB 3.89Å; L114-A118 WeakPolarHBondContact O-CB 3.43Å; L114-A118 PolarHBondContact O-N 3.07Å; L115-A118 PolarHBondContact O-N 2.93Å; A118-F120 VanDerWaalsContact C-N 3.31Å; A118-F120 PolarHBondContact O-N 3.38Å; A118-S121 WeakPolarHBondContact CA-OG 3.47Å; A118-S121 PolarHBondContact O-N 3.17Å; A118-S121 PolarHBondContact O-OG 3.09Å; A118-V122 WeakPolarHBondContact O-CB 3.43Å; A118-V122 VanDerWaalsContact O-CG2 3.27Å; A118-V122 WeakPolarHBondContact O-CG2 3.4Å; A118-V122 PolarHBondContact O-N 3.22Å; A118-V122 VanDerWaalsContact O-N 3.11Å; A118-F133 HydrophobicContact CB-CD2 4.12Å; A118-F133 HydrophobicContact CB-CE1 4.33Å; A118-F133 HydrophobicContact CB-CE2 3.85Å; A118-F133 HydrophobicContact CB-CG 4.47Å; A118-F133 HydrophobicContact CB-CZ 3.98Å
119I86.6Confident80.6Confident9 Ų960.5 Ų60.55%0.04633%0.33CS..Hα-helixtrans-57.3-45.4174.8-72.6164.6000110.9L115 G116 S121 V122 Q123 L130 F133 Y134 R137L115-I119 WeakPolarHBondContact O-CB 3.13Å; L115-I119 WeakPolarHBondContact O-CD1 3.36Å; L115-I119 VanDerWaalsContact O-CG1 3.22Å; L115-I119 WeakPolarHBondContact O-CG1 3.36Å; L115-I119 PolarHBondContact O-N 3.39Å; G116-I119 PolarHBondContact O-N 3.05Å; I119-S121 PolarHBondContact O-N 3.12Å; I119-V122 PolarHBondContact O-N 3.43Å; I119-Q123 WeakPolarHBondContact O-CG 3.25Å; I119-L130 HydrophobicContact CB-CD1 4.33Å; I119-L130 HydrophobicContact CG1-CD1 4.34Å; I119-L130 HydrophobicContact CG2-CD1 3.93Å; I119-F133 HydrophobicContact CD1-CB 4.08Å; I119-F133 HydrophobicContact CG1-CB 3.56Å; I119-F133 HydrophobicContact CG1-CG 4.43Å; I119-Y134 HydrophobicContact CD1-CD1 3.9Å; I119-Y134 HydrophobicContact CD1-CE1 4.04Å; I119-Y134 HydrophobicContact CG1-CE1 4.45Å; I119-Y134 HydrophobicContact CG2-CE1 3.81Å; I119-R137 HydrophobicContact CD1-CB 4.35Å; I119-R137 VanDerWaalsContact CD1-CZ 3.4Å
120F82.9Confident80.3Confident160 Ų16059.1 Ų59.170%0.70232%0.318SS*.Hα-helixtrans-62.6-41.6177.8-174.1-97.1000112.2G116 N117 A118 V122G116-F120 PolarHBondContact O-N 2.92Å; N117-F120 PolarHBondContact O-N 3.33Å; A118-F120 VanDerWaalsContact C-N 3.31Å; A118-F120 PolarHBondContact O-N 3.38Å; F120-V122 VanDerWaalsContact C-N 3.33Å; F120-V122 PolarHBondContact O-N 3.46Å
121S78.4Confident80Confident84 Ų8454.5 Ų54.559%0.58730%0.297SS*.Hα-helixtrans-69.1-25.7-179.169.20000114.6N117 A118 I119N117-S121 WeakPolarHBondContact O-CB 3.44Å; N117-S121 PolarHBondContact O-N 3.1Å; N117-S121 PolarHBondContact O-OG 2.93Å; A118-S121 WeakPolarHBondContact CA-OG 3.47Å; A118-S121 PolarHBondContact O-N 3.17Å; A118-S121 PolarHBondContact O-OG 3.09Å; I119-S121 PolarHBondContact O-N 3.12Å
122V74.4Confident79.8Confident7 Ų760.3 Ų60.34%0.04232%0.318CS..Hα-helixtrans-96.7-9.1-170.3172.10000114.1A118 I119 F120 T124 E125 L129 L130 F133A118-V122 WeakPolarHBondContact O-CB 3.43Å; A118-V122 VanDerWaalsContact O-CG2 3.27Å; A118-V122 WeakPolarHBondContact O-CG2 3.4Å; A118-V122 PolarHBondContact O-N 3.22Å; A118-V122 VanDerWaalsContact O-N 3.11Å; I119-V122 PolarHBondContact O-N 3.43Å; F120-V122 VanDerWaalsContact C-N 3.33Å; F120-V122 PolarHBondContact O-N 3.46Å; V122-T124 PolarHBondContact O-N 3.34Å; V122-E125 HydrophobicContact CG1-CB 4.36Å; V122-E125 PolarHBondContact O-N 2.79Å; V122-L129 HydrophobicContact CG1-CB 4.5Å; V122-L129 HydrophobicContact CG1-CD2 4.21Å; V122-L129 HydrophobicContact CG2-CD2 4.1Å; V122-L130 HydrophobicContact CG1-CB 4.25Å; V122-F133 HydrophobicContact CG2-CE2 4.02Å
123Q58.8Low79.7Confident95 Ų9560.2 Ų60.244%0.44432%0.317SS..THydrogen-bonded Turntrans-48.6-26.5-164.4-75-160.445.500117.5I119I119-Q123 WeakPolarHBondContact O-CG 3.25Å
124T54.2Low79.6Confident129 Ų12955.9 Ų55.979%0.79130%0.295SS*.THydrogen-bonded Turntrans-110-5.118051.20000114.8V122V122-T124 PolarHBondContact O-N 3.34Å
125E55Low79.7Confident117 Ų11756.9 Ų56.955%0.54730%0.296SS..THydrogen-bonded Turntrans-81.6-68.3-179.3-73.9-168.99700113.6K88 V122K88-E125 IonicContact NZ-OE1 3.48Å; K88-E125 PolarHBondContact NZ-OE1 2.91Å; K88-E125 IonicContact NZ-OE2 3.16Å; K88-E125 PolarHBondContact NZ-OE2 2.85Å; V122-E125 HydrophobicContact CG1-CB 4.36Å; V122-E125 PolarHBondContact O-N 2.79Å
126N69.4Low79.7Confident68 Ų6860.5 Ų60.536%0.36432%0.315SS..  trans-152.5101.3-149.7-172.1-47.4000110.5S128 L129 L130N126-S128 PolarHBondContact O-N 2.63Å; N126-S128 WeakPolarHBondContact OD1-CB 3.26Å; N126-S128 PolarHBondContact OD1-N 3.17Å; N126-S128 PolarHBondContact OD1-OG 2.95Å; N126-L129 HydrophobicContact CB-CB 4.29Å; N126-L129 PolarHBondContact O-N 3.21Å; N126-L129 PolarHBondContact OD1-N 2.81Å; N126-L129 VanDerWaalsContact OD1-N 3.09Å; N126-L130 PolarHBondContact O-N 2.86Å; N126-L130 VanDerWaalsContact O-N 3.13Å
127S68.6Low80Confident47 Ų4762.3 Ų62.333%0.32932%0.316SS..Hα-helixtrans-60.3-32.1-178.255.20000113.5A131 K555S127-A131 WeakPolarHBondContact O-CB 3.41Å; S127-A131 PolarHBondContact O-N 2.83Å; S127-K555 VanDerWaalsContact OG-CE 3.31Å; S127-K555 WeakPolarHBondContact OG-CE 3.31Å; S127-K555 PolarHBondContact OG-NZ 2.93Å; S127-K555 VanDerWaalsContact OG-NZ 3.13Å
128S74.3Confident80.2Confident43 Ų4357.8 Ų57.830%0.30129%0.292SS..Hα-helixtrans-71.3-34.4-179.180.80000112.8N126 R132N126-S128 PolarHBondContact O-N 2.63Å; N126-S128 WeakPolarHBondContact OD1-CB 3.26Å; N126-S128 PolarHBondContact OD1-N 3.17Å; N126-S128 PolarHBondContact OD1-OG 2.95Å; S128-R132 WeakPolarHBondContact O-CG 3.3Å; S128-R132 PolarHBondContact O-N 2.98Å; S128-R132 PolarHBondContact O-NH1 2.77Å; S128-R132 PolarHBondContact OG-NH1 3.28Å; S128-R132 VanDerWaalsContact OG-NH1 3.15Å
129L81.8Confident80.5Confident25 Ų2561 Ų6113%0.13130%0.304CS..Hα-helixtrans-75.5-40.2176.5-176.169.1000110.7K88 V122 N126 A131 R132 F133K88-L129 HydrophobicContact CD-CD2 3.37Å; V122-L129 HydrophobicContact CG1-CB 4.5Å; V122-L129 HydrophobicContact CG1-CD2 4.21Å; V122-L129 HydrophobicContact CG2-CD2 4.1Å; N126-L129 HydrophobicContact CB-CB 4.29Å; N126-L129 PolarHBondContact O-N 3.21Å; N126-L129 PolarHBondContact OD1-N 2.81Å; N126-L129 VanDerWaalsContact OD1-N 3.09Å; L129-A131 VanDerWaalsContact C-N 3.32Å; L129-A131 PolarHBondContact O-N 3.26Å; L129-R132 PolarHBondContact O-N 3.46Å; L129-F133 HydrophobicContact CD1-CE2 4.08Å; L129-F133 HydrophobicContact CD1-CZ 3.94Å; L129-F133 HydrophobicContact CD2-CE2 3.78Å; L129-F133 HydrophobicContact CD2-CZ 4.17Å; L129-F133 HydrophobicContact CG-CD2 4.12Å; L129-F133 HydrophobicContact CG-CE2 3.55Å; L129-F133 HydrophobicContact CG-CZ 3.93Å; L129-F133 WeakPolarHBondContact O-CD2 3.5Å; L129-F133 PolarHBondContact O-N 2.83Å
130L84.2Confident80.8Confident20 Ų2061.5 Ų61.511%0.10531%0.306CS..Hα-helixtrans-58.7-44.4176.2-173.563.7000111.6I119 V122 N126 R132 F133 Y134 T160I119-L130 HydrophobicContact CB-CD1 4.33Å; I119-L130 HydrophobicContact CG1-CD1 4.34Å; I119-L130 HydrophobicContact CG2-CD1 3.93Å; V122-L130 HydrophobicContact CG1-CB 4.25Å; N126-L130 PolarHBondContact O-N 2.86Å; N126-L130 VanDerWaalsContact O-N 3.13Å; L130-R132 PolarHBondContact O-N 2.73Å; L130-F133 PolarHBondContact O-N 2.74Å; L130-Y134 HydrophobicContact CD1-CD2 4.48Å; L130-Y134 HydrophobicContact CD1-CE2 3.88Å; L130-Y134 HydrophobicContact CD2-CE2 3.9Å; L130-Y134 HydrophobicContact CG-CD2 4.01Å; L130-Y134 HydrophobicContact CG-CE2 3.5Å; L130-Y134 VanDerWaalsContact CG-CE2 3.5Å; L130-Y134 WeakPolarHBondContact O-CD2 3.32Å; L130-Y134 PolarHBondContact O-N 2.94Å; L130-T160 HydrophobicContact CD2-CG2 4.44Å
131A84.4Confident81.3Confident0 Ų054 Ų540%027%0.274CS..Hα-helixtrans-57.7-45.6174.200000112.4S127 L129 F133 Y134 Y135 L157 D161 I164S127-A131 WeakPolarHBondContact O-CB 3.41Å; S127-A131 PolarHBondContact O-N 2.83Å; L129-A131 VanDerWaalsContact C-N 3.32Å; L129-A131 PolarHBondContact O-N 3.26Å; A131-F133 VanDerWaalsContact C-N 3.3Å; A131-F133 PolarHBondContact O-N 2.89Å; A131-Y134 PolarHBondContact O-N 2.71Å; A131-Y135 PolarHBondContact O-N 3.26Å; A131-L157 HydrophobicContact CB-CD1 3.76Å; A131-L157 WeakPolarHBondContact O-CD1 3.32Å; A131-D161 HydrophobicContact CB-CB 3.43Å; A131-D161 VanDerWaalsContact CB-CB 3.43Å; A131-I164 HydrophobicContact CB-CD1 4.18Å
132R89Confident82Confident132 Ų13250.9 Ų50.950%0.49825%0.251SS..Hα-helixtrans-61.1-37.8176.5-67.9176.2-174.6103.5-6.6112.2S128 L129 L130 Y135 L136 I164S128-R132 WeakPolarHBondContact O-CG 3.3Å; S128-R132 PolarHBondContact O-N 2.98Å; S128-R132 PolarHBondContact O-NH1 2.77Å; S128-R132 PolarHBondContact OG-NH1 3.28Å; S128-R132 VanDerWaalsContact OG-NH1 3.15Å; L129-R132 PolarHBondContact O-N 3.46Å; L130-R132 PolarHBondContact O-N 2.73Å; R132-Y135 PolarHBondContact O-N 3.4Å; R132-L136 WeakPolarHBondContact O-CB 3.13Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.37Å; R132-L136 PolarHBondContact O-N 3.25Å; R132-I164 HydrophobicContact CG-CD1 4.4Å
133F90.7Very high82.6Confident17 Ų1754.9 Ų54.98%0.07527%0.272CS..Hα-helixtrans-69.2-40.1175-66.3-41.1000113.1F90 L115 A118 I119 V122 L129 L130 A131 Y135 L136 R137F90-F133 HydrophobicContact CB-CE1 4.26Å; F90-F133 HydrophobicContact CD2-CD1 4.5Å; F90-F133 AromaticContact CD2-CE1 3.64Å; F90-F133 HydrophobicContact CD2-CE1 3.64Å; F90-F133 HydrophobicContact CD2-CZ 4.1Å; F90-F133 HydrophobicContact CE2-CE1 4.28Å; F90-F133 HydrophobicContact CG-CE1 4.09Å; L115-F133 HydrophobicContact CD2-CD1 3.81Å; L115-F133 HydrophobicContact CD2-CE1 4.48Å; A118-F133 HydrophobicContact CB-CD2 4.12Å; A118-F133 HydrophobicContact CB-CE1 4.33Å; A118-F133 HydrophobicContact CB-CE2 3.85Å; A118-F133 HydrophobicContact CB-CG 4.47Å; A118-F133 HydrophobicContact CB-CZ 3.98Å; I119-F133 HydrophobicContact CD1-CB 4.08Å; I119-F133 HydrophobicContact CG1-CB 3.56Å; I119-F133 HydrophobicContact CG1-CG 4.43Å; V122-F133 HydrophobicContact CG2-CE2 4.02Å; L129-F133 HydrophobicContact CD1-CE2 4.08Å; L129-F133 HydrophobicContact CD1-CZ 3.94Å; L129-F133 HydrophobicContact CD2-CE2 3.78Å; L129-F133 HydrophobicContact CD2-CZ 4.17Å; L129-F133 HydrophobicContact CG-CD2 4.12Å; L129-F133 HydrophobicContact CG-CE2 3.55Å; L129-F133 HydrophobicContact CG-CZ 3.93Å; L129-F133 WeakPolarHBondContact O-CD2 3.5Å; L129-F133 PolarHBondContact O-N 2.83Å; L130-F133 PolarHBondContact O-N 2.74Å; A131-F133 VanDerWaalsContact C-N 3.3Å; A131-F133 PolarHBondContact O-N 2.89Å; F133-Y135 VanDerWaalsContact C-N 3.35Å; F133-L136 PolarHBondContact O-N 3.13Å; F133-R137 WeakPolarHBondContact O-CB 3.18Å; F133-R137 PolarHBondContact O-N 3.19Å
134Y90.9Very high84Confident34 Ų3452.5 Ų52.513%0.13327%0.265CS..Hα-helixtrans-61.2-43.2172.5-74-50.7000111.8I119 L130 A131 R137 G138 T160I119-Y134 HydrophobicContact CD1-CD1 3.9Å; I119-Y134 HydrophobicContact CD1-CE1 4.04Å; I119-Y134 HydrophobicContact CG1-CE1 4.45Å; I119-Y134 HydrophobicContact CG2-CE1 3.81Å; L130-Y134 HydrophobicContact CD1-CD2 4.48Å; L130-Y134 HydrophobicContact CD1-CE2 3.88Å; L130-Y134 HydrophobicContact CD2-CE2 3.9Å; L130-Y134 HydrophobicContact CG-CD2 4.01Å; L130-Y134 HydrophobicContact CG-CE2 3.5Å; L130-Y134 VanDerWaalsContact CG-CE2 3.5Å; L130-Y134 WeakPolarHBondContact O-CD2 3.32Å; L130-Y134 PolarHBondContact O-N 2.94Å; A131-Y134 PolarHBondContact O-N 2.71Å; Y134-R137 PolarHBondContact O-N 2.94Å; Y134-G138 PolarHBondContact O-N 3.4Å; Y134-T160 HydrophobicContact CE2-CG2 4.29Å
135Y92.8Very high85.5Confident80 Ų8050.2 Ų50.231%0.31425%0.254SS..Hα-helixtrans-57.9-51.9175-177.1-82.9000111.5A131 R132 F133 G138 F139 L157 I164 P166A131-Y135 PolarHBondContact O-N 3.26Å; R132-Y135 PolarHBondContact O-N 3.4Å; F133-Y135 VanDerWaalsContact C-N 3.35Å; Y135-G138 PolarHBondContact O-N 3.18Å; Y135-F139 WeakPolarHBondContact O-CB 3.43Å; Y135-F139 PolarHBondContact O-N 3.48Å; Y135-L157 HydrophobicContact CD2-CD2 3.81Å; Y135-L157 HydrophobicContact CG-CD2 4.43Å; Y135-I164 VanDerWaalsContact CD2-O 3.22Å; Y135-I164 WeakPolarHBondContact CD2-O 3.23Å; Y135-I164 VanDerWaalsContact CE2-O 3.23Å; Y135-I164 WeakPolarHBondContact CE2-O 3.37Å; Y135-P166 HydrophobicContact CD2-CG 4.32Å; Y135-P166 HydrophobicContact CE2-CB 3.98Å; Y135-P166 HydrophobicContact CE2-CG 3.93Å
136L93.2Very high87.2Confident78 Ų7850 Ų5041%0.40825%0.248SC..Hα-helixtrans-62.6-47-178.7-72.2171.3000111.4L115 R132 F133 F139 I140L115-L136 HydrophobicContact CD1-CB 4.14Å; L115-L136 HydrophobicContact CD2-CB 4.18Å; L115-L136 HydrophobicContact CD2-CD1 4.44Å; R132-L136 WeakPolarHBondContact O-CB 3.13Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.37Å; R132-L136 PolarHBondContact O-N 3.25Å; F133-L136 PolarHBondContact O-N 3.13Å; L136-F139 PolarHBondContact O-N 3.41Å; L136-I140 VanDerWaalsContact O-CG1 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 3.2Å
137R94.1Very high88.2Confident56 Ų5648.8 Ų48.821%0.21124%0.239CC..Hα-helixtrans-66.7-41.6-179.3-164.517668.2-179-3.4111.7I112 L115 I119 F133 Y134 F139 I140 N141 D153I112-R137 HydrophobicContact CG2-CG 4.35Å; L115-R137 HydrophobicContact CB-CB 4.11Å; L115-R137 HydrophobicContact CB-CG 4.18Å; L115-R137 HydrophobicContact CD1-CB 4.05Å; L115-R137 HydrophobicContact CD1-CG 4.46Å; I119-R137 HydrophobicContact CD1-CB 4.35Å; I119-R137 VanDerWaalsContact CD1-CZ 3.4Å; F133-R137 WeakPolarHBondContact O-CB 3.18Å; F133-R137 PolarHBondContact O-N 3.19Å; Y134-R137 PolarHBondContact O-N 2.94Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 3.48Å; R137-I140 PolarHBondContact O-N 2.97Å; R137-N141 VanDerWaalsContact O-CB 3.31Å; R137-N141 WeakPolarHBondContact O-CB 3.42Å; R137-N141 PolarHBondContact O-N 3.34Å; R137-N141 PolarHBondContact O-ND2 3.48Å; R137-D153 WeakPolarHBondContact CG-OD2 3.32Å; R137-D153 IonicContact CZ-OD1 3.05Å; R137-D153 IonicContact CZ-OD2 3.8Å; R137-D153 IonicContact NE-OD1 3.52Å; R137-D153 PolarHBondContact NE-OD1 3.45Å; R137-D153 IonicContact NE-OD2 2.72Å; R137-D153 PolarHBondContact NE-OD2 3.44Å; R137-D153 IonicContact NH2-OD1 3.46Å; R137-D153 PolarHBondContact NH2-OD1 2.91Å
138G94Very high89.2Confident0 Ų047.3 Ų47.30%023%0.227CC..Hα-helixtrans-61-41.2174.600000112.3Y134 Y135 N141 T142 A150 D153 F154Y134-G138 PolarHBondContact O-N 3.4Å; Y135-G138 PolarHBondContact O-N 3.18Å; G138-N141 PolarHBondContact O-N 3.2Å; G138-T142 PolarHBondContact O-N 3.06Å; G138-T142 PolarHBondContact O-OG1 3.02Å; G138-A150 WeakPolarHBondContact O-CB 3.41Å; G138-D153 PolarHBondContact N-OD2 3.29Å; G138-F154 VanDerWaalsContact C-CZ 3.42Å
139F93.5Very high89.9Confident80 Ų8048.6 Ų48.635%0.35123%0.23SC..Hα-helixtrans-64.6-46.7175.1-176.7-104.8000112.4Y135 L136 R137 N141 T142 L143 L169Y135-F139 WeakPolarHBondContact O-CB 3.43Å; Y135-F139 PolarHBondContact O-N 3.48Å; L136-F139 PolarHBondContact O-N 3.41Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 3.48Å; F139-N141 PolarHBondContact O-N 2.81Å; F139-T142 VanDerWaalsContact O-CB 3.26Å; F139-T142 WeakPolarHBondContact O-CB 3.35Å; F139-T142 PolarHBondContact O-N 3.38Å; F139-T142 VanDerWaalsContact O-N 3.16Å; F139-L143 HydrophobicContact CD1-CD1 4.14Å; F139-L143 HydrophobicContact CE1-CD1 3.66Å; F139-L143 HydrophobicContact CE1-CG 4.25Å; F139-L143 HydrophobicContact CZ-CD1 4.16Å; F139-L143 HydrophobicContact CZ-CD2 4.41Å; F139-L143 HydrophobicContact CZ-CG 4.4Å; F139-L143 PolarHBondContact O-N 2.91Å; F139-L169 HydrophobicContact CD2-CD2 4.08Å
140I92.7Very high90.4Very high19 Ų1947.4 Ų47.410%0.09722%0.224CC..Hα-helixtrans-65.2-40177.4-61.2-59.4000111.4Y108 L111 I112 L136 R137 T142 L143 C144Y108-I140 HydrophobicContact CD1-CD1 4.16Å; Y108-I140 HydrophobicContact CD1-CG2 3.74Å; Y108-I140 HydrophobicContact CE1-CD1 4.07Å; Y108-I140 HydrophobicContact CG-CG2 4.36Å; L111-I140 HydrophobicContact CD2-CD1 3.76Å; L111-I140 HydrophobicContact CD2-CG1 3.78Å; L111-I140 HydrophobicContact CD2-CG2 4.4Å; L111-I140 HydrophobicContact CG-CG1 4.42Å; I112-I140 HydrophobicContact CD1-CG2 3.99Å; I112-I140 HydrophobicContact CG1-CB 4.35Å; I112-I140 HydrophobicContact CG1-CG2 3.66Å; L136-I140 VanDerWaalsContact O-CG1 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 3.2Å; R137-I140 PolarHBondContact O-N 2.97Å; I140-T142 VanDerWaalsContact C-N 3.26Å; I140-T142 PolarHBondContact O-N 3.27Å; I140-L143 HydrophobicContact CD1-CD1 4.25Å; I140-L143 PolarHBondContact O-N 3.35Å; I140-C144 PolarHBondContact O-N 3.13Å; I140-C144 PolarHBondContact O-SG 3.32Å
141N93.4Very high90.7Very high4 Ų446.5 Ų46.52%0.02122%0.22CC..Hα-helixtrans-60.1-37.6173.2-82.1-35.2000111.6I112 R137 G138 F139 C144 S145 R146 D149 A150 D153I112-N141 WeakPolarHBondContact CD1-OD1 3.48Å; R137-N141 VanDerWaalsContact O-CB 3.31Å; R137-N141 WeakPolarHBondContact O-CB 3.42Å; R137-N141 PolarHBondContact O-N 3.34Å; R137-N141 PolarHBondContact O-ND2 3.48Å; G138-N141 PolarHBondContact O-N 3.2Å; F139-N141 PolarHBondContact O-N 2.81Å; N141-C144 CarbonylContact O-C 3.55Å; N141-C144 PolarHBondContact O-N 3.42Å; N141-S145 PolarHBondContact O-N 2.95Å; N141-R146 HydrophobicContact CB-CB 4.14Å; N141-R146 PolarHBondContact O-N 2.7Å; N141-D149 HydrophobicContact CB-CB 4.45Å; N141-A150 HydrophobicContact CB-CB 3.81Å; N141-D153 PolarHBondContact ND2-OD2 2.87Å
142T91.7Very high90.9Very high18 Ų1847.7 Ų47.711%0.1123%0.228CC..Hα-helixtrans-61.3-48174.1-56.30000111.4G138 F139 I140 C144 S145 A150 L169 W172 L173G138-T142 PolarHBondContact O-N 3.06Å; G138-T142 PolarHBondContact O-OG1 3.02Å; F139-T142 VanDerWaalsContact O-CB 3.26Å; F139-T142 WeakPolarHBondContact O-CB 3.35Å; F139-T142 PolarHBondContact O-N 3.38Å; F139-T142 VanDerWaalsContact O-N 3.16Å; I140-T142 VanDerWaalsContact C-N 3.26Å; I140-T142 PolarHBondContact O-N 3.27Å; T142-C144 VanDerWaalsContact C-N 3.25Å; T142-C144 PolarHBondContact O-N 2.88Å; T142-S145 PolarHBondContact O-N 3.49Å; T142-S145 VanDerWaalsContact O-N 3.14Å; T142-A150 WeakPolarHBondContact OG1-CB 3.43Å; T142-L169 HydrophobicContact CG2-CD1 4.03Å; T142-W172 HydrophobicContact CG2-CZ3 4.42Å; T142-L173 HydrophobicContact CG2-CD1 4.2Å; T142-L173 HydrophobicContact CG2-CD2 3.79Å; T142-L173 HydrophobicContact CG2-CG 4.2Å
143L88Confident90.9Very high91 Ų9141.6 Ų41.648%0.47621%0.205SC..Hα-helixtrans-61.9-33.8176.6-65.4177.8000112.5F139 I140 S145F139-L143 HydrophobicContact CD1-CD1 4.14Å; F139-L143 HydrophobicContact CE1-CD1 3.66Å; F139-L143 HydrophobicContact CE1-CG 4.25Å; F139-L143 HydrophobicContact CZ-CD1 4.16Å; F139-L143 HydrophobicContact CZ-CD2 4.41Å; F139-L143 HydrophobicContact CZ-CG 4.4Å; F139-L143 PolarHBondContact O-N 2.91Å; I140-L143 HydrophobicContact CD1-CD1 4.25Å; I140-L143 PolarHBondContact O-N 3.35Å; L143-S145 PolarHBondContact O-N 2.94Å
144C88.4Confident90.9Very high44 Ų4440.8 Ų40.830%0.29720%0.201SC..THydrogen-bonded Turntrans-82.79.3178.6-61.80000114Y108 I140 N141 T142 R146Y108-C144 VanDerWaalsContact CB-SG 3.51Å; I140-C144 PolarHBondContact O-N 3.13Å; I140-C144 PolarHBondContact O-SG 3.32Å; N141-C144 CarbonylContact O-C 3.55Å; N141-C144 PolarHBondContact O-N 3.42Å; T142-C144 VanDerWaalsContact C-N 3.25Å; T142-C144 PolarHBondContact O-N 2.88Å; C144-R146 HydrophobicContact CB-CG 4.34Å; C144-R146 PolarHBondContact O-N 2.92Å; C144-R146 VanDerWaalsContact O-N 3.13Å
145S86.4Confident90.6Very high81 Ų8139.9 Ų39.957%0.56620%0.199SC*.THydrogen-bonded Turntrans57.221.3-174.5-59.20000114.6N141 T142 L143 R147N141-S145 PolarHBondContact O-N 2.95Å; T142-S145 PolarHBondContact O-N 3.49Å; T142-S145 VanDerWaalsContact O-N 3.14Å; L143-S145 PolarHBondContact O-N 2.94Å; S145-R147 VanDerWaalsContact C-N 3.27Å; S145-R147 PolarHBondContact O-N 3.41Å; S145-R147 VanDerWaalsContact O-N 3.13Å
146R90.4Very high90.2Very high113 Ų11337.6 Ų37.643%0.42619%0.194SC..  trans-86.566.5172-67.8-174.9167.5-175.4-4.1109.8N141 C144 L148 D149 A150N141-R146 HydrophobicContact CB-CB 4.14Å; N141-R146 PolarHBondContact O-N 2.7Å; C144-R146 HydrophobicContact CB-CG 4.34Å; C144-R146 PolarHBondContact O-N 2.92Å; C144-R146 VanDerWaalsContact O-N 3.13Å; R146-L148 PolarHBondContact O-N 2.98Å; R146-D149 HydrophobicContact CB-CB 4.24Å; R146-D149 PolarHBondContact O-N 2.91Å; R146-A150 WeakPolarHBondContact O-CB 3.29Å; R146-A150 PolarHBondContact O-N 3.04Å
147R90.1Very high89.9Confident42 Ų4233.9 Ų33.916%0.15818%0.175CC..Hα-helixtrans-58.9-43.4-170.4-71.4-179.1-72.2-83.4-6.5113.2S145 A150 L151 L173 S176 L177 E181S145-R147 VanDerWaalsContact C-N 3.27Å; S145-R147 PolarHBondContact O-N 3.41Å; S145-R147 VanDerWaalsContact O-N 3.13Å; R147-A150 PolarHBondContact O-N 3.21Å; R147-L151 WeakPolarHBondContact O-CG 3.47Å; R147-L151 PolarHBondContact O-N 2.77Å; R147-L173 HydrophobicContact CB-CD2 4.43Å; R147-L173 HydrophobicContact CG-CD2 3.96Å; R147-S176 WeakPolarHBondContact CD-OG 3.45Å; R147-L177 HydrophobicContact CB-CD2 3.9Å; R147-E181 IonicContact CZ-OE1 3.4Å; R147-E181 IonicContact CZ-OE2 2.61Å; R147-E181 VanDerWaalsContact CZ-OE2 3.25Å; R147-E181 IonicContact NE-OE1 3.4Å; R147-E181 PolarHBondContact NE-OE1 2.9Å; R147-E181 IonicContact NE-OE2 2.87Å; R147-E181 PolarHBondContact NE-OE2 2.87Å; R147-E181 IonicContact NH2-OE1 2.69Å; R147-E181 PolarHBondContact NH2-OE1 3.4Å; R147-E181 IonicContact NH2-OE2 2.69Å; R147-E181 PolarHBondContact NH2-OE2 2.85Å
148L89.4Confident89.1Confident16 Ų1632.1 Ų32.18%0.08417%0.17CC..Hα-helixtrans-67.3-41.3-179.7-65.3-178000112.8R146 A150 L151 S152 L177 E181 Q184 A185 L191R146-L148 PolarHBondContact O-N 2.98Å; L148-A150 VanDerWaalsContact C-N 3.34Å; L148-L151 PolarHBondContact O-N 3.45Å; L148-S152 PolarHBondContact O-N 3.5Å; L148-S152 PolarHBondContact O-OG 3.47Å; L148-L177 HydrophobicContact CD2-CD2 4.04Å; L148-E181 HydrophobicContact CD1-CB 4.3Å; L148-E181 HydrophobicContact CD1-CG 4.44Å; L148-E181 HydrophobicContact CD2-CB 4.14Å; L148-E181 HydrophobicContact CG-CB 4.26Å; L148-E181 HydrophobicContact CG-CG 4.49Å; L148-Q184 HydrophobicContact CD1-CB 3.96Å; L148-Q184 VanDerWaalsContact CD1-OE1 3.29Å; L148-A185 HydrophobicContact CD2-CB 3.87Å; L148-L191 HydrophobicContact CD2-CD1 4.34Å
149D89.3Confident88.1Confident70 Ų7035 Ų3537%0.37418%0.182SC..Hα-helixtrans-67.3-39177.6-60.1-33.3000110.9N141 R146 S152 D153N141-D149 HydrophobicContact CB-CB 4.45Å; R146-D149 HydrophobicContact CB-CB 4.24Å; R146-D149 PolarHBondContact O-N 2.91Å; D149-S152 PolarHBondContact O-N 3.31Å; D149-D153 PolarHBondContact O-N 3.05Å
150A91.4Very high87.2Confident0 Ų032.4 Ų32.40%017%0.173CC..Hα-helixtrans-60.1-45.9172.900000111.8G138 N141 T142 R146 R147 L148 S152 D153 F154 L173G138-A150 WeakPolarHBondContact O-CB 3.41Å; N141-A150 HydrophobicContact CB-CB 3.81Å; T142-A150 WeakPolarHBondContact OG1-CB 3.43Å; R146-A150 WeakPolarHBondContact O-CB 3.29Å; R146-A150 PolarHBondContact O-N 3.04Å; R147-A150 PolarHBondContact O-N 3.21Å; L148-A150 VanDerWaalsContact C-N 3.34Å; A150-S152 VanDerWaalsContact C-N 3.34Å; A150-S152 PolarHBondContact O-N 3.15Å; A150-D153 PolarHBondContact O-N 3.35Å; A150-F154 HydrophobicContact CB-CD2 4.44Å; A150-F154 HydrophobicContact CB-CE2 4.11Å; A150-F154 WeakPolarHBondContact O-CD2 3.43Å; A150-F154 WeakPolarHBondContact O-CG 3.26Å; A150-F154 PolarHBondContact O-N 3.02Å; A150-L173 HydrophobicContact CB-CD1 4.2Å
151L90.8Very high86.4Confident2 Ų232.8 Ų32.81%0.0118%0.175CC..Hα-helixtrans-64-37.2177.2-72173.8000112.4R147 L148 F154 Q155 V170 L173 V174 L177 L191 L194R147-L151 WeakPolarHBondContact O-CG 3.47Å; R147-L151 PolarHBondContact O-N 2.77Å; L148-L151 PolarHBondContact O-N 3.45Å; L151-F154 PolarHBondContact O-N 3.45Å; L151-Q155 VanDerWaalsContact O-CB 3.25Å; L151-Q155 WeakPolarHBondContact O-CB 3.44Å; L151-Q155 PolarHBondContact O-N 3.3Å; L151-V170 HydrophobicContact CD2-CG1 3.85Å; L151-L173 HydrophobicContact CD2-CB 4Å; L151-L173 HydrophobicContact CD2-CD1 4.44Å; L151-V174 HydrophobicContact CD2-CG2 4.02Å; L151-L177 HydrophobicContact CD1-CD1 3.84Å; L151-L177 HydrophobicContact CD1-CD2 3.94Å; L151-L177 HydrophobicContact CD1-CG 4.24Å; L151-L191 HydrophobicContact CB-CD2 3.84Å; L151-L194 HydrophobicContact CD2-CD2 4.32Å
152S87.9Confident85.4Confident25 Ų2535.2 Ų35.218%0.17519%0.187CC..Hα-helixtrans-65.4-39.9174.1-76.80000112.2L148 D149 A150 Q155 S156L148-S152 PolarHBondContact O-N 3.5Å; L148-S152 PolarHBondContact O-OG 3.47Å; D149-S152 PolarHBondContact O-N 3.31Å; A150-S152 VanDerWaalsContact C-N 3.34Å; A150-S152 PolarHBondContact O-N 3.15Å; S152-Q155 PolarHBondContact O-N 3.07Å; S152-S156 WeakPolarHBondContact O-CB 2.98Å; S152-S156 PolarHBondContact O-N 2.91Å; S152-S156 PolarHBondContact O-OG 3.42Å
153D90.6Very high84.4Confident3 Ų338.3 Ų38.32%0.01622%0.215CC..Hα-helixtrans-64.8-44.3173.6-81.7-33.4000111.8R137 G138 N141 D149 A150 Q155 S156 L157R137-D153 WeakPolarHBondContact CG-OD2 3.32Å; R137-D153 IonicContact CZ-OD1 3.05Å; R137-D153 IonicContact CZ-OD2 3.8Å; R137-D153 IonicContact NE-OD1 3.52Å; R137-D153 PolarHBondContact NE-OD1 3.45Å; R137-D153 IonicContact NE-OD2 2.72Å; R137-D153 PolarHBondContact NE-OD2 3.44Å; R137-D153 IonicContact NH2-OD1 3.46Å; R137-D153 PolarHBondContact NH2-OD1 2.91Å; G138-D153 PolarHBondContact N-OD2 3.29Å; N141-D153 PolarHBondContact ND2-OD2 2.87Å; D149-D153 PolarHBondContact O-N 3.05Å; A150-D153 PolarHBondContact O-N 3.35Å; D153-Q155 VanDerWaalsContact C-N 3.35Å; D153-Q155 PolarHBondContact O-N 3.12Å; D153-S156 WeakPolarHBondContact O-CB 3.42Å; D153-S156 PolarHBondContact O-N 2.68Å; D153-L157 WeakPolarHBondContact O-CB 3.29Å; D153-L157 PolarHBondContact O-N 2.95Å
154F90.4Very high84.2Confident0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-68.4-33.9177.3-66.5-47.9000112.6G138 A150 L151 S156 L157 N158 F165 P166 L169 V170 L173G138-F154 VanDerWaalsContact C-CZ 3.42Å; A150-F154 HydrophobicContact CB-CD2 4.44Å; A150-F154 HydrophobicContact CB-CE2 4.11Å; A150-F154 WeakPolarHBondContact O-CD2 3.43Å; A150-F154 WeakPolarHBondContact O-CG 3.26Å; A150-F154 PolarHBondContact O-N 3.02Å; L151-F154 PolarHBondContact O-N 3.45Å; F154-S156 VanDerWaalsContact C-N 3.34Å; F154-L157 HydrophobicContact CD1-CD2 4.2Å; F154-L157 WeakPolarHBondContact O-CB 3.45Å; F154-L157 PolarHBondContact O-N 3.32Å; F154-N158 WeakPolarHBondContact O-CB 3.44Å; F154-N158 PolarHBondContact O-N 2.91Å; F154-F165 HydrophobicContact CB-CE2 4.08Å; F154-F165 VanDerWaalsContact O-CE2 3.3Å; F154-F165 WeakPolarHBondContact O-CE2 3.34Å; F154-P166 HydrophobicContact CD1-CG 3.69Å; F154-P166 HydrophobicContact CE1-CG 3.46Å; F154-P166 VanDerWaalsContact CE1-CG 3.46Å; F154-P166 HydrophobicContact CG-CG 4.45Å; F154-P166 HydrophobicContact CZ-CG 4.04Å; F154-L169 HydrophobicContact CE2-CD2 4.16Å; F154-L169 HydrophobicContact CZ-CD2 3.71Å; F154-V170 HydrophobicContact CB-CG2 3.82Å; F154-V170 HydrophobicContact CD1-CG2 4.4Å; F154-V170 HydrophobicContact CD2-CG2 3.78Å; F154-V170 HydrophobicContact CE2-CG2 4.47Å; F154-V170 HydrophobicContact CG-CG2 3.74Å; F154-L173 HydrophobicContact CD2-CD1 3.87Å; F154-L173 HydrophobicContact CE2-CD1 3.5Å
155Q84.4Confident83.9Confident16 Ų1636.4 Ų36.48%0.07520%0.2CC..Hα-helixtrans-65.3-40.1172.5-173.5-119.4-5.300111.4L151 S152 D153 L157 N158 K159 E190 L191 L194L151-Q155 VanDerWaalsContact O-CB 3.25Å; L151-Q155 WeakPolarHBondContact O-CB 3.44Å; L151-Q155 PolarHBondContact O-N 3.3Å; S152-Q155 PolarHBondContact O-N 3.07Å; D153-Q155 VanDerWaalsContact C-N 3.35Å; D153-Q155 PolarHBondContact O-N 3.12Å; Q155-L157 VanDerWaalsContact C-N 3.33Å; Q155-N158 PolarHBondContact O-N 3.09Å; Q155-K159 PolarHBondContact O-N 3.48Å; Q155-E190 PolarHBondContact NE2-O 3.39Å; Q155-L191 HydrophobicContact CB-CD2 4.48Å; Q155-L194 HydrophobicContact CB-CD2 4.08Å
156S84.9Confident83.9Confident32 Ų3233.5 Ų33.522%0.22418%0.179CC..Hα-helixtrans-65.3-37172.3-59.20000112.1S152 D153 F154 K159 T160S152-S156 WeakPolarHBondContact O-CB 2.98Å; S152-S156 PolarHBondContact O-N 2.91Å; S152-S156 PolarHBondContact O-OG 3.42Å; D153-S156 WeakPolarHBondContact O-CB 3.42Å; D153-S156 PolarHBondContact O-N 2.68Å; F154-S156 VanDerWaalsContact C-N 3.34Å; S156-K159 PolarHBondContact O-N 3.27Å; S156-T160 PolarHBondContact O-N 3.5Å; S156-T160 PolarHBondContact O-OG1 3.11Å
157L85.4Confident83.5Confident0 Ų032.3 Ų32.30%018%0.184CC..Hα-helixtrans-63.3-46.5172.9177.163000111.7A131 Y135 D153 F154 Q155 K159 T160 D161 I164 F165A131-L157 HydrophobicContact CB-CD1 3.76Å; A131-L157 WeakPolarHBondContact O-CD1 3.32Å; Y135-L157 HydrophobicContact CD2-CD2 3.81Å; Y135-L157 HydrophobicContact CG-CD2 4.43Å; D153-L157 WeakPolarHBondContact O-CB 3.29Å; D153-L157 PolarHBondContact O-N 2.95Å; F154-L157 HydrophobicContact CD1-CD2 4.2Å; F154-L157 WeakPolarHBondContact O-CB 3.45Å; F154-L157 PolarHBondContact O-N 3.32Å; Q155-L157 VanDerWaalsContact C-N 3.33Å; L157-K159 PolarHBondContact O-N 3.08Å; L157-K159 VanDerWaalsContact O-N 3.15Å; L157-T160 WeakPolarHBondContact CA-OG1 3.47Å; L157-T160 PolarHBondContact O-N 3.42Å; L157-T160 PolarHBondContact O-OG1 3.48Å; L157-D161 HydrophobicContact CD1-CB 4.39Å; L157-D161 CarbonylContact O-C 3.59Å; L157-D161 PolarHBondContact O-N 2.96Å; L157-I164 HydrophobicContact CD1-CD1 3.76Å; L157-I164 HydrophobicContact CD1-CG1 3.71Å; L157-I164 HydrophobicContact CD2-CG1 4.29Å; L157-I164 HydrophobicContact CG-CG1 4.45Å; L157-F165 HydrophobicContact CD2-CD2 4.31Å; L157-F165 HydrophobicContact CG-CD2 4.4Å
158N77.6Confident83.2Confident19 Ų1938.5 Ų38.510%0.10222%0.215CC..Hα-helixtrans-57.8-30.4178.5-17542.8000112.3F154 Q155 F165F154-N158 WeakPolarHBondContact O-CB 3.44Å; F154-N158 PolarHBondContact O-N 2.91Å; Q155-N158 PolarHBondContact O-N 3.09Å; N158-F165 HydrophobicContact CB-CD2 3.82Å; N158-F165 HydrophobicContact CB-CE2 3.7Å; N158-F165 HydrophobicContact CB-CZ 4.46Å
159K72.4Confident83.1Confident59 Ų5939.8 Ų39.826%0.25722%0.221SC..Hα-helixtrans-76.8-27173.2-67.2-172.2174.5-156.40113.8Q155 S156 L157 T558 E559Q155-K159 PolarHBondContact O-N 3.48Å; S156-K159 PolarHBondContact O-N 3.27Å; L157-K159 PolarHBondContact O-N 3.08Å; L157-K159 VanDerWaalsContact O-N 3.15Å; K159-T558 WeakPolarHBondContact CE-OG1 3.34Å; K159-T558 PolarHBondContact NZ-OG1 3.14Å; K159-E559 IonicContact NZ-OE1 3.81Å; K159-E559 PolarHBondContact NZ-OE1 3.25Å; K159-E559 IonicContact NZ-OE2 2.64Å; K159-E559 PolarHBondContact NZ-OE2 2.85Å
160T74.8Confident83.1Confident26 Ų2636.4 Ų36.416%0.1620%0.203CC..Hα-helixtrans-103.2-40.1-16945.40000114.8L130 Y134 S156 L157 N554L130-T160 HydrophobicContact CD2-CG2 4.44Å; Y134-T160 HydrophobicContact CE2-CG2 4.29Å; S156-T160 PolarHBondContact O-N 3.5Å; S156-T160 PolarHBondContact O-OG1 3.11Å; L157-T160 WeakPolarHBondContact CA-OG1 3.47Å; L157-T160 PolarHBondContact O-N 3.42Å; L157-T160 PolarHBondContact O-OG1 3.48Å; T160-N554 CarbonylContact C-O 3.58Å; T160-N554 VanDerWaalsContact O-O 3.11Å
161D76.7Confident82.8Confident28 Ų2837.3 Ų37.315%0.1521%0.211CC..  trans-156.9107.2176.4-167.4-19.8000111.1A131 L157 A163 I164 N554A131-D161 HydrophobicContact CB-CB 3.43Å; A131-D161 VanDerWaalsContact CB-CB 3.43Å; L157-D161 HydrophobicContact CD1-CB 4.39Å; L157-D161 CarbonylContact O-C 3.59Å; L157-D161 PolarHBondContact O-N 2.96Å; D161-A163 VanDerWaalsContact OD1-CB 3.3Å; D161-A163 WeakPolarHBondContact OD1-CB 3.13Å; D161-A163 PolarHBondContact OD1-N 3.26Å; D161-I164 HydrophobicContact CB-CG1 4.31Å; D161-N554 VanDerWaalsContact CA-O 3.3Å; D161-N554 WeakPolarHBondContact CA-O 3.25Å; D161-N554 PolarHBondContact N-O 2.86Å
162M71.8Confident82.6Confident55 Ų5544.7 Ų44.727%0.27124%0.239SC..SBendtrans-74.8-22176.7-71.9-158.8-5600114I164 F165 C553 Q556M162-I164 PolarHBondContact O-N 3.38Å; M162-F165 WeakPolarHBondContact O-CB 3.25Å; M162-F165 PolarHBondContact O-N 3.47Å; M162-F165 VanDerWaalsContact O-N 3.1Å; M162-C553 HydrophobicContact CE-CB 3.95Å; M162-C553 WeakPolarHBondContact CE-O 3.23Å; M162-Q556 PolarHBondContact SD-NE2 2.98Å
163A72Confident82.6Confident83 Ų8343.6 Ų43.669%0.68623%0.23SC*.THydrogen-bonded Turntrans-66.4-27.9-172.700000112.3D161D161-A163 VanDerWaalsContact OD1-CB 3.3Å; D161-A163 WeakPolarHBondContact OD1-CB 3.13Å; D161-A163 PolarHBondContact OD1-N 3.26Å
164I82.4Confident82.4Confident60 Ų6043.9 Ų43.931%0.30823%0.232SC..THydrogen-bonded Turntrans-103.28.4176.967.2173.9000112.9A131 R132 Y135 L157 D161 M162 P166A131-I164 HydrophobicContact CB-CD1 4.18Å; R132-I164 HydrophobicContact CG-CD1 4.4Å; Y135-I164 VanDerWaalsContact CD2-O 3.22Å; Y135-I164 WeakPolarHBondContact CD2-O 3.23Å; Y135-I164 VanDerWaalsContact CE2-O 3.23Å; Y135-I164 WeakPolarHBondContact CE2-O 3.37Å; L157-I164 HydrophobicContact CD1-CD1 3.76Å; L157-I164 HydrophobicContact CD1-CG1 3.71Å; L157-I164 HydrophobicContact CD2-CG1 4.29Å; L157-I164 HydrophobicContact CG-CG1 4.45Å; D161-I164 HydrophobicContact CB-CG1 4.31Å; M162-I164 PolarHBondContact O-N 3.38Å; I164-P166 WeakPolarHBondContact O-CD 3.2Å
165F83.3Confident82.2Confident34 Ų3449.4 Ų49.415%0.14926%0.262CS..  trans-67.6122.1-177.5-176.4-100.3000111.2F154 L157 N158 M162 T167 V170 L194F154-F165 HydrophobicContact CB-CE2 4.08Å; F154-F165 VanDerWaalsContact O-CE2 3.3Å; F154-F165 WeakPolarHBondContact O-CE2 3.34Å; L157-F165 HydrophobicContact CD2-CD2 4.31Å; L157-F165 HydrophobicContact CG-CD2 4.4Å; N158-F165 HydrophobicContact CB-CD2 3.82Å; N158-F165 HydrophobicContact CB-CE2 3.7Å; N158-F165 HydrophobicContact CB-CZ 4.46Å; M162-F165 WeakPolarHBondContact O-CB 3.25Å; M162-F165 PolarHBondContact O-N 3.47Å; M162-F165 VanDerWaalsContact O-N 3.1Å; F165-T167 PolarHBondContact O-N 2.83Å; F165-V170 HydrophobicContact CE1-CB 4.46Å; F165-V170 HydrophobicContact CE1-CG2 4.2Å; F165-V170 HydrophobicContact CE2-CG2 4.04Å; F165-V170 HydrophobicContact CZ-CB 4.09Å; F165-V170 HydrophobicContact CZ-CG1 4.11Å; F165-V170 HydrophobicContact CZ-CG2 3.68Å; F165-L194 HydrophobicContact CZ-CD1 4.29Å
166P86.6Confident82.3Confident20 Ų2050.4 Ų50.413%0.1327%0.271CS..  trans-86.572.5-172.133.8-33.7000111.8Y135 F154 I164 H168 L169 V170Y135-P166 HydrophobicContact CD2-CG 4.32Å; Y135-P166 HydrophobicContact CE2-CB 3.98Å; Y135-P166 HydrophobicContact CE2-CG 3.93Å; F154-P166 HydrophobicContact CD1-CG 3.69Å; F154-P166 HydrophobicContact CE1-CG 3.46Å; F154-P166 VanDerWaalsContact CE1-CG 3.46Å; F154-P166 HydrophobicContact CG-CG 4.45Å; F154-P166 HydrophobicContact CZ-CG 4.04Å; I164-P166 WeakPolarHBondContact O-CD 3.2Å; P166-H168 VanDerWaalsContact C-N 3.35Å; P166-H168 PolarHBondContact O-N 2.6Å; P166-L169 HydrophobicContact CB-CB 3.94Å; P166-L169 HydrophobicContact CB-CD2 4.33Å; P166-L169 HydrophobicContact CG-CB 4.39Å; P166-L169 HydrophobicContact CG-CD2 4.31Å; P166-L169 WeakPolarHBondContact O-CB 3.36Å; P166-L169 PolarHBondContact O-N 2.59Å; P166-V170 HydrophobicContact CG-CG2 4.17Å; P166-V170 WeakPolarHBondContact O-CG2 3.45Å; P166-V170 PolarHBondContact O-N 3.41Å
167T81.9Confident82.5Confident88 Ų8849.9 Ų49.954%0.5427%0.265SS..Hα-helixtrans-48.7-48.4-172.3-48.90000114F165 L169 V170 A171F165-T167 PolarHBondContact O-N 2.83Å; T167-L169 PolarHBondContact O-N 3.5Å; T167-V170 PolarHBondContact O-N 3.1Å; T167-A171 WeakPolarHBondContact O-CB 3.33Å; T167-A171 PolarHBondContact O-N 2.86Å
168H83.7Confident82.6Confident172 Ų17255.3 Ų55.380%0.79629%0.291SS*.Hα-helixtrans-65.6-36.8-180-67-65.1000113.2P166 W172P166-H168 VanDerWaalsContact C-N 3.35Å; P166-H168 PolarHBondContact O-N 2.6Å; H168-W172 WeakPolarHBondContact O-CB 3.47Å; H168-W172 PolarHBondContact O-N 3.39Å
169L86.7Confident82.7Confident43 Ų4362.3 Ų62.323%0.22532%0.323CS..Hα-helixtrans-68.4-42177.5-177.563000110.8F139 T142 F154 P166 T167 W172 L173F139-L169 HydrophobicContact CD2-CD2 4.08Å; T142-L169 HydrophobicContact CG2-CD1 4.03Å; F154-L169 HydrophobicContact CE2-CD2 4.16Å; F154-L169 HydrophobicContact CZ-CD2 3.71Å; P166-L169 HydrophobicContact CB-CB 3.94Å; P166-L169 HydrophobicContact CB-CD2 4.33Å; P166-L169 HydrophobicContact CG-CB 4.39Å; P166-L169 HydrophobicContact CG-CD2 4.31Å; P166-L169 WeakPolarHBondContact O-CB 3.36Å; P166-L169 PolarHBondContact O-N 2.59Å; T167-L169 PolarHBondContact O-N 3.5Å; L169-W172 PolarHBondContact O-N 2.94Å; L169-L173 HydrophobicContact CG-CD1 4.32Å; L169-L173 WeakPolarHBondContact O-CB 3.38Å; L169-L173 WeakPolarHBondContact O-CG 3.17Å; L169-L173 PolarHBondContact O-N 3.3Å
170V88.3Confident83.3Confident0 Ų066.2 Ų66.20%034%0.342CS..Hα-helixtrans-68.3-41.3179.3-174.50000110.8L151 F154 F165 P166 T167 W172 L173 V174 L194 I198L151-V170 HydrophobicContact CD2-CG1 3.85Å; F154-V170 HydrophobicContact CB-CG2 3.82Å; F154-V170 HydrophobicContact CD1-CG2 4.4Å; F154-V170 HydrophobicContact CD2-CG2 3.78Å; F154-V170 HydrophobicContact CE2-CG2 4.47Å; F154-V170 HydrophobicContact CG-CG2 3.74Å; F165-V170 HydrophobicContact CE1-CB 4.46Å; F165-V170 HydrophobicContact CE1-CG2 4.2Å; F165-V170 HydrophobicContact CE2-CG2 4.04Å; F165-V170 HydrophobicContact CZ-CB 4.09Å; F165-V170 HydrophobicContact CZ-CG1 4.11Å; F165-V170 HydrophobicContact CZ-CG2 3.68Å; P166-V170 HydrophobicContact CG-CG2 4.17Å; P166-V170 WeakPolarHBondContact O-CG2 3.45Å; P166-V170 PolarHBondContact O-N 3.41Å; T167-V170 PolarHBondContact O-N 3.1Å; V170-W172 PolarHBondContact O-N 3.18Å; V170-L173 WeakPolarHBondContact O-CB 3.35Å; V170-L173 PolarHBondContact O-N 3Å; V170-V174 WeakPolarHBondContact O-CG2 3.42Å; V170-V174 PolarHBondContact O-N 3.03Å; V170-L194 HydrophobicContact CG1-CD2 4.08Å; V170-I198 HydrophobicContact CB-CD1 4.39Å; V170-I198 HydrophobicContact CG1-CD1 3.47Å; V170-I198 VanDerWaalsContact CG1-CD1 3.47Å
171A85.5Confident83.8Confident18 Ų1866.3 Ų66.315%0.14934%0.341CS..Hα-helixtrans-58.1-48.8173.600000111.3T167 L173 V174 D175 I198T167-A171 WeakPolarHBondContact O-CB 3.33Å; T167-A171 PolarHBondContact O-N 2.86Å; A171-L173 VanDerWaalsContact C-N 3.34Å; A171-L173 PolarHBondContact O-N 3.21Å; A171-V174 PolarHBondContact O-N 2.67Å; A171-D175 PolarHBondContact O-N 3.36Å; A171-I198 HydrophobicContact CB-CG2 4.29Å
172W87.6Confident84.1Confident158 Ų15867.3 Ų67.360%0.59835%0.345SS*.Hα-helixtrans-60.1-41.7175.518085.5000112.7T142 H168 L169 V170 V174 D175 S176T142-W172 HydrophobicContact CG2-CZ3 4.42Å; H168-W172 WeakPolarHBondContact O-CB 3.47Å; H168-W172 PolarHBondContact O-N 3.39Å; L169-W172 PolarHBondContact O-N 2.94Å; V170-W172 PolarHBondContact O-N 3.18Å; W172-V174 PolarHBondContact O-N 3.34Å; W172-D175 PolarHBondContact O-N 2.78Å; W172-S176 VanDerWaalsContact O-CB 3.29Å; W172-S176 WeakPolarHBondContact O-CB 3.29Å; W172-S176 PolarHBondContact O-N 2.91Å; W172-S176 PolarHBondContact O-OG 3.2Å
173L87.9Confident84.4Confident1 Ų170.8 Ų70.81%0.00536%0.361CS..Hα-helixtrans-61-44.6177-84.6169.5000112T142 R147 A150 L151 F154 L169 V170 A171 D175 S176 L177T142-L173 HydrophobicContact CG2-CD1 4.2Å; T142-L173 HydrophobicContact CG2-CD2 3.79Å; T142-L173 HydrophobicContact CG2-CG 4.2Å; R147-L173 HydrophobicContact CB-CD2 4.43Å; R147-L173 HydrophobicContact CG-CD2 3.96Å; A150-L173 HydrophobicContact CB-CD1 4.2Å; L151-L173 HydrophobicContact CD2-CB 4Å; L151-L173 HydrophobicContact CD2-CD1 4.44Å; F154-L173 HydrophobicContact CD2-CD1 3.87Å; F154-L173 HydrophobicContact CE2-CD1 3.5Å; L169-L173 HydrophobicContact CG-CD1 4.32Å; L169-L173 WeakPolarHBondContact O-CB 3.38Å; L169-L173 WeakPolarHBondContact O-CG 3.17Å; L169-L173 PolarHBondContact O-N 3.3Å; V170-L173 WeakPolarHBondContact O-CB 3.35Å; V170-L173 PolarHBondContact O-N 3Å; A171-L173 VanDerWaalsContact C-N 3.34Å; A171-L173 PolarHBondContact O-N 3.21Å; L173-D175 VanDerWaalsContact C-N 3.35Å; L173-S176 WeakPolarHBondContact CA-OG 3.33Å; L173-S176 PolarHBondContact O-N 2.95Å; L173-S176 PolarHBondContact O-OG 3.25Å; L173-L177 PolarHBondContact O-N 3.46Å
174V87.1Confident85Confident9 Ų971.4 Ų71.46%0.05535%0.35CS..Hα-helixtrans-60.8-45176.3164.50000111.1L151 V170 A171 W172 S176 L177 L195 I198L151-V174 HydrophobicContact CD2-CG2 4.02Å; V170-V174 WeakPolarHBondContact O-CG2 3.42Å; V170-V174 PolarHBondContact O-N 3.03Å; A171-V174 PolarHBondContact O-N 2.67Å; W172-V174 PolarHBondContact O-N 3.34Å; V174-S176 PolarHBondContact O-N 3.29Å; V174-L177 PolarHBondContact O-N 3.41Å; V174-L195 HydrophobicContact CB-CD2 4.16Å; V174-L195 HydrophobicContact CG1-CD2 3.5Å; V174-L195 VanDerWaalsContact CG1-CD2 3.5Å; V174-L195 HydrophobicContact CG2-CD2 3.73Å; V174-I198 HydrophobicContact CG1-CG2 4.43Å; V174-I198 HydrophobicContact CG2-CD1 3.73Å
175D85Confident84.8Confident116 Ų11668.6 Ų68.662%0.6234%0.335SS*.Hα-helixtrans-67.3-25177.8-66.3-20.7000112.3A171 W172 L173A171-D175 PolarHBondContact O-N 3.36Å; W172-D175 PolarHBondContact O-N 2.78Å; L173-D175 VanDerWaalsContact C-N 3.35Å
176S87.3Confident84.4Confident37 Ų3771.4 Ų71.426%0.25935%0.349SS..THydrogen-bonded Turntrans-86.9-3.8179.878.10000115.3R147 W172 L173 V174R147-S176 WeakPolarHBondContact CD-OG 3.45Å; W172-S176 VanDerWaalsContact O-CB 3.29Å; W172-S176 WeakPolarHBondContact O-CB 3.29Å; W172-S176 PolarHBondContact O-N 2.91Å; W172-S176 PolarHBondContact O-OG 3.2Å; L173-S176 WeakPolarHBondContact CA-OG 3.33Å; L173-S176 PolarHBondContact O-N 2.95Å; L173-S176 PolarHBondContact O-OG 3.25Å; V174-S176 PolarHBondContact O-N 3.29Å
177L87.8Confident83.9Confident21 Ų2175.9 Ų75.911%0.1138%0.376CS..  trans-66.1134.7-178.1-72.1173.9000111.8R147 L148 L151 L173 V174 E181 L182 L195R147-L177 HydrophobicContact CB-CD2 3.9Å; L148-L177 HydrophobicContact CD2-CD2 4.04Å; L151-L177 HydrophobicContact CD1-CD1 3.84Å; L151-L177 HydrophobicContact CD1-CD2 3.94Å; L151-L177 HydrophobicContact CD1-CG 4.24Å; L173-L177 PolarHBondContact O-N 3.46Å; V174-L177 PolarHBondContact O-N 3.41Å; L177-E181 HydrophobicContact CD2-CB 4.02Å; L177-L182 HydrophobicContact CD1-CD1 4.5Å; L177-L195 HydrophobicContact CD1-CD2 3.98Å
178Q88.1Confident83.6Confident114 Ų11476.2 Ų76.253%0.53337%0.368SS..  trans-74.3159.7171.4-62.1-178.5-7.400110.9E180 E181 L182Q178-E180 VanDerWaalsContact C-N 3.28Å; Q178-E180 PolarHBondContact O-N 3.45Å; Q178-E181 HydrophobicContact CB-CG 4.36Å; Q178-E181 PolarHBondContact N-OE2 2.85Å; Q178-E181 PolarHBondContact O-N 3.07Å; Q178-E181 VanDerWaalsContact O-N 3.11Å; Q178-L182 WeakPolarHBondContact O-CB 3.47Å; Q178-L182 PolarHBondContact O-N 2.92Å
179Q80.6Confident82.7Confident166 Ų16672.9 Ų72.978%0.77636%0.361SS*.Hα-helixtrans-57.4-39-177-75.8-170.1-1500113.4L182 Q183Q179-L182 PolarHBondContact O-N 3.27Å; Q179-Q183 WeakPolarHBondContact O-CG 3.38Å; Q179-Q183 PolarHBondContact O-N 3.19Å; Q179-Q183 VanDerWaalsContact O-N 3.09Å
180E84.3Confident81.8Confident141 Ų14175.7 Ų75.766%0.65937%0.373SS*.Hα-helixtrans-66-43.1176.8-64-179.5-176.500111.9Q178 L182 Q183 Q184Q178-E180 VanDerWaalsContact C-N 3.28Å; Q178-E180 PolarHBondContact O-N 3.45Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 2.8Å; E180-Q183 PolarHBondContact O-N 2.86Å; E180-Q184 WeakPolarHBondContact O-CG 3.43Å; E180-Q184 PolarHBondContact O-N 3.14Å
181E84.8Confident81.4Confident29 Ų2975.8 Ų75.814%0.13637%0.373CS..Hα-helixtrans-67.5-35.5176.9-62.9175.7137.500111.7R147 L148 L177 Q178 Q184 A185R147-E181 IonicContact CZ-OE1 3.4Å; R147-E181 IonicContact CZ-OE2 2.61Å; R147-E181 VanDerWaalsContact CZ-OE2 3.25Å; R147-E181 IonicContact NE-OE1 3.4Å; R147-E181 PolarHBondContact NE-OE1 2.9Å; R147-E181 IonicContact NE-OE2 2.87Å; R147-E181 PolarHBondContact NE-OE2 2.87Å; R147-E181 IonicContact NH2-OE1 2.69Å; R147-E181 PolarHBondContact NH2-OE1 3.4Å; R147-E181 IonicContact NH2-OE2 2.69Å; R147-E181 PolarHBondContact NH2-OE2 2.85Å; L148-E181 HydrophobicContact CD1-CB 4.3Å; L148-E181 HydrophobicContact CD1-CG 4.44Å; L148-E181 HydrophobicContact CD2-CB 4.14Å; L148-E181 HydrophobicContact CG-CB 4.26Å; L148-E181 HydrophobicContact CG-CG 4.49Å; L177-E181 HydrophobicContact CD2-CB 4.02Å; Q178-E181 HydrophobicContact CB-CG 4.36Å; Q178-E181 PolarHBondContact N-OE2 2.85Å; Q178-E181 PolarHBondContact O-N 3.07Å; Q178-E181 VanDerWaalsContact O-N 3.11Å; E181-Q184 CarbonylContact O-C 3.29Å; E181-Q184 PolarHBondContact O-N 3.35Å; E181-A185 VanDerWaalsContact O-CB 3.29Å; E181-A185 WeakPolarHBondContact O-CB 3.38Å; E181-A185 PolarHBondContact O-N 2.66Å
182L82.8Confident80.8Confident48 Ų4880.9 Ų80.925%0.25139%0.392SS..Hα-helixtrans-63.6-42.8175.6-167.9108.2000110.9L177 Q178 Q179 E180 A185 Q186L177-L182 HydrophobicContact CD1-CD1 4.5Å; Q178-L182 WeakPolarHBondContact O-CB 3.47Å; Q178-L182 PolarHBondContact O-N 2.92Å; Q179-L182 PolarHBondContact O-N 3.27Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 2.8Å; L182-A185 PolarHBondContact O-N 2.88Å; L182-Q186 WeakPolarHBondContact O-CB 3.43Å; L182-Q186 VanDerWaalsContact O-CG 3.22Å; L182-Q186 WeakPolarHBondContact O-CG 3.43Å; L182-Q186 PolarHBondContact O-N 3.24Å
183Q80Confident79.7Confident128 Ų12877 Ų7760%0.59839%0.389SS*.Hα-helixtrans-63.7-43.6173.6-71-179.45.300111.2Q179 E180 A185 Q186 T187Q179-Q183 WeakPolarHBondContact O-CG 3.38Å; Q179-Q183 PolarHBondContact O-N 3.19Å; Q179-Q183 VanDerWaalsContact O-N 3.09Å; E180-Q183 PolarHBondContact O-N 2.86Å; Q183-A185 VanDerWaalsContact C-N 3.34Å; Q183-A185 PolarHBondContact O-N 2.69Å; Q183-Q186 PolarHBondContact O-N 3.32Å; Q183-T187 WeakPolarHBondContact O-CG2 3.31Å; Q183-T187 PolarHBondContact O-N 3.34Å; Q183-T187 VanDerWaalsContact O-N 3.15Å
184Q83.1Confident79Confident97 Ų9777.3 Ų77.345%0.45339%0.391SS..Hα-helixtrans-65-34.6175.8-70.5178.312.900113.1L148 E180 E181 T187L148-Q184 HydrophobicContact CD1-CB 3.96Å; L148-Q184 VanDerWaalsContact CD1-OE1 3.29Å; E180-Q184 WeakPolarHBondContact O-CG 3.43Å; E180-Q184 PolarHBondContact O-N 3.14Å; E181-Q184 CarbonylContact O-C 3.29Å; E181-Q184 PolarHBondContact O-N 3.35Å; Q184-T187 PolarHBondContact O-OG1 3.13Å
185A79.7Confident78.5Confident0 Ų077.5 Ų77.50%039%0.391CS..Hα-helixtrans-71.7-34175.300000111.5L148 E181 L182 Q183 T187 R188 L191 K192 L195L148-A185 HydrophobicContact CD2-CB 3.87Å; E181-A185 VanDerWaalsContact O-CB 3.29Å; E181-A185 WeakPolarHBondContact O-CB 3.38Å; E181-A185 PolarHBondContact O-N 2.66Å; L182-A185 PolarHBondContact O-N 2.88Å; Q183-A185 VanDerWaalsContact C-N 3.34Å; Q183-A185 PolarHBondContact O-N 2.69Å; A185-T187 VanDerWaalsContact C-N 3.34Å; A185-R188 PolarHBondContact O-N 2.95Å; A185-R188 VanDerWaalsContact O-O 3.04Å; A185-L191 HydrophobicContact CB-CB 4.19Å; A185-L191 HydrophobicContact CB-CD1 4.14Å; A185-K192 PolarHBondContact O-N 3.16Å; A185-L195 HydrophobicContact CB-CD1 3.62Å
186Q74.9Confident77.6Confident93 Ų9378.7 Ų78.744%0.43539%0.391SS..Hα-helixtrans-70.1-26.7176-75.4174.96.900113.6L182 Q183 R188L182-Q186 WeakPolarHBondContact O-CB 3.43Å; L182-Q186 VanDerWaalsContact O-CG 3.22Å; L182-Q186 WeakPolarHBondContact O-CG 3.43Å; L182-Q186 PolarHBondContact O-N 3.24Å; Q183-Q186 PolarHBondContact O-N 3.32Å; Q186-R188 VanDerWaalsContact C-N 3.34Å
187T75.6Confident76.6Confident114 Ų11480.8 Ų80.870%0.69940%0.396SS*.Hα-helixtrans-77.9-19.5173.958.40000112.9Q183 Q184 A185Q183-T187 WeakPolarHBondContact O-CG2 3.31Å; Q183-T187 PolarHBondContact O-N 3.34Å; Q183-T187 VanDerWaalsContact O-N 3.15Å; Q184-T187 PolarHBondContact O-OG1 3.13Å; A185-T187 VanDerWaalsContact C-N 3.34Å
188R75.2Confident75.7Confident96 Ų9680.5 Ų80.536%0.36239%0.394SS..SBendtrans-89.4114.6174.4-64.5-177.8-169.7-174.63.4110A185 Q186 E190 L191 K192A185-R188 PolarHBondContact O-N 2.95Å; A185-R188 VanDerWaalsContact O-O 3.04Å; Q186-R188 VanDerWaalsContact C-N 3.34Å; R188-E190 PolarHBondContact O-N 2.88Å; R188-L191 HydrophobicContact CB-CB 4.25Å; R188-L191 HydrophobicContact CB-CD1 4.36Å; R188-L191 HydrophobicContact CB-CG 4.23Å; R188-L191 PolarHBondContact O-N 3.48Å; R188-L191 VanDerWaalsContact O-N 3.15Å; R188-K192 WeakPolarHBondContact O-CB 3.44Å; R188-K192 PolarHBondContact O-N 3.4Å
189P65.2Low74.5Confident102 Ų10280.4 Ų80.466%0.66239%0.392SS*.Hα-helixtrans-60.3-37.2-173.223.1-32.8000112.6S193P189-S193 PolarHBondContact O-N 3.5Å
190E68.1Low73.2Confident102 Ų10276.7 Ų76.748%0.47738%0.376SS..Hα-helixtrans-56.4-47.9175.2-76.4169.7-157.500113.8Q155 R188Q155-E190 PolarHBondContact NE2-O 3.39Å; R188-E190 PolarHBondContact O-N 2.88Å
191L78.3Confident71.7Confident1 Ų173.5 Ų73.51%0.00536%0.363CS..Hα-helixtrans-80.7-33.8-179.6-63.3-173.7000112.1L148 L151 Q155 A185 R188 S193 L194 L195L148-L191 HydrophobicContact CD2-CD1 4.34Å; L151-L191 HydrophobicContact CB-CD2 3.84Å; Q155-L191 HydrophobicContact CB-CD2 4.48Å; A185-L191 HydrophobicContact CB-CB 4.19Å; A185-L191 HydrophobicContact CB-CD1 4.14Å; R188-L191 HydrophobicContact CB-CB 4.25Å; R188-L191 HydrophobicContact CB-CD1 4.36Å; R188-L191 HydrophobicContact CB-CG 4.23Å; R188-L191 PolarHBondContact O-N 3.48Å; R188-L191 VanDerWaalsContact O-N 3.15Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 3.43Å; L191-L194 PolarHBondContact O-N 3.3Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 WeakPolarHBondContact O-CG 3.22Å; L191-L195 PolarHBondContact O-N 3.48Å
192K72.8Confident70Confident126 Ų12677 Ų7755%0.54838%0.383SS..Hα-helixtrans-56.7-42.3174.6-172.9-178.3-178.7177.40111.7A185 R188 F196A185-K192 PolarHBondContact O-N 3.16Å; R188-K192 WeakPolarHBondContact O-CB 3.44Å; R188-K192 PolarHBondContact O-N 3.4Å; K192-F196 PolarHBondContact O-N 3.06Å; K192-F196 VanDerWaalsContact O-N 3.11Å
193S65.7Low68Low75 Ų7582.4 Ų82.452%0.52441%0.407SS..Hα-helixtrans-62.8-46.7175.61760000112.1P189 L191 L195 F196 K197P189-S193 PolarHBondContact O-N 3.5Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 3.43Å; S193-L195 PolarHBondContact O-N 3.43Å; S193-F196 PolarHBondContact O-N 3.49Å; S193-K197 PolarHBondContact O-N 3.09Å
194L73Confident65.8Low8 Ų879.5 Ų79.54%0.04239%0.392CS..Hα-helixtrans-62.8-43178.8-17765.7000112.2L151 Q155 F165 V170 L191 F196 K197 I198L151-L194 HydrophobicContact CD2-CD2 4.32Å; Q155-L194 HydrophobicContact CB-CD2 4.08Å; F165-L194 HydrophobicContact CZ-CD1 4.29Å; V170-L194 HydrophobicContact CG1-CD2 4.08Å; L191-L194 PolarHBondContact O-N 3.3Å; L194-F196 PolarHBondContact O-N 3.47Å; L194-K197 PolarHBondContact O-N 2.87Å; L194-I198 HydrophobicContact CD1-CD1 4.06Å; L194-I198 HydrophobicContact CG-CD1 3.96Å; L194-I198 WeakPolarHBondContact O-CG1 3.48Å; L194-I198 PolarHBondContact O-N 2.84Å; L194-I198 VanDerWaalsContact O-N 3.11Å
195L76.4Confident63.2Low13 Ų1380.4 Ų80.47%0.06841%0.407CS..Hα-helixtrans-61.4-42.1177-77.4163.8000112.4V174 L177 A185 L191 S193 K199V174-L195 HydrophobicContact CB-CD2 4.16Å; V174-L195 HydrophobicContact CG1-CD2 3.5Å; V174-L195 VanDerWaalsContact CG1-CD2 3.5Å; V174-L195 HydrophobicContact CG2-CD2 3.73Å; L177-L195 HydrophobicContact CD1-CD2 3.98Å; A185-L195 HydrophobicContact CB-CD1 3.62Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 WeakPolarHBondContact O-CG 3.22Å; L191-L195 PolarHBondContact O-N 3.48Å; S193-L195 PolarHBondContact O-N 3.43Å; L195-K199 WeakPolarHBondContact O-CG 3.37Å; L195-K199 PolarHBondContact O-N 3.32Å; L195-K199 VanDerWaalsContact O-N 3.16Å
196F65.8Low60.8Low142 Ų14284.6 Ų84.662%0.62344%0.441SS*.Hα-helixtrans-65.3-44.2177.7-171.2-98000111.2K192 S193 L194 I198 K199 M200K192-F196 PolarHBondContact O-N 3.06Å; K192-F196 VanDerWaalsContact O-N 3.11Å; S193-F196 PolarHBondContact O-N 3.49Å; L194-F196 PolarHBondContact O-N 3.47Å; F196-I198 PolarHBondContact O-N 3.45Å; F196-K199 PolarHBondContact O-N 2.75Å; F196-M200 HydrophobicContact CD1-CG 4.23Å; F196-M200 HydrophobicContact CD1-SD 4.33Å; F196-M200 HydrophobicContact CE1-CG 3.91Å; F196-M200 HydrophobicContact CE1-SD 3.49Å; F196-M200 WeakPolarHBondContact CE1-SD 3.48Å; F196-M200 HydrophobicContact CZ-CG 4.15Å; F196-M200 HydrophobicContact CZ-SD 3.73Å; F196-M200 WeakPolarHBondContact O-CG 3.45Å; F196-M200 PolarHBondContact O-N 3.01Å
197K67.1Low58.6Low80 Ų8086.5 Ų86.535%0.34846%0.459SS..Hα-helixtrans-56.8-48.7177.1-172.6177.9179.4-179.90112.2S193 L194 M200 D201S193-K197 PolarHBondContact O-N 3.09Å; L194-K197 PolarHBondContact O-N 2.87Å; K197-M200 PolarHBondContact O-N 3.36Å; K197-D201 PolarHBondContact O-N 2.98Å
198I68.9Low56.3Low16 Ų1690.5 Ų90.58%0.08246%0.461CS..Hα-helixtrans-68.2-38.4-177.6-68.2165.2000112.1V170 A171 V174 L194 F196 D201 N202V170-I198 HydrophobicContact CB-CD1 4.39Å; V170-I198 HydrophobicContact CG1-CD1 3.47Å; V170-I198 VanDerWaalsContact CG1-CD1 3.47Å; A171-I198 HydrophobicContact CB-CG2 4.29Å; V174-I198 HydrophobicContact CG1-CG2 4.43Å; V174-I198 HydrophobicContact CG2-CD1 3.73Å; L194-I198 HydrophobicContact CD1-CD1 4.06Å; L194-I198 HydrophobicContact CG-CD1 3.96Å; L194-I198 WeakPolarHBondContact O-CG1 3.48Å; L194-I198 PolarHBondContact O-N 2.84Å; L194-I198 VanDerWaalsContact O-N 3.11Å; F196-I198 PolarHBondContact O-N 3.45Å; I198-D201 PolarHBondContact O-N 2.92Å; I198-N202 PolarHBondContact O-N 3.46Å
199K62.9Low54.1Low111 Ų11192.5 Ų92.548%0.48348%0.484SS..Hα-helixtrans-64-42.3175.4-76.6-175.5176-170.30112L195 F196 D201 N202 E203L195-K199 WeakPolarHBondContact O-CG 3.37Å; L195-K199 PolarHBondContact O-N 3.32Å; L195-K199 VanDerWaalsContact O-N 3.16Å; F196-K199 PolarHBondContact O-N 2.75Å; K199-D201 VanDerWaalsContact C-N 3.33Å; K199-N202 PolarHBondContact O-N 2.94Å; K199-E203 PolarHBondContact O-N 3.28Å
200M53Low52.3Low89 Ų8990.6 Ų90.644%0.43847%0.468SS..Hα-helixtrans-65.4-36.9175.1-67.9-140.176.400112.1F196 K197 E203 K204F196-M200 HydrophobicContact CD1-CG 4.23Å; F196-M200 HydrophobicContact CD1-SD 4.33Å; F196-M200 HydrophobicContact CE1-CG 3.91Å; F196-M200 HydrophobicContact CE1-SD 3.49Å; F196-M200 WeakPolarHBondContact CE1-SD 3.48Å; F196-M200 HydrophobicContact CZ-CG 4.15Å; F196-M200 HydrophobicContact CZ-SD 3.73Å; F196-M200 WeakPolarHBondContact O-CG 3.45Å; F196-M200 PolarHBondContact O-N 3.01Å; K197-M200 PolarHBondContact O-N 3.36Å; M200-E203 PolarHBondContact O-N 3.33Å; M200-K204 WeakPolarHBondContact O-CD 3.42Å; M200-K204 WeakPolarHBondContact O-CE 3.44Å; M200-K204 WeakPolarHBondContact O-CG 3.22Å
201D53.3Low50.5Low74 Ų7493.6 Ų93.640%0.39649%0.488SS..Hα-helixtrans-67.6-34.3177.2-74.3-17.2000113K197 I198 K199 K204K197-D201 PolarHBondContact O-N 2.98Å; I198-D201 PolarHBondContact O-N 2.92Å; K199-D201 VanDerWaalsContact C-N 3.33Å; D201-K204 IonicContact OD1-NZ 3.67Å; D201-K204 PolarHBondContact OD1-NZ 3.49Å
202N49Very low48.4Very low101 Ų101103 Ų10354%0.5452%0.523SS..Hα-helixtrans-76.2-24.4177.7-79.5-12.9000114I198 K199I198-N202 PolarHBondContact O-N 3.46Å; K199-N202 PolarHBondContact O-N 2.94Å
203E39.3Very low46.9Very low163 Ų163105.2 Ų105.276%0.76254%0.539SS*.Hα-helixtrans-86.3-8.2178.4-73.4-177.4175.200113.7K199 M200K199-E203 PolarHBondContact O-N 3.28Å; M200-E203 PolarHBondContact O-N 3.33Å
204K34.2Very low45.8Very low66 Ų66108 Ų10829%0.28754%0.542SS..SBendtrans-77.9135176.7-70.1160.7-163.5175.90111.1M200 D201 A206 E520M200-K204 WeakPolarHBondContact O-CD 3.42Å; M200-K204 WeakPolarHBondContact O-CE 3.44Å; M200-K204 WeakPolarHBondContact O-CG 3.22Å; D201-K204 IonicContact OD1-NZ 3.67Å; D201-K204 PolarHBondContact OD1-NZ 3.49Å; K204-A206 PolarHBondContact O-N 2.91Å; K204-A206 VanDerWaalsContact O-N 3.12Å; K204-E520 WeakPolarHBondContact CD-OE1 3.27Å; K204-E520 VanDerWaalsContact CE-OE1 3.29Å; K204-E520 WeakPolarHBondContact CE-OE1 3.44Å; K204-E520 WeakPolarHBondContact CE-OE2 3.49Å; K204-E520 IonicContact NZ-OE1 2.7Å; K204-E520 PolarHBondContact NZ-OE1 3.16Å; K204-E520 IonicContact NZ-OE2 2.71Å; K204-E520 PolarHBondContact NZ-OE2 2.89Å
205P29.4Very low45.3Very low117 Ų117116.4 Ų116.476%0.7658%0.578SS**  trans-62.1118.4159.425.5-29000107.9V207P205-V207 PolarHBondContact O-N 3.33Å
206A27.8Very low45.4Very low88 Ų88117.2 Ų117.273%0.72758%0.581SS**  trans-47.4112.817700000110.2K204 R208K204-A206 PolarHBondContact O-N 2.91Å; K204-A206 VanDerWaalsContact O-N 3.12Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 3.5Å
207V29.2Very low46.2Very low133 Ų133118.4 Ų118.481%0.80659%0.586SS**  trans-61.4103.9165.71750000105.5P205 T209P205-V207 PolarHBondContact O-N 3.33Å; V207-T209 PolarHBondContact O-N 2.94Å
208R28.2Very low47.1Very low198 Ų198115.3 Ų115.375%0.74757%0.573SS**  trans-62.996.9-179.4-78.7-177.4177.2168.1-0.6109.1A206 D210A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 3.5Å; R208-D210 HydrophobicContact CB-CB 4.1Å; R208-D210 PolarHBondContact O-N 2.86Å
209T28.9Very low48.1Very low137 Ų137115.7 Ų115.784%0.8458%0.577SS**  trans-73.961.8149.943.70000108.5V207 N211V207-T209 PolarHBondContact O-N 2.94Å; T209-N211 PolarHBondContact O-N 3.48Å
210D27.5Very low49.3Very low62 Ų62118.2 Ų118.233%0.33259%0.59SS.*  trans-85.272.6177.4-154.59000108.4R208 R212 K214R208-D210 HydrophobicContact CB-CB 4.1Å; R208-D210 PolarHBondContact O-N 2.86Å; D210-R212 PolarHBondContact O-N 3.5Å; D210-R212 WeakPolarHBondContact OD1-CB 3.38Å; D210-R212 WeakPolarHBondContact OD1-CD 3.32Å; D210-R212 WeakPolarHBondContact OD1-CG 3.36Å; D210-K214 WeakPolarHBondContact OD2-CE 3.47Å; D210-K214 IonicContact OD2-NZ 2.61Å; D210-K214 PolarHBondContact OD2-NZ 3.01Å
211N30.5Very low51.1Low165 Ų165119.9 Ų119.988%0.88260%0.601SS**  trans-7426.4166.2-99.5-2.5000112T209T209-N211 PolarHBondContact O-N 3.48Å
212R33.5Very low52.9Low199 Ų199119.4 Ų119.475%0.75160%0.602SS**SBendtrans-84.5117.6165.1-65.7-179.7174.2-178.5-0.5106.7D210 K214D210-R212 PolarHBondContact O-N 3.5Å; D210-R212 WeakPolarHBondContact OD1-CB 3.38Å; D210-R212 WeakPolarHBondContact OD1-CD 3.32Å; D210-R212 WeakPolarHBondContact OD1-CG 3.36Å; R212-K214 PolarHBondContact O-N 3.39Å
213I40.8Very low54.9Low173 Ų173115.4 Ų115.489%0.88758%0.58SS**  trans-55.989.1174.3-58169.8000108.4K215I213-K215 PolarHBondContact O-N 2.87Å
214K44.1Very low57.4Low133 Ų133108.4 Ų108.458%0.57855%0.552SS**  trans-71.4123.2164.7-75.6178.2-175157.20105.4D210 R212 F216D210-K214 WeakPolarHBondContact OD2-CE 3.47Å; D210-K214 IonicContact OD2-NZ 2.61Å; D210-K214 PolarHBondContact OD2-NZ 3.01Å; R212-K214 PolarHBondContact O-N 3.39Å; K214-F216 PolarHBondContact O-N 3.18Å
215K61.7Low60.1Low185 Ų185109.6 Ų109.680%0.80456%0.559SS**  trans-55.7113.4164.8-72.8-176.6177.9-1790106.9I213 K217I213-K215 PolarHBondContact O-N 2.87Å; K215-K217 PolarHBondContact O-N 2.98Å
216F78.1Confident63Low29 Ų29110.2 Ų110.213%0.12756%0.556CS.*  trans-54.5130.3178172.3-107.1000109.5K214 L218 C235 F264 Y268K214-F216 PolarHBondContact O-N 3.18Å; F216-L218 HydrophobicContact CE1-CD2 3.93Å; F216-L218 HydrophobicContact CE1-CG 4.41Å; F216-C235 HydrophobicContact CD1-CB 3.98Å; F216-C235 HydrophobicContact CD2-CB 3.58Å; F216-C235 HydrophobicContact CE1-CB 3.78Å; F216-C235 HydrophobicContact CE2-CB 3.4Å; F216-C235 HydrophobicContact CG-CB 3.88Å; F216-C235 HydrophobicContact CZ-CB 3.5Å; F216-F264 HydrophobicContact CE1-CE1 4.41Å; F216-F264 AromaticContact CZ-CE1 3.92Å; F216-F264 HydrophobicContact CZ-CE1 3.92Å; F216-F264 HydrophobicContact CZ-CZ 4.19Å; F216-Y268 AromaticContact CD1-CE2 3.89Å; F216-Y268 HydrophobicContact CD1-CE2 3.89Å; F216-Y268 AromaticContact CD1-CZ 3.84Å; F216-Y268 AromaticContact CE1-CD2 3.95Å; F216-Y268 HydrophobicContact CE1-CD2 3.95Å; F216-Y268 AromaticContact CE1-CE2 3.66Å; F216-Y268 HydrophobicContact CE1-CE2 3.66Å; F216-Y268 HydrophobicContact CE1-CG 4.49Å; F216-Y268 AromaticContact CE1-CZ 3.96Å
217K82.5Confident66Low168 Ų168110.9 Ų110.973%0.7354%0.544SS*.  trans-108.1132.1176.9-69.9-174.2179.2-177.80108.8K215K215-K217 PolarHBondContact O-N 2.98Å
218L86.9Confident69Low15 Ų15104.6 Ų104.68%0.07951%0.505CS..  trans-63.7139.9175.9-72.9164.5000110.7P54 F216 F264 R265 Y268P54-L218 HydrophobicContact CG-CD1 4.23Å; P54-L218 HydrophobicContact CG-CG 4.12Å; F216-L218 HydrophobicContact CE1-CD2 3.93Å; F216-L218 HydrophobicContact CE1-CG 4.41Å; L218-F264 HydrophobicContact CD2-CD1 4.19Å; L218-F264 HydrophobicContact CD2-CE1 4.17Å; L218-R265 HydrophobicContact CD1-CG 4.04Å; L218-Y268 HydrophobicContact CD2-CD1 3.97Å; L218-Y268 HydrophobicContact CD2-CG 4.02Å
219P89.1Confident72Confident24 Ų2496 Ų9616%0.15648%0.475CS..  trans-63.6143.2178.228.3-35.8000110.6L223 F264P219-L223 HydrophobicContact CB-CD1 3.94Å; P219-L223 HydrophobicContact CB-CD2 4.02Å; P219-L223 HydrophobicContact CB-CG 4.17Å; P219-L223 HydrophobicContact CG-CD1 3.86Å; P219-F264 VanDerWaalsContact CD-CD1 3.49Å; P219-F264 HydrophobicContact CG-CB 4.12Å; P219-F264 HydrophobicContact CG-CD1 3.43Å; P219-F264 VanDerWaalsContact CG-CD1 3.43Å; P219-F264 HydrophobicContact CG-CD2 4.31Å; P219-F264 HydrophobicContact CG-CE1 3.92Å; P219-F264 HydrophobicContact CG-CG 3.68Å
220Q88.4Confident74.8Confident164 Ų16496.8 Ų96.877%0.76646%0.463SS*.  trans-110.6-14.6174.6-63-149.8-0.100113.6P261Q220-P261 WeakPolarHBondContact O-CG 3.39Å
221N90.3Very high77.8Confident124 Ų12494.4 Ų94.466%0.66345%0.451SS*.SBendtrans-109.9148179.3-63.5-33000110.3L223 P261N221-L223 PolarHBondContact O-N 3.18Å; N221-P261 VanDerWaalsContact C-CG 3.42Å
222P91.3Very high80.6Confident64 Ų6486.5 Ų86.542%0.41641%0.409SS..PPolyproline II helixtrans-57.4131.1175.5-23.132.9000111.5K258 V259P222-K258 HydrophobicContact CB-CB 4.15Å; P222-K258 HydrophobicContact CB-CD 4.15Å; P222-V259 WeakPolarHBondContact CA-O 3.44Å
223L91.8Very high83.2Confident16 Ų1680.1 Ų80.18%0.08439%0.387CS..BIsolated β-bridgetrans-94.5123.7-171.9-61.7171.9000110.9P219 N221 E227 F228 C231 K258 V259 F264P219-L223 HydrophobicContact CB-CD1 3.94Å; P219-L223 HydrophobicContact CB-CD2 4.02Å; P219-L223 HydrophobicContact CB-CG 4.17Å; P219-L223 HydrophobicContact CG-CD1 3.86Å; N221-L223 PolarHBondContact O-N 3.18Å; L223-E227 HydrophobicContact CB-CB 4.43Å; L223-E227 HydrophobicContact CD2-CB 3.95Å; L223-F228 HydrophobicContact CB-CB 4.09Å; L223-F228 HydrophobicContact CD1-CD2 4.06Å; L223-C231 HydrophobicContact CD1-CB 4.24Å; L223-K258 CarbonylContact O-C 3.59Å; L223-K258 VanDerWaalsContact O-CA 3.25Å; L223-K258 WeakPolarHBondContact O-CA 3.44Å; L223-K258 WeakPolarHBondContact O-CB 3.47Å; L223-V259 PolarHBondContact N-O 2.97Å; L223-V259 PolarHBondContact O-N 3.41Å; L223-F264 HydrophobicContact CD1-CD2 3.8Å; L223-F264 HydrophobicContact CD1-CE2 4.17Å; L223-F264 HydrophobicContact CD1-CG 4.36Å
224G91.8Very high85.3Confident17 Ų1778.3 Ų78.318%0.17538%0.375CS..PPolyproline II helixtrans-70174161.500000111.9D226 E227 F228G224-D226 PolarHBondContact O-N 3.39Å; G224-E227 PolarHBondContact N-OE2 3.18Å; G224-E227 VanDerWaalsContact N-OE2 3.09Å; G224-E227 PolarHBondContact O-N 2.89Å; G224-F228 WeakPolarHBondContact O-CB 3.43Å; G224-F228 PolarHBondContact O-N 3.04Å
225Q90.7Very high87.2Confident91 Ų9172.7 Ų72.743%0.42535%0.352SS..Hα-helixtrans-57.7-49.9-176.4-172171.8500112.8E227 F228 V229 S245 F248Q225-E227 PolarHBondContact O-N 3.22Å; Q225-F228 WeakPolarHBondContact O-CB 3.3Å; Q225-F228 PolarHBondContact O-N 3.45Å; Q225-V229 WeakPolarHBondContact O-CG2 3.37Å; Q225-V229 PolarHBondContact O-N 3.18Å; Q225-S245 PolarHBondContact NE2-OG 3.11Å; Q225-F248 HydrophobicContact CB-CD1 4.47Å; Q225-F248 HydrophobicContact CB-CE1 4.18Å; Q225-F248 HydrophobicContact CB-CE2 4.28Å; Q225-F248 HydrophobicContact CB-CZ 4.06Å; Q225-F248 HydrophobicContact CG-CD1 4.35Å; Q225-F248 HydrophobicContact CG-CG 4.44Å
226D89.3Confident88.2Confident130 Ų13066.9 Ų66.970%0.69535%0.345SS*.Hα-helixtrans-65.4-39.2-179.2-62.3-24.2000112.9G224 F228 V229 R230G224-D226 PolarHBondContact O-N 3.39Å; D226-F228 VanDerWaalsContact C-N 3.34Å; D226-V229 PolarHBondContact O-N 2.74Å; D226-R230 PolarHBondContact O-N 3.49Å; D226-R230 VanDerWaalsContact O-N 3.11Å
227E91.1Very high88.6Confident102 Ų10266.2 Ų66.248%0.47734%0.342SS..Hα-helixtrans-67.4-38.6176.8-63.1176.3151.600111L223 G224 Q225 R230 C231L223-E227 HydrophobicContact CB-CB 4.43Å; L223-E227 HydrophobicContact CD2-CB 3.95Å; G224-E227 PolarHBondContact N-OE2 3.18Å; G224-E227 VanDerWaalsContact N-OE2 3.09Å; G224-E227 PolarHBondContact O-N 2.89Å; Q225-E227 PolarHBondContact O-N 3.22Å; E227-R230 PolarHBondContact O-N 2.95Å; E227-C231 VanDerWaalsContact O-CB 3.29Å; E227-C231 WeakPolarHBondContact O-CB 3.48Å; E227-C231 PolarHBondContact O-N 3.36Å
228F92.8Very high88.9Confident0 Ų058.8 Ų58.80%031%0.311CS..Hα-helixtrans-65-44.4175.6-178.8-98.1000111.5L223 G224 Q225 D226 R230 C231 I232 I244 L247 F248 L251 V259 F264L223-F228 HydrophobicContact CB-CB 4.09Å; L223-F228 HydrophobicContact CD1-CD2 4.06Å; G224-F228 WeakPolarHBondContact O-CB 3.43Å; G224-F228 PolarHBondContact O-N 3.04Å; Q225-F228 WeakPolarHBondContact O-CB 3.3Å; Q225-F228 PolarHBondContact O-N 3.45Å; D226-F228 VanDerWaalsContact C-N 3.34Å; F228-R230 PolarHBondContact O-N 3.42Å; F228-C231 PolarHBondContact O-N 2.9Å; F228-I232 HydrophobicContact CD1-CG1 4.14Å; F228-I232 HydrophobicContact CD2-CG1 4.42Å; F228-I232 HydrophobicContact CE1-CD1 4.41Å; F228-I232 HydrophobicContact CE1-CG1 3.74Å; F228-I232 HydrophobicContact CE2-CD1 4.13Å; F228-I232 HydrophobicContact CE2-CG1 4.02Å; F228-I232 HydrophobicContact CG-CG1 4.46Å; F228-I232 HydrophobicContact CZ-CD1 3.85Å; F228-I232 HydrophobicContact CZ-CG1 3.64Å; F228-I232 WeakPolarHBondContact O-CG1 3.29Å; F228-I232 PolarHBondContact O-N 2.98Å; F228-I244 HydrophobicContact CD1-CG2 3.68Å; F228-I244 HydrophobicContact CE1-CG2 3.61Å; F228-L247 HydrophobicContact CE1-CB 4.4Å; F228-L247 HydrophobicContact CE1-CD2 4.08Å; F228-L247 HydrophobicContact CE1-CG 4.11Å; F228-L247 HydrophobicContact CZ-CD2 3.8Å; F228-L247 HydrophobicContact CZ-CG 3.87Å; F228-F248 HydrophobicContact CB-CD2 3.81Å; F228-F248 HydrophobicContact CB-CE2 4.18Å; F228-F248 HydrophobicContact CD1-CB 3.83Å; F228-F248 AromaticContact CD1-CD2 3.72Å; F228-F248 HydrophobicContact CD1-CD2 3.72Å; F228-F248 HydrophobicContact CD1-CG 4.27Å; F228-F248 HydrophobicContact CD2-CD2 4.39Å; F228-F248 HydrophobicContact CE1-CB 3.9Å; F228-F248 HydrophobicContact CE1-CD2 4.39Å; F228-F248 AromaticContact CG-CD2 3.72Å; F228-F248 HydrophobicContact CG-CD2 3.72Å; F228-F248 HydrophobicContact CG-CE2 4.47Å; F228-L251 HydrophobicContact CE2-CD1 3.89Å; F228-L251 HydrophobicContact CZ-CD1 3.73Å; F228-V259 HydrophobicContact CD2-CB 4.25Å; F228-V259 HydrophobicContact CD2-CG1 4.46Å; F228-V259 HydrophobicContact CD2-CG2 4.01Å; F228-V259 HydrophobicContact CE2-CG1 4.34Å; F228-V259 HydrophobicContact CE2-CG2 4.17Å; F228-F264 AromaticContact CD2-CD2 3.96Å; F228-F264 HydrophobicContact CD2-CD2 3.96Å; F228-F264 HydrophobicContact CD2-CE2 4.08Å; F228-F264 AromaticContact CE2-CD2 3.66Å; F228-F264 HydrophobicContact CE2-CD2 3.66Å; F228-F264 AromaticContact CE2-CE2 3.8Å; F228-F264 HydrophobicContact CE2-CE2 3.8Å
229V90.6Very high88.8Confident18 Ų1862.4 Ų62.411%0.10933%0.326CS..Hα-helixtrans-55.6-51.5174.7169.60000110.8Q225 D226 C231 I232 Q233 V241 I244Q225-V229 WeakPolarHBondContact O-CG2 3.37Å; Q225-V229 PolarHBondContact O-N 3.18Å; D226-V229 PolarHBondContact O-N 2.74Å; V229-C231 VanDerWaalsContact C-N 3.35Å; V229-C231 PolarHBondContact O-N 3.38Å; V229-I232 PolarHBondContact O-N 3.44Å; V229-Q233 WeakPolarHBondContact O-CG 3.39Å; V229-Q233 PolarHBondContact O-N 3.02Å; V229-V241 HydrophobicContact CG1-CG2 4.01Å; V229-I244 HydrophobicContact CB-CG2 4.39Å; V229-I244 HydrophobicContact CG1-CD1 4.37Å; V229-I244 HydrophobicContact CG2-CB 4.39Å; V229-I244 HydrophobicContact CG2-CG2 3.85Å
230R88.4Confident88.6Confident153 Ų15363.1 Ų63.158%0.57733%0.329SS*.Hα-helixtrans-60.2-44.5178.6-167.8-177.2-58.1157.25.6111.9D226 E227 F228 I232 Q233 E234D226-R230 PolarHBondContact O-N 3.49Å; D226-R230 VanDerWaalsContact O-N 3.11Å; E227-R230 PolarHBondContact O-N 2.95Å; F228-R230 PolarHBondContact O-N 3.42Å; R230-I232 PolarHBondContact O-N 3.1Å; R230-Q233 PolarHBondContact O-N 3.25Å; R230-E234 HydrophobicContact CG-CG 4.41Å; R230-E234 WeakPolarHBondContact CG-OE1 3.44Å; R230-E234 WeakPolarHBondContact O-CB 3.47Å; R230-E234 VanDerWaalsContact O-CG 3.29Å; R230-E234 WeakPolarHBondContact O-CG 3.49Å; R230-E234 PolarHBondContact O-N 3.13Å
231C90.1Very high88.6Confident12 Ų1256.6 Ų56.68%0.08130%0.3CS..Hα-helixtrans-62.5-43.4-179.9-170.50000112.4L223 E227 F228 V229 E234 C235 F264L223-C231 HydrophobicContact CD1-CB 4.24Å; E227-C231 VanDerWaalsContact O-CB 3.29Å; E227-C231 WeakPolarHBondContact O-CB 3.48Å; E227-C231 PolarHBondContact O-N 3.36Å; F228-C231 PolarHBondContact O-N 2.9Å; V229-C231 VanDerWaalsContact C-N 3.35Å; V229-C231 PolarHBondContact O-N 3.38Å; C231-E234 PolarHBondContact O-N 3.09Å; C231-C235 WeakPolarHBondContact O-CB 3.48Å; C231-C235 PolarHBondContact O-N 3.26Å; C231-F264 HydrophobicContact CB-CE2 4.4Å; C231-F264 HydrophobicContact CB-CZ 4.44Å; C231-F264 WeakPolarHBondContact SG-CZ 3.49Å
232I90.4Very high88.6Confident0 Ų053.2 Ų53.20%029%0.289CS..Hα-helixtrans-65.8-40177.6-68.1-68000111.4F228 V229 R230 C235 G236 I237 V238 I244 L247 F264 F267F228-I232 HydrophobicContact CD1-CG1 4.14Å; F228-I232 HydrophobicContact CD2-CG1 4.42Å; F228-I232 HydrophobicContact CE1-CD1 4.41Å; F228-I232 HydrophobicContact CE1-CG1 3.74Å; F228-I232 HydrophobicContact CE2-CD1 4.13Å; F228-I232 HydrophobicContact CE2-CG1 4.02Å; F228-I232 HydrophobicContact CG-CG1 4.46Å; F228-I232 HydrophobicContact CZ-CD1 3.85Å; F228-I232 HydrophobicContact CZ-CG1 3.64Å; F228-I232 WeakPolarHBondContact O-CG1 3.29Å; F228-I232 PolarHBondContact O-N 2.98Å; V229-I232 PolarHBondContact O-N 3.44Å; R230-I232 PolarHBondContact O-N 3.1Å; I232-C235 PolarHBondContact O-N 2.89Å; I232-C235 PolarHBondContact O-SG 3.44Å; I232-G236 PolarHBondContact O-N 3.34Å; I232-I237 HydrophobicContact CG2-CB 4.3Å; I232-I237 PolarHBondContact O-N 3.05Å; I232-V238 HydrophobicContact CG2-CB 4.33Å; I232-I244 HydrophobicContact CB-CD1 4.36Å; I232-I244 HydrophobicContact CB-CG1 4.39Å; I232-I244 HydrophobicContact CB-CG2 4.11Å; I232-I244 HydrophobicContact CG1-CG2 4.15Å; I232-I244 HydrophobicContact CG2-CD1 3.97Å; I232-I244 HydrophobicContact CG2-CG1 3.78Å; I232-I244 HydrophobicContact CG2-CG2 4.29Å; I232-L247 HydrophobicContact CD1-CD2 4.02Å; I232-L247 HydrophobicContact CG1-CD2 4.39Å; I232-F264 HydrophobicContact CD1-CE2 3.63Å; I232-F264 HydrophobicContact CD1-CZ 4Å; I232-F264 HydrophobicContact CG1-CE2 4.19Å; I232-F267 HydrophobicContact CD1-CE1 3.77Å
233Q87.3Confident88.6Confident65 Ų6550.1 Ų50.130%0.30427%0.269SS..Hα-helixtrans-65.8-45.2175.5-71.5174-20.600111.8V229 R230 C235 G236 K239 I244 A464V229-Q233 WeakPolarHBondContact O-CG 3.39Å; V229-Q233 PolarHBondContact O-N 3.02Å; R230-Q233 PolarHBondContact O-N 3.25Å; Q233-C235 VanDerWaalsContact C-N 3.27Å; Q233-C235 PolarHBondContact O-N 2.87Å; Q233-G236 PolarHBondContact O-N 3.5Å; Q233-G236 VanDerWaalsContact O-N 3.12Å; Q233-K239 PolarHBondContact NE2-O 2.93Å; Q233-I244 HydrophobicContact CG-CD1 3.87Å; Q233-A464 VanDerWaalsContact NE2-CB 3.33Å
234E85.3Confident88.6Confident134 Ų13449.4 Ų49.463%0.62627%0.265SS*.Hα-helixtrans-62.1-33.4177.3-76.7178.3-173.500112.7R230 C231 G236R230-E234 HydrophobicContact CG-CG 4.41Å; R230-E234 WeakPolarHBondContact CG-OE1 3.44Å; R230-E234 WeakPolarHBondContact O-CB 3.47Å; R230-E234 VanDerWaalsContact O-CG 3.29Å; R230-E234 WeakPolarHBondContact O-CG 3.49Å; R230-E234 PolarHBondContact O-N 3.13Å; C231-E234 PolarHBondContact O-N 3.09Å; E234-G236 VanDerWaalsContact C-N 3.3Å
235C83.1Confident88.7Confident15 Ų1549.7 Ų49.710%0.10127%0.265CS..THydrogen-bonded Turntrans-83.1-6.1178.383.20000114F216 C231 I232 Q233 I237 Y268F216-C235 HydrophobicContact CD1-CB 3.98Å; F216-C235 HydrophobicContact CD2-CB 3.58Å; F216-C235 HydrophobicContact CE1-CB 3.78Å; F216-C235 HydrophobicContact CE2-CB 3.4Å; F216-C235 HydrophobicContact CG-CB 3.88Å; F216-C235 HydrophobicContact CZ-CB 3.5Å; C231-C235 WeakPolarHBondContact O-CB 3.48Å; C231-C235 PolarHBondContact O-N 3.26Å; I232-C235 PolarHBondContact O-N 2.89Å; I232-C235 PolarHBondContact O-SG 3.44Å; Q233-C235 VanDerWaalsContact C-N 3.27Å; Q233-C235 PolarHBondContact O-N 2.87Å; C235-I237 PolarHBondContact O-N 3.36Å; C235-I237 WeakPolarHBondContact SG-CD1 3.23Å; C235-I237 WeakPolarHBondContact SG-CG1 3.45Å; C235-Y268 HydrophobicContact CB-CD2 4.5Å; C235-Y268 HydrophobicContact CB-CE2 3.98Å
236G82.7Confident88.8Confident63 Ų6347.5 Ų47.565%0.64925%0.253SS*.THydrogen-bonded Turntrans71.62417400000115.1I232 Q233 E234I232-G236 PolarHBondContact O-N 3.34Å; Q233-G236 PolarHBondContact O-N 3.5Å; Q233-G236 VanDerWaalsContact O-N 3.12Å; E234-G236 VanDerWaalsContact C-N 3.3Å
237I87.1Confident89.1Confident15 Ų1541.3 Ų41.38%0.07722%0.22CC..SBendtrans-79.6-56.5178.9-71.3175.8000110.8I232 C235 F267 Y268 W271 L411I232-I237 HydrophobicContact CG2-CB 4.3Å; I232-I237 PolarHBondContact O-N 3.05Å; C235-I237 PolarHBondContact O-N 3.36Å; C235-I237 WeakPolarHBondContact SG-CD1 3.23Å; C235-I237 WeakPolarHBondContact SG-CG1 3.45Å; I237-F267 HydrophobicContact CD1-CE1 3.76Å; I237-F267 HydrophobicContact CD1-CZ 4.24Å; I237-F267 HydrophobicContact CG2-CZ 4.41Å; I237-Y268 HydrophobicContact CD1-CD2 3.9Å; I237-Y268 HydrophobicContact CD1-CE2 4.32Å; I237-W271 HydrophobicContact CB-CZ2 4.49Å; I237-W271 HydrophobicContact CD1-CB 4.44Å; I237-W271 HydrophobicContact CD1-CD2 4.34Å; I237-W271 HydrophobicContact CD1-CG 3.99Å; I237-W271 HydrophobicContact CG1-CD2 4.27Å; I237-W271 HydrophobicContact CG1-CG 4.23Å; I237-W271 HydrophobicContact CG2-CD2 4Å; I237-W271 HydrophobicContact CG2-CE3 4.09Å; I237-W271 HydrophobicContact CG2-CH2 3.94Å; I237-W271 HydrophobicContact CG2-CZ2 3.86Å; I237-W271 HydrophobicContact CG2-CZ3 4.06Å; I237-L411 HydrophobicContact CG2-CD2 3.86Å
238V87.9Confident89.2Confident12 Ų1237 Ų377%0.07320%0.199CC..  trans-141.7144.1176.4173.90000109I232 D240 T243 I244 T407 L411I232-V238 HydrophobicContact CG2-CB 4.33Å; V238-D240 HydrophobicContact CG1-CB 4.19Å; V238-T243 HydrophobicContact CG1-CG2 4.12Å; V238-I244 HydrophobicContact CB-CG1 4.17Å; V238-I244 HydrophobicContact CG1-CD1 4.49Å; V238-I244 HydrophobicContact CG1-CG1 3.97Å; V238-T407 HydrophobicContact CG2-CG2 3.35Å; V238-L411 HydrophobicContact CG2-CD1 3.92Å; V238-L411 HydrophobicContact CG2-CD2 4.34Å; V238-L411 HydrophobicContact CG2-CG 4.4Å
239K85.2Confident89.2Confident91 Ų9140.6 Ų40.640%0.39622%0.219SC..  trans-95.4-39.8174.1-65.7-176.5-179.8177.70113.2Q233 V241 D462 A464Q233-K239 PolarHBondContact NE2-O 2.93Å; K239-V241 PolarHBondContact O-N 3.41Å; K239-D462 WeakPolarHBondContact CD-O 3.32Å; K239-D462 PolarHBondContact NZ-O 2.9Å; K239-D462 IonicContact NZ-OD1 2.78Å; K239-D462 PolarHBondContact NZ-OD1 2.83Å; K239-A464 WeakPolarHBondContact O-CA 3.46Å
240D85.9Confident89.3Confident39 Ų3939.7 Ų39.721%0.20921%0.213CC..  trans-61.8117.2-175172.154.5000113.5V238 A242 T243 I244 A464V238-D240 HydrophobicContact CG1-CB 4.19Å; D240-A242 VanDerWaalsContact C-N 3.33Å; D240-A242 PolarHBondContact O-N 3.25Å; D240-T243 PolarHBondContact O-N 3Å; D240-T243 WeakPolarHBondContact OD2-CB 3.47Å; D240-T243 PolarHBondContact OD2-N 2.7Å; D240-T243 PolarHBondContact OD2-OG1 3.06Å; D240-I244 WeakPolarHBondContact O-CD1 3.45Å; D240-I244 WeakPolarHBondContact O-CG1 3.32Å; D240-I244 PolarHBondContact O-N 2.72Å; D240-A464 WeakPolarHBondContact CA-O 3.32Å
241V88.4Confident89.5Confident28 Ų2832.7 Ų32.717%0.1719%0.187CC..Hα-helixtrans-64.2-35.3-1761740000112.2V229 K239 T243 I244 S245 A464 E465V229-V241 HydrophobicContact CG1-CG2 4.01Å; K239-V241 PolarHBondContact O-N 3.41Å; V241-T243 PolarHBondContact O-N 2.67Å; V241-I244 PolarHBondContact O-N 3.37Å; V241-S245 WeakPolarHBondContact O-CB 3.36Å; V241-S245 PolarHBondContact O-N 2.7Å; V241-S245 PolarHBondContact O-OG 2.86Å; V241-A464 HydrophobicContact CG2-CB 3.92Å; V241-A464 WeakPolarHBondContact CG2-O 3.48Å; V241-A464 PolarHBondContact N-O 2.69Å; V241-E465 HydrophobicContact CB-CG 4.04Å; V241-E465 HydrophobicContact CG2-CG 3.92Å
242A88.6Confident89.5Confident52 Ų5232.7 Ų32.743%0.4319%0.187SC..Hα-helixtrans-64.5-42.4179.200000111.4D240 S245 R246D240-A242 VanDerWaalsContact C-N 3.33Å; D240-A242 PolarHBondContact O-N 3.25Å; A242-S245 PolarHBondContact O-N 3.37Å; A242-R246 PolarHBondContact O-N 2.8Å; A242-R246 VanDerWaalsContact O-N 3.15Å; A242-R246 PolarHBondContact O-NH1 2.97Å
243T91.4Very high88.8Confident0 Ų036.3 Ų36.30%021%0.206CC..Hα-helixtrans-69-39.4175.3-59.50000111.9V238 D240 V241 S245 R246 L247 Q404 L411V238-T243 HydrophobicContact CG1-CG2 4.12Å; D240-T243 PolarHBondContact O-N 3Å; D240-T243 WeakPolarHBondContact OD2-CB 3.47Å; D240-T243 PolarHBondContact OD2-N 2.7Å; D240-T243 PolarHBondContact OD2-OG1 3.06Å; V241-T243 PolarHBondContact O-N 2.67Å; T243-S245 VanDerWaalsContact C-N 3.29Å; T243-S245 PolarHBondContact O-N 3.44Å; T243-R246 PolarHBondContact O-N 3.48Å; T243-R246 PolarHBondContact OG1-NH2 2.72Å; T243-L247 PolarHBondContact O-N 3.14Å; T243-Q404 PolarHBondContact OG1-NE2 3.23Å; T243-L411 HydrophobicContact CG2-CD1 3.66Å
244I93.1Very high87.7Confident0 Ų042.5 Ų42.50%024%0.235CC..Hα-helixtrans-65.5-34.7175.4-59.5162.7000111.2F228 V229 I232 Q233 V238 D240 V241 L247 F248F228-I244 HydrophobicContact CD1-CG2 3.68Å; F228-I244 HydrophobicContact CE1-CG2 3.61Å; V229-I244 HydrophobicContact CB-CG2 4.39Å; V229-I244 HydrophobicContact CG1-CD1 4.37Å; V229-I244 HydrophobicContact CG2-CB 4.39Å; V229-I244 HydrophobicContact CG2-CG2 3.85Å; I232-I244 HydrophobicContact CB-CD1 4.36Å; I232-I244 HydrophobicContact CB-CG1 4.39Å; I232-I244 HydrophobicContact CB-CG2 4.11Å; I232-I244 HydrophobicContact CG1-CG2 4.15Å; I232-I244 HydrophobicContact CG2-CD1 3.97Å; I232-I244 HydrophobicContact CG2-CG1 3.78Å; I232-I244 HydrophobicContact CG2-CG2 4.29Å; Q233-I244 HydrophobicContact CG-CD1 3.87Å; V238-I244 HydrophobicContact CB-CG1 4.17Å; V238-I244 HydrophobicContact CG1-CD1 4.49Å; V238-I244 HydrophobicContact CG1-CG1 3.97Å; D240-I244 WeakPolarHBondContact O-CD1 3.45Å; D240-I244 WeakPolarHBondContact O-CG1 3.32Å; D240-I244 PolarHBondContact O-N 2.72Å; V241-I244 PolarHBondContact O-N 3.37Å; I244-L247 CarbonylContact O-C 3.52Å; I244-L247 WeakPolarHBondContact O-CB 3.36Å; I244-L247 PolarHBondContact O-N 2.74Å; I244-F248 PolarHBondContact O-N 2.85Å
245S92.4Very high86.6Confident24 Ų2444.8 Ų44.817%0.16825%0.246CC..Hα-helixtrans-66.1-43.8175.6-60.90000111.4Q225 V241 A242 T243 L247 F248 D249Q225-S245 PolarHBondContact NE2-OG 3.11Å; V241-S245 WeakPolarHBondContact O-CB 3.36Å; V241-S245 PolarHBondContact O-N 2.7Å; V241-S245 PolarHBondContact O-OG 2.86Å; A242-S245 PolarHBondContact O-N 3.37Å; T243-S245 VanDerWaalsContact C-N 3.29Å; T243-S245 PolarHBondContact O-N 3.44Å; S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 2.89Å; S245-F248 WeakPolarHBondContact O-CB 3.42Å; S245-F248 PolarHBondContact O-N 3.32Å; S245-F248 VanDerWaalsContact O-N 3.15Å; S245-D249 PolarHBondContact O-N 3.39Å
246R93.7Very high85.7Confident44 Ų4450 Ų5017%0.16627%0.269CS..Hα-helixtrans-61-35.5171.6-66.8-167.9-60.1-80.2-1112.4A242 T243 A250 L431A242-R246 PolarHBondContact O-N 2.8Å; A242-R246 VanDerWaalsContact O-N 3.15Å; A242-R246 PolarHBondContact O-NH1 2.97Å; T243-R246 PolarHBondContact O-N 3.48Å; T243-R246 PolarHBondContact OG1-NH2 2.72Å; R246-A250 WeakPolarHBondContact O-CB 3.41Å; R246-A250 PolarHBondContact O-N 3Å; R246-L431 HydrophobicContact CB-CD2 4.09Å
247L95.4Very high85.7Confident0 Ų052.8 Ų52.80%027%0.273CS..Hα-helixtrans-67.4-41.5174.5177.965000111.8F228 I232 T243 I244 S245 D249 A250 L251 F267 L411 V415 L431F228-L247 HydrophobicContact CE1-CB 4.4Å; F228-L247 HydrophobicContact CE1-CD2 4.08Å; F228-L247 HydrophobicContact CE1-CG 4.11Å; F228-L247 HydrophobicContact CZ-CD2 3.8Å; F228-L247 HydrophobicContact CZ-CG 3.87Å; I232-L247 HydrophobicContact CD1-CD2 4.02Å; I232-L247 HydrophobicContact CG1-CD2 4.39Å; T243-L247 PolarHBondContact O-N 3.14Å; I244-L247 CarbonylContact O-C 3.52Å; I244-L247 WeakPolarHBondContact O-CB 3.36Å; I244-L247 PolarHBondContact O-N 2.74Å; S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 2.89Å; L247-D249 VanDerWaalsContact C-N 3.35Å; L247-A250 WeakPolarHBondContact O-CB 3.27Å; L247-A250 PolarHBondContact O-N 3.35Å; L247-L251 HydrophobicContact CD1-CD1 4.06Å; L247-L251 HydrophobicContact CD1-CG 4.2Å; L247-L251 HydrophobicContact CG-CD1 4.1Å; L247-L251 WeakPolarHBondContact O-CG 3.15Å; L247-L251 PolarHBondContact O-N 3.07Å; L247-F267 HydrophobicContact CD1-CD2 4.44Å; L247-F267 HydrophobicContact CD1-CE2 3.79Å; L247-F267 HydrophobicContact CD1-CZ 4.13Å; L247-F267 HydrophobicContact CD2-CE1 4.22Å; L247-F267 HydrophobicContact CD2-CE2 4.24Å; L247-F267 HydrophobicContact CD2-CZ 3.71Å; L247-L411 HydrophobicContact CD1-CD2 4.32Å; L247-L411 HydrophobicContact CD2-CD2 3.99Å; L247-V415 HydrophobicContact CD1-CG2 3.52Å; L247-L431 HydrophobicContact CB-CD2 4.01Å; L247-L431 HydrophobicContact CD1-CD1 4.25Å; L247-L431 HydrophobicContact CD1-CD2 4.43Å
248F94.4Very high85.9Confident12 Ų1257.6 Ų57.65%0.05329%0.293CS..Hα-helixtrans-57.9-50.1174.2-178.5-95.3000110.1Q225 F228 I244 S245 A250 L251 T252 T257 V259Q225-F248 HydrophobicContact CB-CD1 4.47Å; Q225-F248 HydrophobicContact CB-CE1 4.18Å; Q225-F248 HydrophobicContact CB-CE2 4.28Å; Q225-F248 HydrophobicContact CB-CZ 4.06Å; Q225-F248 HydrophobicContact CG-CD1 4.35Å; Q225-F248 HydrophobicContact CG-CG 4.44Å; F228-F248 HydrophobicContact CB-CD2 3.81Å; F228-F248 HydrophobicContact CB-CE2 4.18Å; F228-F248 HydrophobicContact CD1-CB 3.83Å; F228-F248 AromaticContact CD1-CD2 3.72Å; F228-F248 HydrophobicContact CD1-CD2 3.72Å; F228-F248 HydrophobicContact CD1-CG 4.27Å; F228-F248 HydrophobicContact CD2-CD2 4.39Å; F228-F248 HydrophobicContact CE1-CB 3.9Å; F228-F248 HydrophobicContact CE1-CD2 4.39Å; F228-F248 AromaticContact CG-CD2 3.72Å; F228-F248 HydrophobicContact CG-CD2 3.72Å; F228-F248 HydrophobicContact CG-CE2 4.47Å; I244-F248 PolarHBondContact O-N 2.85Å; S245-F248 WeakPolarHBondContact O-CB 3.42Å; S245-F248 PolarHBondContact O-N 3.32Å; S245-F248 VanDerWaalsContact O-N 3.15Å; F248-A250 PolarHBondContact O-N 2.94Å; F248-L251 PolarHBondContact O-N 3.32Å; F248-T252 HydrophobicContact CD1-CG2 4.1Å; F248-T252 HydrophobicContact CD2-CG2 4.41Å; F248-T252 HydrophobicContact CE1-CG2 3.76Å; F248-T252 HydrophobicContact CE2-CG2 4.1Å; F248-T252 HydrophobicContact CG-CG2 4.42Å; F248-T252 HydrophobicContact CZ-CG2 3.77Å; F248-T252 WeakPolarHBondContact O-CG2 3.22Å; F248-T252 PolarHBondContact O-N 3.39Å; F248-T252 PolarHBondContact O-OG1 2.79Å; F248-T257 WeakPolarHBondContact CZ-O 3.47Å; F248-V259 HydrophobicContact CD2-CG2 3.66Å; F248-V259 HydrophobicContact CE2-CG2 3.72Å
249D92.3Very high86Confident75 Ų7557.1 Ų57.140%0.40129%0.291SS..Hα-helixtrans-61.5-31.8177-64-22.7000113S245 L247 T252 K430S245-D249 PolarHBondContact O-N 3.39Å; L247-D249 VanDerWaalsContact C-N 3.35Å; D249-T252 WeakPolarHBondContact CA-OG1 3.37Å; D249-K430 HydrophobicContact CB-CD 4.21Å; D249-K430 VanDerWaalsContact O-CD 3.28Å; D249-K430 WeakPolarHBondContact O-CD 3.49Å; D249-K430 PolarHBondContact O-NZ 2.93Å
250A92.9Very high86.3Confident0 Ų056.4 Ų56.40%029%0.291CS..Hα-helixtrans-69.6-38.1174.900000112R246 L247 F248 V415 R423 A427 K430 L431R246-A250 WeakPolarHBondContact O-CB 3.41Å; R246-A250 PolarHBondContact O-N 3Å; L247-A250 WeakPolarHBondContact O-CB 3.27Å; L247-A250 PolarHBondContact O-N 3.35Å; F248-A250 PolarHBondContact O-N 2.94Å; A250-V415 HydrophobicContact CB-CG1 4.23Å; A250-V415 HydrophobicContact CB-CG2 4.31Å; A250-R423 PolarHBondContact O-NH2 2.72Å; A250-A427 WeakPolarHBondContact CB-O 3.41Å; A250-A427 WeakPolarHBondContact O-CB 3.48Å; A250-K430 HydrophobicContact CB-CB 4.29Å; A250-L431 HydrophobicContact CB-CD1 4.39Å; A250-L431 HydrophobicContact CB-CG 4.21Å
251L92.2Very high86.5Confident5 Ų555.4 Ų55.43%0.02629%0.286CS..Hα-helixtrans-86.4-21.1-177.3-67.5177.3000113.7F228 L247 F248 V259 V263 F267 V415 R423F228-L251 HydrophobicContact CE2-CD1 3.89Å; F228-L251 HydrophobicContact CZ-CD1 3.73Å; L247-L251 HydrophobicContact CD1-CD1 4.06Å; L247-L251 HydrophobicContact CD1-CG 4.2Å; L247-L251 HydrophobicContact CG-CD1 4.1Å; L247-L251 WeakPolarHBondContact O-CG 3.15Å; L247-L251 PolarHBondContact O-N 3.07Å; F248-L251 PolarHBondContact O-N 3.32Å; L251-V259 HydrophobicContact CB-CG1 4.39Å; L251-V259 HydrophobicContact CB-CG2 4.1Å; L251-V263 HydrophobicContact CD2-CG1 4.08Å; L251-F267 HydrophobicContact CD1-CD2 4.41Å; L251-F267 HydrophobicContact CD1-CG 4.23Å; L251-F267 HydrophobicContact CD2-CB 4.48Å; L251-V415 HydrophobicContact CD2-CG2 3.95Å; L251-V415 HydrophobicContact CG-CG2 4.37Å; L251-R423 PolarHBondContact O-NH2 3.21Å
252T89.9Confident86.6Confident13 Ų1358.6 Ų58.68%0.0830%0.303CS..SBendtrans-85.5144.2171.355.70000112.3F248 D249 H256 V259 R423F248-T252 HydrophobicContact CD1-CG2 4.1Å; F248-T252 HydrophobicContact CD2-CG2 4.41Å; F248-T252 HydrophobicContact CE1-CG2 3.76Å; F248-T252 HydrophobicContact CE2-CG2 4.1Å; F248-T252 HydrophobicContact CG-CG2 4.42Å; F248-T252 HydrophobicContact CZ-CG2 3.77Å; F248-T252 WeakPolarHBondContact O-CG2 3.22Å; F248-T252 PolarHBondContact O-N 3.39Å; F248-T252 PolarHBondContact O-OG1 2.79Å; D249-T252 WeakPolarHBondContact CA-OG1 3.37Å; T252-H256 WeakPolarHBondContact CB-O 3.49Å; T252-V259 HydrophobicContact CG2-CG2 3.84Å; T252-R423 VanDerWaalsContact C-NH2 3.28Å; T252-R423 PolarHBondContact O-NH2 2.99Å
253D74.8Confident86.8Confident76 Ų7657.8 Ų57.841%0.40629%0.292SS..  trans-93.2156.5166.3-92.1-48.4000109.4Q255 H256 R423D253-Q255 PolarHBondContact O-N 3.09Å; D253-H256 PolarHBondContact O-N 3.46Å; D253-R423 VanDerWaalsContact CG-CZ 3.4Å; D253-R423 WeakPolarHBondContact OD1-CD 3.22Å; D253-R423 IonicContact OD1-CZ 2.73Å; D253-R423 IonicContact OD1-NE 3.64Å; D253-R423 PolarHBondContact OD1-NE 2.65Å; D253-R423 IonicContact OD1-NH1 3.74Å; D253-R423 WeakPolarHBondContact OD2-CD 3.37Å; D253-R423 IonicContact OD2-CZ 3.76Å; D253-R423 VanDerWaalsContact OD2-CZ 3.26Å; D253-R423 IonicContact OD2-NE 2.76Å; D253-R423 PolarHBondContact OD2-NE 3.21Å; D253-R423 IonicContact OD2-NH1 3.82Å; D253-R423 PolarHBondContact OD2-NH1 3.01Å
254E66Low86.8Confident194 Ų19457.8 Ų57.891%0.90729%0.292SS*.THydrogen-bonded Turntrans-55.6-17-173.4-63.8-179.717600114.8
255Q60.7Low86.8Confident182 Ų18262.2 Ų62.285%0.8531%0.309SS*.THydrogen-bonded Turntrans-95.5-13.7178.2-64.2-178.7-6.300114.2D253D253-Q255 PolarHBondContact O-N 3.09Å
256H64.9Low86.8Confident126 Ų12664.2 Ų64.258%0.58332%0.316SS*.  trans-120.6123.5-173.9-68.7-63.6000111.9T252 D253 K258T252-H256 WeakPolarHBondContact CB-O 3.49Å; D253-H256 PolarHBondContact O-N 3.46Å; H256-K258 VanDerWaalsContact C-N 3.31Å; H256-K258 PolarHBondContact O-N 3.08Å
257T82.1Confident86.8Confident121 Ų12162.1 Ų62.174%0.74231%0.308SS*.SBendtrans-90.111.8177.255.20000113.7F248F248-T257 WeakPolarHBondContact CZ-O 3.47Å
258K90.9Very high86.7Confident116 Ų11663 Ų6350%0.50431%0.312SS..SBendtrans-140.1148.6-178.5-62.2-170.5-179.7-170.70111.1P222 L223 H256P222-K258 HydrophobicContact CB-CB 4.15Å; P222-K258 HydrophobicContact CB-CD 4.15Å; L223-K258 CarbonylContact O-C 3.59Å; L223-K258 VanDerWaalsContact O-CA 3.25Å; L223-K258 WeakPolarHBondContact O-CA 3.44Å; L223-K258 WeakPolarHBondContact O-CB 3.47Å; H256-K258 VanDerWaalsContact C-N 3.31Å; H256-K258 PolarHBondContact O-N 3.08Å
259V90.8Very high86.5Confident2 Ų263.1 Ų63.11%0.01231%0.314CS..BIsolated β-bridgetrans-87.3125174.7178.40000109.7P222 L223 F228 F248 L251 T252 V263 F264P222-V259 WeakPolarHBondContact CA-O 3.44Å; L223-V259 PolarHBondContact N-O 2.97Å; L223-V259 PolarHBondContact O-N 3.41Å; F228-V259 HydrophobicContact CD2-CB 4.25Å; F228-V259 HydrophobicContact CD2-CG1 4.46Å; F228-V259 HydrophobicContact CD2-CG2 4.01Å; F228-V259 HydrophobicContact CE2-CG1 4.34Å; F228-V259 HydrophobicContact CE2-CG2 4.17Å; F248-V259 HydrophobicContact CD2-CG2 3.66Å; F248-V259 HydrophobicContact CE2-CG2 3.72Å; L251-V259 HydrophobicContact CB-CG1 4.39Å; L251-V259 HydrophobicContact CB-CG2 4.1Å; T252-V259 HydrophobicContact CG2-CG2 3.84Å; V259-V263 HydrophobicContact CG1-CG1 4.47Å; V259-F264 HydrophobicContact CG1-CB 4.27Å
260D90.8Very high86.4Confident75 Ų7562.3 Ų62.340%0.40131%0.307SS..  trans-66.5138.3176.5-176.1-86000111.4N262 V263 F264D260-N262 PolarHBondContact O-N 3.28Å; D260-N262 WeakPolarHBondContact OD1-CA 3.48Å; D260-N262 WeakPolarHBondContact OD1-CB 3.33Å; D260-N262 PolarHBondContact OD1-N 3.07Å; D260-N262 PolarHBondContact OD1-ND2 3.45Å; D260-V263 HydrophobicContact CB-CB 4.31Å; D260-V263 HydrophobicContact CB-CG2 4Å; D260-V263 WeakPolarHBondContact O-CB 3.33Å; D260-V263 PolarHBondContact O-N 3.36Å; D260-V263 VanDerWaalsContact O-N 3.07Å; D260-F264 PolarHBondContact O-N 2.88Å
261P91.2Very high86.3Confident18 Ų1863.3 Ų63.312%0.11731%0.311CS..Hα-helixtrans-55.3-35.1179.1-2836.9000114.4Q220 N221 F264 R265Q220-P261 WeakPolarHBondContact O-CG 3.39Å; N221-P261 VanDerWaalsContact C-CG 3.42Å; P261-F264 PolarHBondContact O-N 3.29Å; P261-R265 WeakPolarHBondContact O-CB 3.03Å; P261-R265 PolarHBondContact O-N 3.42Å
262N90.9Very high86.2Confident95 Ų9564.9 Ų64.951%0.50832%0.317SS..Hα-helixtrans-70.9-39.8177.8-64.2-58.7000111.4D260 F264 R265 M266D260-N262 PolarHBondContact O-N 3.28Å; D260-N262 WeakPolarHBondContact OD1-CA 3.48Å; D260-N262 WeakPolarHBondContact OD1-CB 3.33Å; D260-N262 PolarHBondContact OD1-N 3.07Å; D260-N262 PolarHBondContact OD1-ND2 3.45Å; N262-F264 VanDerWaalsContact C-N 3.34Å; N262-R265 PolarHBondContact O-N 3.41Å; N262-M266 VanDerWaalsContact O-CG 3.29Å; N262-M266 WeakPolarHBondContact O-CG 3.42Å; N262-M266 PolarHBondContact O-N 2.94Å
263V91.6Very high86Confident35 Ų3568.9 Ų68.921%0.21234%0.335CS..Hα-helixtrans-61.4-46.2174.6175.30000109.8L251 V259 D260 R265 M266 F267 L419L251-V263 HydrophobicContact CD2-CG1 4.08Å; V259-V263 HydrophobicContact CG1-CG1 4.47Å; D260-V263 HydrophobicContact CB-CB 4.31Å; D260-V263 HydrophobicContact CB-CG2 4Å; D260-V263 WeakPolarHBondContact O-CB 3.33Å; D260-V263 PolarHBondContact O-N 3.36Å; D260-V263 VanDerWaalsContact O-N 3.07Å; V263-R265 PolarHBondContact O-N 3.41Å; V263-M266 PolarHBondContact O-N 3.06Å; V263-F267 WeakPolarHBondContact O-CB 3.45Å; V263-F267 PolarHBondContact O-N 2.97Å; V263-L419 HydrophobicContact CG1-CD2 4.13Å
264F92.8Very high86.6Confident0 Ų066.2 Ų66.20%032%0.322CS..Hα-helixtrans-58.7-46.2174.9-172.1-79.2000112F216 L218 P219 L223 F228 C231 I232 V259 D260 P261 N262 M266 F267 Y268F216-F264 HydrophobicContact CE1-CE1 4.41Å; F216-F264 AromaticContact CZ-CE1 3.92Å; F216-F264 HydrophobicContact CZ-CE1 3.92Å; F216-F264 HydrophobicContact CZ-CZ 4.19Å; L218-F264 HydrophobicContact CD2-CD1 4.19Å; L218-F264 HydrophobicContact CD2-CE1 4.17Å; P219-F264 VanDerWaalsContact CD-CD1 3.49Å; P219-F264 HydrophobicContact CG-CB 4.12Å; P219-F264 HydrophobicContact CG-CD1 3.43Å; P219-F264 VanDerWaalsContact CG-CD1 3.43Å; P219-F264 HydrophobicContact CG-CD2 4.31Å; P219-F264 HydrophobicContact CG-CE1 3.92Å; P219-F264 HydrophobicContact CG-CG 3.68Å; L223-F264 HydrophobicContact CD1-CD2 3.8Å; L223-F264 HydrophobicContact CD1-CE2 4.17Å; L223-F264 HydrophobicContact CD1-CG 4.36Å; F228-F264 AromaticContact CD2-CD2 3.96Å; F228-F264 HydrophobicContact CD2-CD2 3.96Å; F228-F264 HydrophobicContact CD2-CE2 4.08Å; F228-F264 AromaticContact CE2-CD2 3.66Å; F228-F264 HydrophobicContact CE2-CD2 3.66Å; F228-F264 AromaticContact CE2-CE2 3.8Å; F228-F264 HydrophobicContact CE2-CE2 3.8Å; C231-F264 HydrophobicContact CB-CE2 4.4Å; C231-F264 HydrophobicContact CB-CZ 4.44Å; C231-F264 WeakPolarHBondContact SG-CZ 3.49Å; I232-F264 HydrophobicContact CD1-CE2 3.63Å; I232-F264 HydrophobicContact CD1-CZ 4Å; I232-F264 HydrophobicContact CG1-CE2 4.19Å; V259-F264 HydrophobicContact CG1-CB 4.27Å; D260-F264 PolarHBondContact O-N 2.88Å; P261-F264 PolarHBondContact O-N 3.29Å; N262-F264 VanDerWaalsContact C-N 3.34Å; F264-M266 VanDerWaalsContact C-N 3.35Å; F264-M266 PolarHBondContact O-N 3.3Å; F264-F267 WeakPolarHBondContact O-CB 3.03Å; F264-F267 PolarHBondContact O-N 2.81Å; F264-Y268 WeakPolarHBondContact O-CB 3.22Å; F264-Y268 PolarHBondContact O-N 2.73Å
265R92.2Very high87.4Confident94 Ų9458.4 Ų58.436%0.35529%0.285SS..Hα-helixtrans-59.1-45.5178.1179.9-179.669.378.72.1111.6L218 P261 N262 V263 Y268 T269L218-R265 HydrophobicContact CD1-CG 4.04Å; P261-R265 WeakPolarHBondContact O-CB 3.03Å; P261-R265 PolarHBondContact O-N 3.42Å; N262-R265 PolarHBondContact O-N 3.41Å; V263-R265 PolarHBondContact O-N 3.41Å; R265-Y268 PolarHBondContact O-N 2.95Å; R265-T269 WeakPolarHBondContact O-CB 3.35Å; R265-T269 PolarHBondContact O-N 3.49Å; R265-T269 PolarHBondContact O-OG1 3.46Å
266M91.8Very high88.4Confident65 Ų6550.1 Ų50.132%0.3225%0.248SC..Hα-helixtrans-63.1-47.9177.5-68.9-58.3-6100110.7N262 V263 F264 Y268 T269 F270 C418N262-M266 VanDerWaalsContact O-CG 3.29Å; N262-M266 WeakPolarHBondContact O-CG 3.42Å; N262-M266 PolarHBondContact O-N 2.94Å; V263-M266 PolarHBondContact O-N 3.06Å; F264-M266 VanDerWaalsContact C-N 3.35Å; F264-M266 PolarHBondContact O-N 3.3Å; M266-Y268 PolarHBondContact O-N 3.11Å; M266-T269 WeakPolarHBondContact O-CB 3.18Å; M266-T269 PolarHBondContact O-N 2.86Å; M266-F270 HydrophobicContact CE-CD2 4.44Å; M266-F270 HydrophobicContact CE-CE2 3.74Å; M266-F270 VanDerWaalsContact O-CD2 3.26Å; M266-F270 WeakPolarHBondContact O-CD2 3.49Å; M266-F270 PolarHBondContact O-N 3.48Å; M266-C418 HydrophobicContact CB-CB 3.81Å
267F94.8Very high89.3Confident0 Ų047.4 Ų47.40%024%0.235CC..Hα-helixtrans-53.5-51.3174.6163.7-98.4000112.2I232 I237 L247 L251 V263 F264 T269 F270 W271 L411 A414 V415 C418I232-F267 HydrophobicContact CD1-CE1 3.77Å; I237-F267 HydrophobicContact CD1-CE1 3.76Å; I237-F267 HydrophobicContact CD1-CZ 4.24Å; I237-F267 HydrophobicContact CG2-CZ 4.41Å; L247-F267 HydrophobicContact CD1-CD2 4.44Å; L247-F267 HydrophobicContact CD1-CE2 3.79Å; L247-F267 HydrophobicContact CD1-CZ 4.13Å; L247-F267 HydrophobicContact CD2-CE1 4.22Å; L247-F267 HydrophobicContact CD2-CE2 4.24Å; L247-F267 HydrophobicContact CD2-CZ 3.71Å; L251-F267 HydrophobicContact CD1-CD2 4.41Å; L251-F267 HydrophobicContact CD1-CG 4.23Å; L251-F267 HydrophobicContact CD2-CB 4.48Å; V263-F267 WeakPolarHBondContact O-CB 3.45Å; V263-F267 PolarHBondContact O-N 2.97Å; F264-F267 WeakPolarHBondContact O-CB 3.03Å; F264-F267 PolarHBondContact O-N 2.81Å; F267-T269 VanDerWaalsContact C-N 3.3Å; F267-T269 PolarHBondContact O-N 3.25Å; F267-F270 PolarHBondContact O-N 2.97Å; F267-W271 PolarHBondContact O-N 2.88Å; F267-L411 HydrophobicContact CE2-CD2 4.06Å; F267-L411 HydrophobicContact CZ-CD2 3.78Å; F267-A414 HydrophobicContact CD2-CB 3.69Å; F267-A414 HydrophobicContact CE2-CB 3.6Å; F267-V415 HydrophobicContact CD2-CG2 4.34Å; F267-V415 HydrophobicContact CE2-CG2 4.41Å; F267-C418 HydrophobicContact CB-CB 4.21Å
268Y91.8Very high89.3Confident18 Ų1841.9 Ų41.97%0.07120%0.202CC..Hα-helixtrans-61.2-40.2179.2-176-92.3000112.1P54 F216 L218 C235 I237 F264 R265 M266 W271 K272P54-Y268 HydrophobicContact CG-CE1 4.45Å; F216-Y268 AromaticContact CD1-CE2 3.89Å; F216-Y268 HydrophobicContact CD1-CE2 3.89Å; F216-Y268 AromaticContact CD1-CZ 3.84Å; F216-Y268 AromaticContact CE1-CD2 3.95Å; F216-Y268 HydrophobicContact CE1-CD2 3.95Å; F216-Y268 AromaticContact CE1-CE2 3.66Å; F216-Y268 HydrophobicContact CE1-CE2 3.66Å; F216-Y268 HydrophobicContact CE1-CG 4.49Å; F216-Y268 AromaticContact CE1-CZ 3.96Å; L218-Y268 HydrophobicContact CD2-CD1 3.97Å; L218-Y268 HydrophobicContact CD2-CG 4.02Å; C235-Y268 HydrophobicContact CB-CD2 4.5Å; C235-Y268 HydrophobicContact CB-CE2 3.98Å; I237-Y268 HydrophobicContact CD1-CD2 3.9Å; I237-Y268 HydrophobicContact CD1-CE2 4.32Å; F264-Y268 WeakPolarHBondContact O-CB 3.22Å; F264-Y268 PolarHBondContact O-N 2.73Å; R265-Y268 PolarHBondContact O-N 2.95Å; M266-Y268 PolarHBondContact O-N 3.11Å; Y268-W271 PolarHBondContact O-N 3.27Å; Y268-K272 HydrophobicContact CD1-CG 4.23Å; Y268-K272 HydrophobicContact CE1-CG 3.8Å; Y268-K272 WeakPolarHBondContact O-CG 3.44Å; Y268-K272 PolarHBondContact O-N 2.83Å; Y268-K272 VanDerWaalsContact O-N 3.07Å
269T90.3Very high88.7Confident16 Ų1639 Ų3910%0.09819%0.19CC..Hα-helixtrans-61.5-51.4177.1-57.90000110.5R265 M266 F267 W271 K272 E273R265-T269 WeakPolarHBondContact O-CB 3.35Å; R265-T269 PolarHBondContact O-N 3.49Å; R265-T269 PolarHBondContact O-OG1 3.46Å; M266-T269 WeakPolarHBondContact O-CB 3.18Å; M266-T269 PolarHBondContact O-N 2.86Å; F267-T269 VanDerWaalsContact C-N 3.3Å; F267-T269 PolarHBondContact O-N 3.25Å; T269-W271 PolarHBondContact O-N 3.43Å; T269-K272 PolarHBondContact O-N 2.85Å; T269-E273 HydrophobicContact CG2-CG 4.4Å; T269-E273 WeakPolarHBondContact O-CB 3.44Å; T269-E273 WeakPolarHBondContact O-CG 3.45Å; T269-E273 PolarHBondContact O-N 2.67Å
270F91.3Very high88Confident58 Ų5842 Ų4225%0.25421%0.206SC..Hα-helixtrans-60.8-42.4178.2-85.9-73.7000112.4M266 F267 K272 E273 T274 A414 G417 C418M266-F270 HydrophobicContact CE-CD2 4.44Å; M266-F270 HydrophobicContact CE-CE2 3.74Å; M266-F270 VanDerWaalsContact O-CD2 3.26Å; M266-F270 WeakPolarHBondContact O-CD2 3.49Å; M266-F270 PolarHBondContact O-N 3.48Å; F267-F270 PolarHBondContact O-N 2.97Å; F270-K272 VanDerWaalsContact C-N 3.32Å; F270-K272 PolarHBondContact O-N 2.74Å; F270-E273 PolarHBondContact O-N 3.47Å; F270-T274 PolarHBondContact O-N 2.55Å; F270-T274 PolarHBondContact O-OG1 3.09Å; F270-A414 HydrophobicContact CB-CB 4.4Å; F270-G417 WeakPolarHBondContact CE2-O 3.34Å; F270-G417 WeakPolarHBondContact CZ-O 3.44Å; F270-C418 HydrophobicContact CD2-CB 4Å; F270-C418 HydrophobicContact CE2-CB 4.47Å
271W91.6Very high87.4Confident21 Ų2139.2 Ų39.28%0.0819%0.192CC..Hα-helixtrans-55.9-47.1174.8177-86.8000111.9I237 F267 Y268 T269 E275 L410 L411 A414I237-W271 HydrophobicContact CB-CZ2 4.49Å; I237-W271 HydrophobicContact CD1-CB 4.44Å; I237-W271 HydrophobicContact CD1-CD2 4.34Å; I237-W271 HydrophobicContact CD1-CG 3.99Å; I237-W271 HydrophobicContact CG1-CD2 4.27Å; I237-W271 HydrophobicContact CG1-CG 4.23Å; I237-W271 HydrophobicContact CG2-CD2 4Å; I237-W271 HydrophobicContact CG2-CE3 4.09Å; I237-W271 HydrophobicContact CG2-CH2 3.94Å; I237-W271 HydrophobicContact CG2-CZ2 3.86Å; I237-W271 HydrophobicContact CG2-CZ3 4.06Å; F267-W271 PolarHBondContact O-N 2.88Å; Y268-W271 PolarHBondContact O-N 3.27Å; T269-W271 PolarHBondContact O-N 3.43Å; W271-E275 WeakPolarHBondContact O-CB 3.49Å; W271-E275 PolarHBondContact O-N 2.92Å; W271-E275 VanDerWaalsContact O-N 3.09Å; W271-L410 HydrophobicContact CE3-CB 4.47Å; W271-L410 HydrophobicContact CH2-CB 4.04Å; W271-L410 HydrophobicContact CZ3-CB 3.65Å; W271-L411 HydrophobicContact CE3-CD2 4.06Å; W271-L411 HydrophobicContact CH2-CD2 4.47Å; W271-L411 HydrophobicContact CZ3-CD2 3.67Å; W271-L411 HydrophobicContact CZ3-CG 4.06Å; W271-A414 HydrophobicContact CB-CB 4.24Å; W271-A414 HydrophobicContact CE3-CB 4.38Å
272K88.6Confident86.4Confident38 Ų3844.9 Ų44.917%0.16522%0.221CC..Hα-helixtrans-71.3-33.8-179.6-70-70162.9-1630113.1Y268 T269 F270 E275 A276Y268-K272 HydrophobicContact CD1-CG 4.23Å; Y268-K272 HydrophobicContact CE1-CG 3.8Å; Y268-K272 WeakPolarHBondContact O-CG 3.44Å; Y268-K272 PolarHBondContact O-N 2.83Å; Y268-K272 VanDerWaalsContact O-N 3.07Å; T269-K272 PolarHBondContact O-N 2.85Å; F270-K272 VanDerWaalsContact C-N 3.32Å; F270-K272 PolarHBondContact O-N 2.74Å; K272-E275 IonicContact NZ-OE2 2.65Å; K272-E275 PolarHBondContact NZ-OE2 3.43Å; K272-A276 WeakPolarHBondContact O-CB 3.49Å; K272-A276 PolarHBondContact O-N 3.05Å
273E87.1Confident85.5Confident97 Ų9740.6 Ų40.645%0.45320%0.198SC..Hα-helixtrans-68.1-44.7175.1-75-179.7173.200112T269 F270 E275 A276 E277T269-E273 HydrophobicContact CG2-CG 4.4Å; T269-E273 WeakPolarHBondContact O-CB 3.44Å; T269-E273 WeakPolarHBondContact O-CG 3.45Å; T269-E273 PolarHBondContact O-N 2.67Å; F270-E273 PolarHBondContact O-N 3.47Å; E273-E275 VanDerWaalsContact C-N 3.32Å; E273-E275 PolarHBondContact O-N 3.28Å; E273-A276 PolarHBondContact O-N 3.09Å; E273-E277 WeakPolarHBondContact O-CB 3.27Å; E273-E277 PolarHBondContact O-N 2.86Å
274T85.9Confident84.6Confident20 Ų2043.4 Ų43.412%0.12321%0.211CC..Hα-helixtrans-61.8-42.1174.9-62.90000111F270 E277 A278 L410 D413F270-T274 PolarHBondContact O-N 2.55Å; F270-T274 PolarHBondContact O-OG1 3.09Å; T274-E277 PolarHBondContact O-N 2.63Å; T274-A278 WeakPolarHBondContact O-CB 3.48Å; T274-A278 PolarHBondContact O-N 2.88Å; T274-L410 HydrophobicContact CG2-CD2 4.41Å; T274-D413 WeakPolarHBondContact CG2-OD2 3.22Å; T274-D413 PolarHBondContact OG1-OD2 2.93Å; T274-D413 VanDerWaalsContact OG1-OD2 3.1Å
275E82.7Confident83.5Confident30 Ų3048.1 Ų48.114%0.1424%0.244CC..Hα-helixtrans-60.8-44174.3177.4161.4-10600112R26 W271 K272 E273 Q279R26-E275 IonicContact CZ-OE1 2.83Å; R26-E275 IonicContact NE-OE1 2.64Å; R26-E275 PolarHBondContact NE-OE1 3.29Å; R26-E275 IonicContact NH2-OE1 3.44Å; R26-E275 PolarHBondContact NH2-OE1 3.22Å; R26-E275 VanDerWaalsContact NH2-OE1 3.08Å; W271-E275 WeakPolarHBondContact O-CB 3.49Å; W271-E275 PolarHBondContact O-N 2.92Å; W271-E275 VanDerWaalsContact O-N 3.09Å; K272-E275 IonicContact NZ-OE2 2.65Å; K272-E275 PolarHBondContact NZ-OE2 3.43Å; E273-E275 VanDerWaalsContact C-N 3.32Å; E273-E275 PolarHBondContact O-N 3.28Å; E275-Q279 WeakPolarHBondContact O-CB 3.21Å; E275-Q279 VanDerWaalsContact O-CG 3.28Å; E275-Q279 WeakPolarHBondContact O-CG 3.41Å; E275-Q279 PolarHBondContact O-N 2.98Å; E275-Q279 VanDerWaalsContact O-N 3.11Å
276A82.8Confident82.4Confident8 Ų849 Ų497%0.06625%0.252CS..Hα-helixtrans-67-41.8176.400000112.4M51 K272 E273 A278 Q279 D280M51-A276 HydrophobicContact CE-CB 3.85Å; K272-A276 WeakPolarHBondContact O-CB 3.49Å; K272-A276 PolarHBondContact O-N 3.05Å; E273-A276 PolarHBondContact O-N 3.09Å; A276-A278 VanDerWaalsContact C-N 3.34Å; A276-A278 PolarHBondContact O-N 2.84Å; A276-Q279 PolarHBondContact O-N 2.74Å; A276-D280 VanDerWaalsContact O-CB 3.23Å; A276-D280 WeakPolarHBondContact O-CB 2.98Å; A276-D280 PolarHBondContact O-N 2.9Å
277E84.3Confident81.5Confident69 Ų6946.2 Ų46.232%0.32224%0.239SC..Hα-helixtrans-62.8-43.9179.4-164.7-174.8-174.100110.8E273 T274 Q279 D280 V281 L300 K312E273-E277 WeakPolarHBondContact O-CB 3.27Å; E273-E277 PolarHBondContact O-N 2.86Å; T274-E277 PolarHBondContact O-N 2.63Å; E277-Q279 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.47Å; E277-D280 PolarHBondContact O-N 2.93Å; E277-V281 WeakPolarHBondContact O-CG2 3.41Å; E277-V281 PolarHBondContact O-N 3.43Å; E277-L300 HydrophobicContact CG-CD1 3.85Å; E277-K312 IonicContact OE1-NZ 3.33Å; E277-K312 PolarHBondContact OE1-NZ 3.48Å
278A81.9Confident80.6Confident4 Ų446.7 Ų46.73%0.03324%0.242CC..Hα-helixtrans-62.6-39.4176.400000112.6T274 A276 V297T274-A278 WeakPolarHBondContact O-CB 3.48Å; T274-A278 PolarHBondContact O-N 2.88Å; A276-A278 VanDerWaalsContact C-N 3.34Å; A276-A278 PolarHBondContact O-N 2.84Å; A278-V297 HydrophobicContact CB-CG1 4.49Å; A278-V297 WeakPolarHBondContact CB-O 3.18Å
279Q77.4Confident79.7Confident55 Ų5550.2 Ų50.226%0.25727%0.27SS..Hα-helixtrans-75.8-27.1176.8-71.1178.214.600113.5I32 R36 E275 A276 E277I32-Q279 HydrophobicContact CD1-CB 4.36Å; I32-Q279 HydrophobicContact CD1-CG 4.28Å; I32-Q279 WeakPolarHBondContact CG2-O 3.49Å; R36-Q279 PolarHBondContact NH2-O 3.25Å; E275-Q279 WeakPolarHBondContact O-CB 3.21Å; E275-Q279 VanDerWaalsContact O-CG 3.28Å; E275-Q279 WeakPolarHBondContact O-CG 3.41Å; E275-Q279 PolarHBondContact O-N 2.98Å; E275-Q279 VanDerWaalsContact O-N 3.11Å; A276-Q279 PolarHBondContact O-N 2.74Å; E277-Q279 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.47Å
280D76.7Confident79Confident65 Ų6555.4 Ų55.435%0.34829%0.287SS..Hα-helixtrans-88.1-5.3-177.8-84.3-18.7000113.9R36 R48 A276 E277 N282R36-D280 VanDerWaalsContact NH2-CA 3.26Å; R36-D280 PolarHBondContact NH2-O 2.88Å; R36-D280 VanDerWaalsContact NH2-O 3.16Å; R48-D280 IonicContact CZ-OD2 3.37Å; R48-D280 VanDerWaalsContact CZ-OD2 3.31Å; R48-D280 IonicContact NE-OD2 3.49Å; R48-D280 PolarHBondContact NE-OD2 2.91Å; R48-D280 IonicContact NH2-OD2 2.67Å; R48-D280 PolarHBondContact NH2-OD2 2.93Å; A276-D280 VanDerWaalsContact O-CB 3.23Å; A276-D280 WeakPolarHBondContact O-CB 2.98Å; A276-D280 PolarHBondContact O-N 2.9Å; E277-D280 PolarHBondContact O-N 2.93Å; D280-N282 PolarHBondContact O-N 3.09Å
281V76.8Confident78.5Confident18 Ų1853.4 Ų53.411%0.10928%0.279CS..  trans-55.4131178.4-1740000110.7R36 E277 L283 V297 L300 L323R36-V281 PolarHBondContact NH1-O 3.26Å; R36-V281 PolarHBondContact NH2-O 3.13Å; E277-V281 WeakPolarHBondContact O-CG2 3.41Å; E277-V281 PolarHBondContact O-N 3.43Å; V281-L283 HydrophobicContact CG1-CD2 3.56Å; V281-L283 HydrophobicContact CG1-CG 3.8Å; V281-L283 PolarHBondContact O-N 2.9Å; V281-V297 HydrophobicContact CG2-CG1 4.38Å; V281-L300 HydrophobicContact CG2-CD1 3.19Å; V281-L300 HydrophobicContact CG2-CD2 3.99Å; V281-L300 HydrophobicContact CG2-CG 4.09Å; V281-L323 HydrophobicContact CG1-CD1 4.26Å
282N70.3Confident77.9Confident136 Ų13655.9 Ų55.973%0.72729%0.294SS*.  trans-92.485.1171-16225.7000109.2D280D280-N282 PolarHBondContact O-N 3.09Å
283L73.8Confident77Confident5 Ų559.7 Ų59.73%0.02632%0.316CS..  trans-77.7134.7171.8-63.6-178.5000109.4M29 V281 V287 V288 L291 V297 F321 L323M29-L283 HydrophobicContact CE-CB 4.49Å; M29-L283 HydrophobicContact CE-CD1 3.8Å; M29-L283 HydrophobicContact CE-CG 4.04Å; M29-L283 HydrophobicContact CG-CD1 4.03Å; M29-L283 HydrophobicContact SD-CD1 4.29Å; V281-L283 HydrophobicContact CG1-CD2 3.56Å; V281-L283 HydrophobicContact CG1-CG 3.8Å; V281-L283 PolarHBondContact O-N 2.9Å; L283-V287 HydrophobicContact CB-CB 4.44Å; L283-V287 HydrophobicContact CD1-CG1 4.38Å; L283-V287 HydrophobicContact CD2-CG1 4.28Å; L283-V288 HydrophobicContact CB-CG2 3.82Å; L283-V288 HydrophobicContact CD1-CG2 4.37Å; L283-L291 HydrophobicContact CD1-CD1 3.98Å; L283-V297 HydrophobicContact CD1-CG2 3.93Å; L283-F321 HydrophobicContact CD2-CE2 4.23Å; L283-F321 HydrophobicContact CD2-CZ 4.45Å; L283-L323 HydrophobicContact CD2-CD1 4.03Å; L283-L323 HydrophobicContact CD2-CD2 3.82Å
284L71.2Confident76.2Confident94 Ų9455.8 Ų55.849%0.49230%0.302SS..  trans-61.5148.2171.9-66.5163.6000110.1E286 V287 V288 P328L284-E286 PolarHBondContact O-N 2.77Å; L284-E286 VanDerWaalsContact O-N 3.13Å; L284-V287 HydrophobicContact CB-CG2 4.23Å; L284-V287 WeakPolarHBondContact O-CA 3.31Å; L284-V287 WeakPolarHBondContact O-CB 3.33Å; L284-V287 PolarHBondContact O-N 2.99Å; L284-V288 PolarHBondContact O-N 2.8Å; L284-P328 HydrophobicContact CD1-CB 3.35Å
285S70.2Confident76.1Confident99 Ų9955.1 Ų55.169%0.69230%0.298SS*.Hα-helixtrans-54.5-34.9-179-49.60000112.9V287 V288 S289S285-V287 VanDerWaalsContact C-N 3.33Å; S285-V287 PolarHBondContact O-N 3.28Å; S285-V288 PolarHBondContact O-N 3.36Å; S285-S289 PolarHBondContact O-N 3.31Å
286E69.9Low76.2Confident112 Ų11254 Ų5452%0.52329%0.293SS..Hα-helixtrans-63.4-38.3176.2-167.6-176.3168.400112.2L284 S289 R290L284-E286 PolarHBondContact O-N 2.77Å; L284-E286 VanDerWaalsContact O-N 3.13Å; E286-S289 PolarHBondContact O-N 3.38Å; E286-S289 PolarHBondContact O-OG 3.44Å; E286-R290 WeakPolarHBondContact O-CG 3.47Å; E286-R290 PolarHBondContact O-N 2.74Å; E286-R290 IonicContact OE1-CZ 3.58Å; E286-R290 IonicContact OE1-NE 2.85Å; E286-R290 IonicContact OE1-NH2 3.52Å; E286-R290 PolarHBondContact OE1-NH2 3.35Å
287V72.3Confident76.4Confident7 Ų753.8 Ų53.84%0.04229%0.291CS..Hα-helixtrans-68.2-42.5176.7-176.80000110.4L283 L284 S285 S289 R290 L291 F330L283-V287 HydrophobicContact CB-CB 4.44Å; L283-V287 HydrophobicContact CD1-CG1 4.38Å; L283-V287 HydrophobicContact CD2-CG1 4.28Å; L284-V287 HydrophobicContact CB-CG2 4.23Å; L284-V287 WeakPolarHBondContact O-CA 3.31Å; L284-V287 WeakPolarHBondContact O-CB 3.33Å; L284-V287 PolarHBondContact O-N 2.99Å; S285-V287 VanDerWaalsContact C-N 3.33Å; S285-V287 PolarHBondContact O-N 3.28Å; V287-S289 VanDerWaalsContact C-N 3.29Å; V287-S289 PolarHBondContact O-N 2.98Å; V287-R290 PolarHBondContact O-N 3.18Å; V287-L291 PolarHBondContact O-N 2.91Å; V287-F330 HydrophobicContact CB-CD2 4.47Å; V287-F330 HydrophobicContact CG1-CD2 3.59Å; V287-F330 HydrophobicContact CG1-CE2 4.04Å; V287-F330 HydrophobicContact CG1-CG 4.28Å; V287-F330 HydrophobicContact CG2-CB 3.7Å; V287-F330 HydrophobicContact CG2-CD2 4.25Å; V287-F330 HydrophobicContact CG2-CG 4.22Å
288V75.4Confident76.7Confident11 Ų1150.5 Ų50.57%0.06728%0.276CS..Hα-helixtrans-64.5-34.6178.5177.90000111.8M29 Q30 L33 L283 L284 S285 R290 L291M29-V288 HydrophobicContact CB-CG2 4.43Å; Q30-V288 HydrophobicContact CG-CG1 3.74Å; L33-V288 HydrophobicContact CD1-CB 4.29Å; L33-V288 HydrophobicContact CD1-CG1 4.11Å; L33-V288 HydrophobicContact CD1-CG2 3.75Å; L283-V288 HydrophobicContact CB-CG2 3.82Å; L283-V288 HydrophobicContact CD1-CG2 4.37Å; L284-V288 PolarHBondContact O-N 2.8Å; S285-V288 PolarHBondContact O-N 3.36Å; V288-R290 PolarHBondContact O-N 3.32Å; V288-L291 PolarHBondContact O-N 2.99Å
289S73.3Confident77.2Confident92 Ų9250.9 Ų50.964%0.64328%0.277SS*.Hα-helixtrans-67.7-17174.470.40000114.5S285 E286 V287S285-S289 PolarHBondContact O-N 3.31Å; E286-S289 PolarHBondContact O-N 3.38Å; E286-S289 PolarHBondContact O-OG 3.44Å; V287-S289 VanDerWaalsContact C-N 3.29Å; V287-S289 PolarHBondContact O-N 2.98Å
290R76.6Confident77.8Confident124 Ų12448.7 Ų48.747%0.46827%0.267SS..THydrogen-bonded Turntrans-97.3-8.2178.1-65.2176.7-173-149.77.5113.2E286 V287 V288 R319E286-R290 WeakPolarHBondContact O-CG 3.47Å; E286-R290 PolarHBondContact O-N 2.74Å; E286-R290 IonicContact OE1-CZ 3.58Å; E286-R290 IonicContact OE1-NE 2.85Å; E286-R290 IonicContact OE1-NH2 3.52Å; E286-R290 PolarHBondContact OE1-NH2 3.35Å; V287-R290 PolarHBondContact O-N 3.18Å; V288-R290 PolarHBondContact O-N 3.32Å; R290-R319 PolarHBondContact O-NH2 3.49Å
291L79.9Confident78.6Confident16 Ų1645.7 Ų45.78%0.08425%0.251CS..SBendtrans-80142.6174.4-66.6178.5000110.1M29 L283 V287 V288 E295M29-L291 HydrophobicContact CB-CD1 4.29Å; M29-L291 HydrophobicContact CG-CD1 3.98Å; L283-L291 HydrophobicContact CD1-CD1 3.98Å; V287-L291 PolarHBondContact O-N 2.91Å; V288-L291 PolarHBondContact O-N 2.99Å; L291-E295 HydrophobicContact CB-CB 4.36Å; L291-E295 HydrophobicContact CD2-CG 4.14Å
292D78.7Confident79.1Confident73 Ų7347.2 Ų47.239%0.3926%0.262SS..PPolyproline II helixtrans-70.8157.3175.3-66.2-27.4000110.7G294 E295 K318D292-G294 PolarHBondContact O-N 2.94Å; D292-E295 HydrophobicContact CB-CB 4.26Å; D292-E295 PolarHBondContact N-OE2 2.99Å; D292-E295 VanDerWaalsContact O-CB 3.27Å; D292-E295 WeakPolarHBondContact O-CB 3.38Å; D292-E295 PolarHBondContact O-N 3.25Å; D292-K318 WeakPolarHBondContact OD2-CD 3Å; D292-K318 IonicContact OD2-NZ 3.84Å; D292-K318 PolarHBondContact OD2-NZ 2.88Å
293D69.9Low80Confident118 Ų11848.4 Ų48.463%0.63126%0.256SS*.THydrogen-bonded Turntrans-56123.1172-64-33.3000110.1
294G70.6Confident80.8Confident16 Ų1648.4 Ų48.417%0.16526%0.257CS..THydrogen-bonded Turntrans86-5.1-176.800000116.2R25 D292R25-G294 VanDerWaalsContact NH2-CA 3.32Å; D292-G294 PolarHBondContact O-N 2.94Å
295E83.1Confident81.7Confident5 Ų551.3 Ų51.32%0.02327%0.265CS..  trans-76.3133.4175.6-170178.3-17200111.1L291 D292 T316 R319L291-E295 HydrophobicContact CB-CB 4.36Å; L291-E295 HydrophobicContact CD2-CG 4.14Å; D292-E295 HydrophobicContact CB-CB 4.26Å; D292-E295 PolarHBondContact N-OE2 2.99Å; D292-E295 VanDerWaalsContact O-CB 3.27Å; D292-E295 WeakPolarHBondContact O-CB 3.38Å; D292-E295 PolarHBondContact O-N 3.25Å; E295-T316 HydrophobicContact CG-CG2 3.88Å; E295-T316 WeakPolarHBondContact OE1-CB 3.43Å; E295-T316 WeakPolarHBondContact OE1-CG2 3.37Å; E295-T316 PolarHBondContact OE1-OG1 3.38Å; E295-R319 WeakPolarHBondContact OE1-CG 3.41Å; E295-R319 IonicContact OE1-CZ 3.92Å; E295-R319 IonicContact OE1-NE 2.92Å; E295-R319 PolarHBondContact OE1-NE 3.37Å; E295-R319 IonicContact OE1-NH2 2.71Å; E295-R319 IonicContact OE2-CZ 2.7Å; E295-R319 IonicContact OE2-NE 3.51Å; E295-R319 PolarHBondContact OE2-NE 2.97Å; E295-R319 IonicContact OE2-NH2 2.65Å; E295-R319 PolarHBondContact OE2-NH2 3.34Å
296C84.3Confident82.7Confident6 Ų647.2 Ų47.24%0.04124%0.236CC..  trans-139.7152.7176.678.10000112.4M29 S298 T316 Q317M29-C296 HydrophobicContact CG-CB 4.47Å; C296-S298 PolarHBondContact O-N 3.32Å; C296-S298 PolarHBondContact O-OG 3.46Å; C296-T316 WeakPolarHBondContact O-CA 3.34Å; C296-T316 WeakPolarHBondContact O-CB 3.39Å; C296-Q317 PolarHBondContact O-OE1 3.03Å; C296-Q317 PolarHBondContact SG-NE2 2.97Å
297V88.6Confident83.6Confident4 Ų444.9 Ų44.92%0.02423%0.232CC..  trans-64.8129.5170.1-178.70000107.7A278 V281 L283 L300 A314 F321A278-V297 HydrophobicContact CB-CG1 4.49Å; A278-V297 WeakPolarHBondContact CB-O 3.18Å; V281-V297 HydrophobicContact CG2-CG1 4.38Å; L283-V297 HydrophobicContact CD1-CG2 3.93Å; V297-L300 HydrophobicContact CG1-CD1 4.24Å; V297-L300 HydrophobicContact CG1-CD2 4.35Å; V297-L300 HydrophobicContact CG1-CG 4.01Å; V297-A314 HydrophobicContact CG1-CB 4.33Å; V297-F321 HydrophobicContact CG2-CE1 4.37Å; V297-F321 HydrophobicContact CG2-CZ 3.74Å
298S89.3Confident84.3Confident1 Ų148 Ų481%0.00724%0.244CC..  trans-109.9-31.8-179.2-61.20000112C296 M315 L410C296-S298 PolarHBondContact O-N 3.32Å; C296-S298 PolarHBondContact O-OG 3.46Å; S298-M315 PolarHBondContact N-O 3.32Å; S298-L410 WeakPolarHBondContact O-CD2 3.45Å
299K92.2Very high84.9Confident11 Ų1149.2 Ų49.25%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-150.2149.3178179.1171.2176.153.10111.4A314 M315 W379 I382 L410 D413K299-A314 WeakPolarHBondContact O-CA 3.24Å; K299-M315 HydrophobicContact CB-CB 4.39Å; K299-M315 HydrophobicContact CB-CE 3.99Å; K299-M315 PolarHBondContact N-O 2.88Å; K299-M315 PolarHBondContact O-N 3.26Å; K299-W379 HydrophobicContact CD-CH2 4.18Å; K299-W379 HydrophobicContact CD-CZ2 4.11Å; K299-W379 HydrophobicContact CG-CH2 4.03Å; K299-W379 HydrophobicContact CG-CZ2 4.06Å; K299-I382 HydrophobicContact CD-CD1 3.69Å; K299-L410 HydrophobicContact CB-CD2 4.41Å; K299-D413 HydrophobicContact CD-CB 4.38Å; K299-D413 WeakPolarHBondContact CE-OD1 3.21Å; K299-D413 IonicContact NZ-OD1 2.69Å; K299-D413 PolarHBondContact NZ-OD1 2.91Å; K299-D413 IonicContact NZ-OD2 2.72Å; K299-D413 PolarHBondContact NZ-OD2 3.48Å
300L91.5Very high85.7Confident10 Ų1047.7 Ų47.75%0.05225%0.245CC..EExtended strand (participates in β ladder)trans-122.7155.3169.1-62.4127.6000111.4E277 V281 V297 I313 A314 L323E277-L300 HydrophobicContact CG-CD1 3.85Å; V281-L300 HydrophobicContact CG2-CD1 3.19Å; V281-L300 HydrophobicContact CG2-CD2 3.99Å; V281-L300 HydrophobicContact CG2-CG 4.09Å; V297-L300 HydrophobicContact CG1-CD1 4.24Å; V297-L300 HydrophobicContact CG1-CD2 4.35Å; V297-L300 HydrophobicContact CG1-CG 4.01Å; L300-I313 CarbonylContact C-O 3.59Å; L300-I313 VanDerWaalsContact CA-O 3.32Å; L300-I313 WeakPolarHBondContact CA-O 3.33Å; L300-A314 HydrophobicContact CD2-CB 3.91Å; L300-L323 HydrophobicContact CD2-CD1 3.96Å
301S92.1Very high86.3Confident2 Ų241.8 Ų41.81%0.01422%0.223CC..PPolyproline II helixtrans-88.9166.2168.575.40000111.3K312 I313S301-K312 WeakPolarHBondContact O-CD 3.43Å; S301-I313 PolarHBondContact N-O 3.12Å; S301-I313 PolarHBondContact OG-N 2.93Å
302S88.9Confident86.9Confident49 Ų4944.2 Ų44.234%0.34323%0.233SC..PPolyproline II helixtrans-61.3170.4157.257.30000111.8V304 E375S302-V304 PolarHBondContact O-N 2.99Å; S302-E375 WeakPolarHBondContact CB-OE1 3.38Å; S302-E375 PolarHBondContact OG-OE1 2.74Å
303R89.3Confident87.6Confident161 Ų16140.9 Ų40.961%0.60822%0.215SC*.SBendtrans-67118177.6-176-176.4-178.71809.8109.8V310 E325R303-V310 HydrophobicContact CG-CG1 3.87Å; R303-E325 WeakPolarHBondContact CD-OE1 3.29Å; R303-E325 WeakPolarHBondContact CG-OE1 3.33Å; R303-E325 IonicContact CZ-OE1 3Å; R303-E325 IonicContact CZ-OE2 2.84Å; R303-E325 VanDerWaalsContact NE-CD 3.34Å; R303-E325 IonicContact NE-OE1 3.64Å; R303-E325 PolarHBondContact NE-OE1 2.93Å; R303-E325 IonicContact NE-OE2 3.93Å; R303-E325 PolarHBondContact NE-OE2 3.41Å; R303-E325 IonicContact NH1-OE2 3.31Å; R303-E325 IonicContact NH2-OE2 2.89Å; R303-E325 PolarHBondContact NH2-OE2 2.65Å
304V90.6Very high88.6Confident5 Ų535.2 Ų35.23%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-125.7150.3-172.6-69.80000113.2S302 T306 V310 G311 I313 N371 L372S302-V304 PolarHBondContact O-N 2.99Å; V304-T306 HydrophobicContact CG2-CG2 3.95Å; V304-V310 WeakPolarHBondContact O-CA 3.34Å; V304-G311 WeakPolarHBondContact CG2-O 3.4Å; V304-G311 PolarHBondContact N-O 2.96Å; V304-G311 PolarHBondContact O-N 2.88Å; V304-I313 HydrophobicContact CG2-CD1 4.29Å; V304-I313 HydrophobicContact CG2-CG1 4.08Å; V304-N371 WeakPolarHBondContact CG1-O 3.38Å; V304-L372 HydrophobicContact CB-CD2 4.45Å; V304-L372 HydrophobicContact CG1-CB 4.46Å; V304-L372 HydrophobicContact CG1-CD2 3.53Å; V304-L372 HydrophobicContact CG1-CG 4.01Å; V304-L372 HydrophobicContact CG2-CD2 4.39Å
305K90.2Very high89.7Confident155 Ų15534.5 Ų34.567%0.67418%0.177SC*.EExtended strand (participates in β ladder)trans-87.5126.6168.9-175.1176.8180179.60108.7N371K305-N371 PolarHBondContact O-N 2.96Å
306T90.9Very high90.1Very high13 Ų1334.2 Ų34.28%0.0818%0.176CC..EExtended strand (participates in β ladder)trans-123.3171178.776.20000111.1V304 Y308 G309 L322 F368 E369 A370V304-T306 HydrophobicContact CG2-CG2 3.95Å; T306-Y308 PolarHBondContact O-N 3.49Å; T306-Y308 PolarHBondContact OG1-N 3.47Å; T306-Y308 VanDerWaalsContact OG1-N 3.13Å; T306-G309 WeakPolarHBondContact CB-O 3.46Å; T306-G309 PolarHBondContact N-O 3.25Å; T306-G309 PolarHBondContact O-N 2.82Å; T306-G309 PolarHBondContact OG1-N 3.27Å; T306-G309 PolarHBondContact OG1-O 2.82Å; T306-L322 HydrophobicContact CG2-CD1 3.91Å; T306-L322 HydrophobicContact CG2-CD2 4.28Å; T306-L322 WeakPolarHBondContact OG1-CD2 3.48Å; T306-F368 HydrophobicContact CG2-CE2 4.3Å; T306-F368 HydrophobicContact CG2-CZ 3.93Å; T306-E369 CarbonylContact C-O 3.54Å; T306-E369 WeakPolarHBondContact CA-O 3.37Å; T306-E369 WeakPolarHBondContact CB-O 3.35Å; T306-A370 HydrophobicContact CG2-CB 3.97Å
307S88.6Confident90.2Very high64 Ų6435.8 Ų35.845%0.44818%0.182SC..THydrogen-bonded Turntrans-61.4-15.8170.452.90000113.7E369S307-E369 PolarHBondContact N-O 3Å; S307-E369 PolarHBondContact OG-N 2.79Å
308Y87Confident90.2Very high73 Ų7337.6 Ų37.629%0.28619%0.19SC..THydrogen-bonded Turntrans-112.921.8179.3-62.7-84.7000113.1T306 L331 E366 F368T306-Y308 PolarHBondContact O-N 3.49Å; T306-Y308 PolarHBondContact OG1-N 3.47Å; T306-Y308 VanDerWaalsContact OG1-N 3.13Å; Y308-L331 HydrophobicContact CD1-CD2 3.75Å; Y308-L331 HydrophobicContact CD2-CD2 3.7Å; Y308-L331 HydrophobicContact CE1-CD2 4.39Å; Y308-L331 HydrophobicContact CE2-CD2 4.32Å; Y308-L331 HydrophobicContact CG-CD2 3.36Å; Y308-E366 WeakPolarHBondContact OH-CB 3.16Å; Y308-E366 PolarHBondContact OH-OE2 2.97Å; Y308-F368 AromaticContact CD2-CD2 3.66Å; Y308-F368 HydrophobicContact CD2-CD2 3.66Å; Y308-F368 HydrophobicContact CD2-CE2 4.09Å; Y308-F368 AromaticContact CE2-CD2 3.86Å; Y308-F368 HydrophobicContact CE2-CD2 3.86Å
309G87.4Confident90.3Very high36 Ų3638.3 Ų38.337%0.37119%0.192SC..EExtended strand (participates in β ladder)trans104-168.8178.600000113.9T306T306-G309 WeakPolarHBondContact CB-O 3.46Å; T306-G309 PolarHBondContact N-O 3.25Å; T306-G309 PolarHBondContact O-N 2.82Å; T306-G309 PolarHBondContact OG1-N 3.27Å; T306-G309 PolarHBondContact OG1-O 2.82Å
310V89.8Confident90.4Very high59 Ų5937.8 Ų37.836%0.35819%0.19SC..EExtended strand (participates in β ladder)trans-94.7132.9-177-179.60000109.9R303 V304 E325R303-V310 HydrophobicContact CG-CG1 3.87Å; V304-V310 WeakPolarHBondContact O-CA 3.34Å; V310-E325 PolarHBondContact O-N 3.44Å
311G90.4Very high90.3Very high0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-174.6-169.2-178.400000113.9V304 L323V304-G311 WeakPolarHBondContact CG2-O 3.4Å; V304-G311 PolarHBondContact N-O 2.96Å; V304-G311 PolarHBondContact O-N 2.88Å; G311-L323 CarbonylContact C-O 3.47Å; G311-L323 WeakPolarHBondContact CA-O 3.45Å
312K91.4Very high90.3Very high67 Ų6737.2 Ų37.229%0.29119%0.187SC..EExtended strand (participates in β ladder)trans-111.5135.4170.9-69.6-170.6170.8-161.40110.4E277 S301 L323E277-K312 IonicContact OE1-NZ 3.33Å; E277-K312 PolarHBondContact OE1-NZ 3.48Å; S301-K312 WeakPolarHBondContact O-CD 3.43Å; K312-L323 PolarHBondContact N-O 3.09Å; K312-L323 PolarHBondContact O-N 2.85Å
313I92.9Very high90.2Very high3 Ų336.5 Ų36.52%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-80.3128.5169.7-57.1176.5000107.5L300 S301 V304 L320 L322 I333 F368 A370 L372 W379L300-I313 CarbonylContact C-O 3.59Å; L300-I313 VanDerWaalsContact CA-O 3.32Å; L300-I313 WeakPolarHBondContact CA-O 3.33Å; S301-I313 PolarHBondContact N-O 3.12Å; S301-I313 PolarHBondContact OG-N 2.93Å; V304-I313 HydrophobicContact CG2-CD1 4.29Å; V304-I313 HydrophobicContact CG2-CG1 4.08Å; I313-L320 HydrophobicContact CG2-CD2 4.45Å; I313-L322 HydrophobicContact CG1-CD1 4.36Å; I313-I333 HydrophobicContact CG1-CD1 4.35Å; I313-I333 HydrophobicContact CG2-CD1 4Å; I313-F368 HydrophobicContact CD1-CE1 4.15Å; I313-F368 HydrophobicContact CD1-CZ 4.2Å; I313-F368 HydrophobicContact CG1-CZ 4.49Å; I313-A370 HydrophobicContact CD1-CB 3.81Å; I313-L372 HydrophobicContact CD1-CD1 4.18Å; I313-L372 HydrophobicContact CD1-CD2 4.11Å; I313-L372 HydrophobicContact CD1-CG 4.44Å; I313-W379 HydrophobicContact CB-CH2 4.47Å; I313-W379 HydrophobicContact CG2-CH2 4.16Å; I313-W379 HydrophobicContact CG2-CZ3 3.98Å
314A91.6Very high90Very high0 Ų030.8 Ų30.80%016%0.162CC..EExtended strand (participates in β ladder)trans-116138.2174.600000109.5V297 K299 L300 L320 F321 L323V297-A314 HydrophobicContact CG1-CB 4.33Å; K299-A314 WeakPolarHBondContact O-CA 3.24Å; L300-A314 HydrophobicContact CD2-CB 3.91Å; A314-L320 WeakPolarHBondContact O-CA 3.49Å; A314-F321 HydrophobicContact CB-CD1 4.27Å; A314-F321 HydrophobicContact CB-CD2 3.77Å; A314-F321 HydrophobicContact CB-CE1 3.89Å; A314-F321 HydrophobicContact CB-CE2 3.33Å; A314-F321 HydrophobicContact CB-CG 4.23Å; A314-F321 HydrophobicContact CB-CZ 3.41Å; A314-F321 VanDerWaalsContact CB-CZ 3.41Å; A314-F321 PolarHBondContact N-O 3.42Å; A314-F321 PolarHBondContact O-N 3.32Å; A314-L323 HydrophobicContact CB-CD1 4.22Å; A314-L323 HydrophobicContact CB-CG 4.49Å
315M94.2Very high89.3Confident0 Ų034.6 Ų34.60%018%0.18CC..EExtended strand (participates in β ladder)trans-114.2131.3179.3-178176.78000110.2S298 K299 L320 F336 W379 I382 M386 L406 V409S298-M315 PolarHBondContact N-O 3.32Å; K299-M315 HydrophobicContact CB-CB 4.39Å; K299-M315 HydrophobicContact CB-CE 3.99Å; K299-M315 PolarHBondContact N-O 2.88Å; K299-M315 PolarHBondContact O-N 3.26Å; M315-L320 HydrophobicContact CB-CD2 3.83Å; M315-L320 HydrophobicContact CG-CD2 3.85Å; M315-L320 HydrophobicContact SD-CD2 4.46Å; M315-F336 HydrophobicContact CG-CE2 4.41Å; M315-F336 HydrophobicContact CG-CZ 3.85Å; M315-F336 HydrophobicContact SD-CZ 4.01Å; M315-W379 HydrophobicContact CB-CH2 4.4Å; M315-W379 HydrophobicContact CB-CZ3 4.26Å; M315-I382 HydrophobicContact CE-CG2 3.95Å; M315-I382 HydrophobicContact SD-CG2 3.44Å; M315-I382 WeakPolarHBondContact SD-CG2 3.44Å; M315-M386 HydrophobicContact SD-CG 4.07Å; M315-L406 HydrophobicContact CE-CD1 4.04Å; M315-V409 HydrophobicContact CE-CG2 3.63Å
316T91.3Very high88.2Confident0 Ų031.1 Ų31.10%019%0.188CC..  trans-106.4-176.8167.374.30000110.6E295 C296 K318 R319 F321E295-T316 HydrophobicContact CG-CG2 3.88Å; E295-T316 WeakPolarHBondContact OE1-CB 3.43Å; E295-T316 WeakPolarHBondContact OE1-CG2 3.37Å; E295-T316 PolarHBondContact OE1-OG1 3.38Å; C296-T316 WeakPolarHBondContact O-CA 3.34Å; C296-T316 WeakPolarHBondContact O-CB 3.39Å; T316-K318 PolarHBondContact O-N 3.35Å; T316-K318 PolarHBondContact OG1-N 3.15Å; T316-R319 PolarHBondContact N-O 3.41Å; T316-R319 PolarHBondContact OG1-N 3.14Å; T316-R319 PolarHBondContact OG1-O 2.83Å; T316-F321 HydrophobicContact CG2-CD1 4.18Å; T316-F321 HydrophobicContact CG2-CE1 3.49Å; T316-F321 VanDerWaalsContact CG2-CE1 3.49Å
317Q87.2Confident86.5Confident38 Ų3838 Ų3818%0.17822%0.219CC..SBendtrans-65.2-13.9170.3-49.593-22.700112.9C296 M402 L406C296-Q317 PolarHBondContact O-OE1 3.03Å; C296-Q317 PolarHBondContact SG-NE2 2.97Å; Q317-M402 WeakPolarHBondContact O-CE 3.18Å; Q317-L406 HydrophobicContact CB-CD2 4.4Å; Q317-L406 HydrophobicContact CG-CD2 3.55Å
318K88.4Confident84.9Confident42 Ų4239.3 Ų39.318%0.18323%0.226CC..SBendtrans-119.3-34.9-171.1-71.1-179.9169.8177.70114.1M18 D292 T316 F336M18-K318 WeakPolarHBondContact SD-CE 3.34Å; M18-K318 HydrophobicContact SD-CG 4.34Å; D292-K318 WeakPolarHBondContact OD2-CD 3Å; D292-K318 IonicContact OD2-NZ 3.84Å; D292-K318 PolarHBondContact OD2-NZ 2.88Å; T316-K318 PolarHBondContact O-N 3.35Å; T316-K318 PolarHBondContact OG1-N 3.15Å; K318-F336 VanDerWaalsContact O-CD2 3.22Å; K318-F336 WeakPolarHBondContact O-CD2 3.25Å; K318-F336 PolarHBondContact O-N 2.84Å; K318-F336 VanDerWaalsContact O-N 3.09Å
319R90.6Very high83.9Confident16 Ų1637.1 Ų37.16%0.0623%0.226CC..EExtended strand (participates in β ladder)trans-156.2166.8-166.156.2-178.7159.1-179.4-3.8113.9R290 E295 T316 E332 A334 K335R290-R319 PolarHBondContact O-NH2 3.49Å; E295-R319 WeakPolarHBondContact OE1-CG 3.41Å; E295-R319 IonicContact OE1-CZ 3.92Å; E295-R319 IonicContact OE1-NE 2.92Å; E295-R319 PolarHBondContact OE1-NE 3.37Å; E295-R319 IonicContact OE1-NH2 2.71Å; E295-R319 IonicContact OE2-CZ 2.7Å; E295-R319 IonicContact OE2-NE 3.51Å; E295-R319 PolarHBondContact OE2-NE 2.97Å; E295-R319 IonicContact OE2-NH2 2.65Å; E295-R319 PolarHBondContact OE2-NH2 3.34Å; T316-R319 PolarHBondContact N-O 3.41Å; T316-R319 PolarHBondContact OG1-N 3.14Å; T316-R319 PolarHBondContact OG1-O 2.83Å; R319-E332 WeakPolarHBondContact CD-OE2 3.41Å; R319-E332 IonicContact CZ-OE2 3.61Å; R319-E332 IonicContact NE-OE2 3.48Å; R319-E332 IonicContact NH1-OE2 3.21Å; R319-E332 PolarHBondContact NH1-OE2 3.27Å; R319-A334 WeakPolarHBondContact CA-O 3.37Å; R319-A334 WeakPolarHBondContact CB-O 3.39Å; R319-K335 HydrophobicContact CB-CB 4.32Å; R319-K335 HydrophobicContact CB-CG 4.06Å
320L93.6Very high83.2Confident0 Ų037.3 Ų37.30%022%0.216CC..EExtended strand (participates in β ladder)trans-106.8138.1171.8-61.2169.9000109.4I313 A314 M315 I333 A334 F336 I359 W379 I383I313-L320 HydrophobicContact CG2-CD2 4.45Å; A314-L320 WeakPolarHBondContact O-CA 3.49Å; M315-L320 HydrophobicContact CB-CD2 3.83Å; M315-L320 HydrophobicContact CG-CD2 3.85Å; M315-L320 HydrophobicContact SD-CD2 4.46Å; L320-I333 HydrophobicContact CB-CB 4.03Å; L320-I333 HydrophobicContact CB-CD1 4.22Å; L320-I333 HydrophobicContact CB-CG2 4.49Å; L320-I333 WeakPolarHBondContact O-CB 3.3Å; L320-I333 PolarHBondContact O-N 3.45Å; L320-A334 PolarHBondContact N-O 2.95Å; L320-A334 PolarHBondContact O-N 3.36Å; L320-F336 HydrophobicContact CD1-CE1 4.31Å; L320-F336 HydrophobicContact CD2-CE1 4.31Å; L320-F336 HydrophobicContact CD2-CZ 4.14Å; L320-F336 HydrophobicContact CG-CE1 4.08Å; L320-F336 HydrophobicContact CG-CZ 4.2Å; L320-I359 HydrophobicContact CD1-CD1 3.82Å; L320-W379 HydrophobicContact CD2-CZ3 4.29Å; L320-I383 HydrophobicContact CD1-CD1 3.76Å; L320-I383 HydrophobicContact CD1-CG1 3.88Å; L320-I383 HydrophobicContact CD1-CG2 4.17Å; L320-I383 HydrophobicContact CD2-CG1 4.49Å
321F90.6Very high83Confident0 Ų036.4 Ų36.40%021%0.209CC..EExtended strand (participates in β ladder)trans-140.5153.8172.160.5-92.3000111.9L283 V297 A314 T316 L323 F330 L331L283-F321 HydrophobicContact CD2-CE2 4.23Å; L283-F321 HydrophobicContact CD2-CZ 4.45Å; V297-F321 HydrophobicContact CG2-CE1 4.37Å; V297-F321 HydrophobicContact CG2-CZ 3.74Å; A314-F321 HydrophobicContact CB-CD1 4.27Å; A314-F321 HydrophobicContact CB-CD2 3.77Å; A314-F321 HydrophobicContact CB-CE1 3.89Å; A314-F321 HydrophobicContact CB-CE2 3.33Å; A314-F321 HydrophobicContact CB-CG 4.23Å; A314-F321 HydrophobicContact CB-CZ 3.41Å; A314-F321 VanDerWaalsContact CB-CZ 3.41Å; A314-F321 PolarHBondContact N-O 3.42Å; A314-F321 PolarHBondContact O-N 3.32Å; T316-F321 HydrophobicContact CG2-CD1 4.18Å; T316-F321 HydrophobicContact CG2-CE1 3.49Å; T316-F321 VanDerWaalsContact CG2-CE1 3.49Å; F321-L323 HydrophobicContact CD2-CD2 4Å; F321-L323 HydrophobicContact CD2-CG 4.05Å; F321-L323 HydrophobicContact CE2-CD1 4.18Å; F321-L323 HydrophobicContact CE2-CD2 3.68Å; F321-L323 HydrophobicContact CE2-CG 3.79Å; F321-F330 HydrophobicContact CB-CD2 4.12Å; F321-F330 HydrophobicContact CB-CE2 3.59Å; F321-F330 HydrophobicContact CB-CZ 4.29Å; F321-F330 HydrophobicContact CD1-CE2 4.17Å; F321-F330 AromaticContact CD2-CD2 3.92Å; F321-F330 HydrophobicContact CD2-CD2 3.92Å; F321-F330 AromaticContact CD2-CE2 3.88Å; F321-F330 HydrophobicContact CD2-CE2 3.88Å; F321-F330 HydrophobicContact CG-CD2 4.14Å; F321-F330 AromaticContact CG-CE2 3.64Å; F321-F330 HydrophobicContact CG-CE2 3.64Å; F321-L331 CarbonylContact C-O 3.56Å; F321-L331 VanDerWaalsContact CA-O 3.23Å; F321-L331 WeakPolarHBondContact CA-O 3.46Å; F321-L331 WeakPolarHBondContact CB-O 3.45Å
322L90.8Very high82.9Confident0 Ų038.4 Ų38.40%022%0.219CC..EExtended strand (participates in β ladder)trans-99.8125.4176.2-177.967000109.4T306 I313 T324 L331 I333T306-L322 HydrophobicContact CG2-CD1 3.91Å; T306-L322 HydrophobicContact CG2-CD2 4.28Å; T306-L322 WeakPolarHBondContact OG1-CD2 3.48Å; I313-L322 HydrophobicContact CG1-CD1 4.36Å; L322-T324 HydrophobicContact CD2-CG2 3.98Å; L322-T324 HydrophobicContact CG-CG2 4.15Å; L322-L331 HydrophobicContact CB-CB 4.32Å; L322-L331 PolarHBondContact N-O 3.11Å; L322-L331 PolarHBondContact O-N 3.47Å; L322-I333 HydrophobicContact CB-CD1 4.13Å; L322-I333 HydrophobicContact CB-CG1 4.23Å
323L88.3Confident82.9Confident35 Ų3535.6 Ų35.618%0.18321%0.207CC..EExtended strand (participates in β ladder)trans-92.3101.6168.6-66.7174.6000108.3V281 L283 L300 G311 K312 A314 F321V281-L323 HydrophobicContact CG1-CD1 4.26Å; L283-L323 HydrophobicContact CD2-CD1 4.03Å; L283-L323 HydrophobicContact CD2-CD2 3.82Å; L300-L323 HydrophobicContact CD2-CD1 3.96Å; G311-L323 CarbonylContact C-O 3.47Å; G311-L323 WeakPolarHBondContact CA-O 3.45Å; K312-L323 PolarHBondContact N-O 3.09Å; K312-L323 PolarHBondContact O-N 2.85Å; A314-L323 HydrophobicContact CB-CD1 4.22Å; A314-L323 HydrophobicContact CB-CG 4.49Å; F321-L323 HydrophobicContact CD2-CD2 4Å; F321-L323 HydrophobicContact CD2-CG 4.05Å; F321-L323 HydrophobicContact CE2-CD1 4.18Å; F321-L323 HydrophobicContact CE2-CD2 3.68Å; F321-L323 HydrophobicContact CE2-CG 3.79Å
324T84.8Confident82.8Confident41 Ų4135.7 Ų35.725%0.25221%0.208SC..EExtended strand (participates in β ladder)trans-76.8143.5-178.255.20000111.6L322 Q327 G329L322-T324 HydrophobicContact CD2-CG2 3.98Å; L322-T324 HydrophobicContact CG-CG2 4.15Å; T324-Q327 PolarHBondContact OG1-O 3.26Å; T324-Q327 VanDerWaalsContact OG1-O 3.07Å; T324-G329 PolarHBondContact N-O 3.26Å; T324-G329 WeakPolarHBondContact OG1-CA 3.22Å; T324-G329 PolarHBondContact OG1-N 2.89Å; T324-G329 PolarHBondContact OG1-O 3.5Å
325E76.4Confident82.8Confident85 Ų8538.4 Ų38.440%0.39722%0.22SC..SBendtrans-94138.8173-69.4175.4171.600111.3R303 V310R303-E325 WeakPolarHBondContact CD-OE1 3.29Å; R303-E325 WeakPolarHBondContact CG-OE1 3.33Å; R303-E325 IonicContact CZ-OE1 3Å; R303-E325 IonicContact CZ-OE2 2.84Å; R303-E325 VanDerWaalsContact NE-CD 3.34Å; R303-E325 IonicContact NE-OE1 3.64Å; R303-E325 PolarHBondContact NE-OE1 2.93Å; R303-E325 IonicContact NE-OE2 3.93Å; R303-E325 PolarHBondContact NE-OE2 3.41Å; R303-E325 IonicContact NH1-OE2 3.31Å; R303-E325 IonicContact NH2-OE2 2.89Å; R303-E325 PolarHBondContact NH2-OE2 2.65Å; V310-E325 PolarHBondContact O-N 3.44Å
326G65.7Low82.8Confident82 Ų8238.5 Ų38.585%0.84522%0.22SC*.SBendtrans102.9-65.7176.800000113.4
327Q56.2Low82.7Confident156 Ų15645.4 Ų45.473%0.72925%0.246SC*.SBendtrans-92.9132.6169.8-71-68.3-23.100109.2T324 G329T324-Q327 PolarHBondContact OG1-O 3.26Å; T324-Q327 VanDerWaalsContact OG1-O 3.07Å; Q327-G329 VanDerWaalsContact C-N 3.32Å; Q327-G329 PolarHBondContact O-N 2.81Å
328P55.5Low82.9Confident92 Ų9245.8 Ų45.860%0.59725%0.249SC*.  trans-63.79617325.7-30.9000108.5L284L284-P328 HydrophobicContact CD1-CB 3.35Å
329G64.2Low83.2Confident27 Ų2743.9 Ų43.928%0.27824%0.241SC..  trans-135.6133.3-173.100000110.7T324 Q327T324-G329 PolarHBondContact N-O 3.26Å; T324-G329 WeakPolarHBondContact OG1-CA 3.22Å; T324-G329 PolarHBondContact OG1-N 2.89Å; T324-G329 PolarHBondContact OG1-O 3.5Å; Q327-G329 VanDerWaalsContact C-N 3.32Å; Q327-G329 PolarHBondContact O-N 2.81Å
330F74Confident83.2Confident40 Ų4046.9 Ų46.918%0.17526%0.256CS..EExtended strand (participates in β ladder)trans-114.9120.2170.5161.4-92.4000108V287 F321 E332V287-F330 HydrophobicContact CB-CD2 4.47Å; V287-F330 HydrophobicContact CG1-CD2 3.59Å; V287-F330 HydrophobicContact CG1-CE2 4.04Å; V287-F330 HydrophobicContact CG1-CG 4.28Å; V287-F330 HydrophobicContact CG2-CB 3.7Å; V287-F330 HydrophobicContact CG2-CD2 4.25Å; V287-F330 HydrophobicContact CG2-CG 4.22Å; F321-F330 HydrophobicContact CB-CD2 4.12Å; F321-F330 HydrophobicContact CB-CE2 3.59Å; F321-F330 HydrophobicContact CB-CZ 4.29Å; F321-F330 HydrophobicContact CD1-CE2 4.17Å; F321-F330 AromaticContact CD2-CD2 3.92Å; F321-F330 HydrophobicContact CD2-CD2 3.92Å; F321-F330 AromaticContact CD2-CE2 3.88Å; F321-F330 HydrophobicContact CD2-CE2 3.88Å; F321-F330 HydrophobicContact CG-CD2 4.14Å; F321-F330 AromaticContact CG-CE2 3.64Å; F321-F330 HydrophobicContact CG-CE2 3.64Å; F330-E332 HydrophobicContact CE1-CB 4.28Å; F330-E332 HydrophobicContact CZ-CB 4.22Å
331L85.7Confident83Confident41 Ų4150.3 Ų50.322%0.21527%0.272CS..EExtended strand (participates in β ladder)trans-117.8112.5173.4-17872.7000109.3Y308 F321 L322 I333Y308-L331 HydrophobicContact CD1-CD2 3.75Å; Y308-L331 HydrophobicContact CD2-CD2 3.7Å; Y308-L331 HydrophobicContact CE1-CD2 4.39Å; Y308-L331 HydrophobicContact CE2-CD2 4.32Å; Y308-L331 HydrophobicContact CG-CD2 3.36Å; F321-L331 CarbonylContact C-O 3.56Å; F321-L331 VanDerWaalsContact CA-O 3.23Å; F321-L331 WeakPolarHBondContact CA-O 3.46Å; F321-L331 WeakPolarHBondContact CB-O 3.45Å; L322-L331 HydrophobicContact CB-CB 4.32Å; L322-L331 PolarHBondContact N-O 3.11Å; L322-L331 PolarHBondContact O-N 3.47Å; L331-I333 PolarHBondContact O-N 3.06Å
332E88Confident83.1Confident41 Ų4150.7 Ų50.719%0.19227%0.274CS..EExtended strand (participates in β ladder)trans-66119.2166.4-173.9173.9108.400108.6R319 F330 K335 R364R319-E332 WeakPolarHBondContact CD-OE2 3.41Å; R319-E332 IonicContact CZ-OE2 3.61Å; R319-E332 IonicContact NE-OE2 3.48Å; R319-E332 IonicContact NH1-OE2 3.21Å; R319-E332 PolarHBondContact NH1-OE2 3.27Å; F330-E332 HydrophobicContact CE1-CB 4.28Å; F330-E332 HydrophobicContact CZ-CB 4.22Å; E332-K335 WeakPolarHBondContact OE1-CE 3.44Å; E332-R364 PolarHBondContact O-NH1 3.46Å; E332-R364 PolarHBondContact O-NH2 2.91Å
333I90.6Very high83.1Confident9 Ų955.9 Ų55.95%0.04630%0.297CS..EExtended strand (participates in β ladder)trans-79.2-59.3179.1-62.8164.6000108.6I313 L320 L322 L331 I359 F368I313-I333 HydrophobicContact CG1-CD1 4.35Å; I313-I333 HydrophobicContact CG2-CD1 4Å; L320-I333 HydrophobicContact CB-CB 4.03Å; L320-I333 HydrophobicContact CB-CD1 4.22Å; L320-I333 HydrophobicContact CB-CG2 4.49Å; L320-I333 WeakPolarHBondContact O-CB 3.3Å; L320-I333 PolarHBondContact O-N 3.45Å; L322-I333 HydrophobicContact CB-CD1 4.13Å; L322-I333 HydrophobicContact CB-CG1 4.23Å; L331-I333 PolarHBondContact O-N 3.06Å; I333-I359 HydrophobicContact CG2-CD1 4.1Å; I333-F368 HydrophobicContact CD1-CE1 3.94Å; I333-F368 HydrophobicContact CD1-CE2 3.9Å; I333-F368 HydrophobicContact CD1-CZ 3.53Å; I333-F368 HydrophobicContact CG1-CD2 4.1Å; I333-F368 HydrophobicContact CG1-CE1 4.41Å; I333-F368 HydrophobicContact CG1-CE2 3.77Å; I333-F368 HydrophobicContact CG1-CZ 3.94Å; I333-F368 HydrophobicContact CG2-CB 4.04Å; I333-F368 HydrophobicContact CG2-CD1 3.64Å; I333-F368 HydrophobicContact CG2-CD2 3.9Å; I333-F368 HydrophobicContact CG2-CE1 4.01Å; I333-F368 HydrophobicContact CG2-CE2 4.27Å; I333-F368 HydrophobicContact CG2-CG 3.57Å; I333-F368 HydrophobicContact CG2-CZ 4.32Å
334A91.9Very high83.2Confident4 Ų458.9 Ų58.93%0.03331%0.311CS..EExtended strand (participates in β ladder)trans-163.2144.6-179.900000110.6R319 L320 I339 I359 T361R319-A334 WeakPolarHBondContact CA-O 3.37Å; R319-A334 WeakPolarHBondContact CB-O 3.39Å; L320-A334 PolarHBondContact N-O 2.95Å; L320-A334 PolarHBondContact O-N 3.36Å; A334-I339 HydrophobicContact CB-CD1 4.46Å; A334-I339 HydrophobicContact CB-CG1 3.91Å; A334-I359 HydrophobicContact CB-CG2 4.28Å; A334-T361 HydrophobicContact CB-CG2 3.48Å; A334-T361 VanDerWaalsContact CB-CG2 3.48Å
335K92.1Very high83.3Confident58 Ų5857.8 Ų57.825%0.25231%0.306SS..EExtended strand (participates in β ladder)trans-81.9145.2158.5-52.1-175.6177.6-178.70108.4R319 E332 R337 D338 I339R319-K335 HydrophobicContact CB-CB 4.32Å; R319-K335 HydrophobicContact CB-CG 4.06Å; E332-K335 WeakPolarHBondContact OE1-CE 3.44Å; K335-R337 HydrophobicContact CB-CG 3.96Å; K335-R337 PolarHBondContact O-N 3.13Å; K335-R337 VanDerWaalsContact O-N 3.12Å; K335-D338 HydrophobicContact CB-CB 4.49Å; K335-D338 WeakPolarHBondContact CB-OD2 3.33Å; K335-D338 PolarHBondContact O-N 2.84Å; K335-I339 PolarHBondContact O-N 2.67Å
336F93Very high83.6Confident1 Ų156.7 Ų56.70%0.00431%0.308CS..G310 helixtrans-58.2-31.4-177.4-67.3-62.7000113.1M315 K318 L320 D338 I339 M386 R390 M402M315-F336 HydrophobicContact CG-CE2 4.41Å; M315-F336 HydrophobicContact CG-CZ 3.85Å; M315-F336 HydrophobicContact SD-CZ 4.01Å; K318-F336 VanDerWaalsContact O-CD2 3.22Å; K318-F336 WeakPolarHBondContact O-CD2 3.25Å; K318-F336 PolarHBondContact O-N 2.84Å; K318-F336 VanDerWaalsContact O-N 3.09Å; L320-F336 HydrophobicContact CD1-CE1 4.31Å; L320-F336 HydrophobicContact CD2-CE1 4.31Å; L320-F336 HydrophobicContact CD2-CZ 4.14Å; L320-F336 HydrophobicContact CG-CE1 4.08Å; L320-F336 HydrophobicContact CG-CZ 4.2Å; F336-D338 VanDerWaalsContact C-N 3.29Å; F336-D338 PolarHBondContact O-N 3.49Å; F336-I339 HydrophobicContact CD1-CD1 3.86Å; F336-M386 HydrophobicContact CD1-CB 3.66Å; F336-M386 HydrophobicContact CD2-CB 4.23Å; F336-M386 HydrophobicContact CD2-CE 4.02Å; F336-M386 HydrophobicContact CE1-CB 3.38Å; F336-M386 HydrophobicContact CE1-CG 4.1Å; F336-M386 HydrophobicContact CE2-CB 3.99Å; F336-M386 HydrophobicContact CE2-CE 3.44Å; F336-M386 VanDerWaalsContact CE2-CE 3.44Å; F336-M386 HydrophobicContact CE2-CG 4.28Å; F336-M386 HydrophobicContact CG-CB 4.08Å; F336-M386 HydrophobicContact CZ-CB 3.56Å; F336-M386 HydrophobicContact CZ-CE 3.92Å; F336-M386 HydrophobicContact CZ-CG 3.83Å; F336-R390 HydrophobicContact CB-CB 4.06Å; F336-R390 HydrophobicContact CB-CG 4.29Å; F336-M402 HydrophobicContact CD2-CE 4.04Å
337R90.3Very high84.1Confident146 Ų14654.8 Ų54.855%0.55128%0.284SS*.G310 helixtrans-68.4-23.6175.258.5162.8-175.4-149.14.3114.7K335 R390K335-R337 HydrophobicContact CB-CG 3.96Å; K335-R337 PolarHBondContact O-N 3.13Å; K335-R337 VanDerWaalsContact O-N 3.12Å; R337-R390 HydrophobicContact CB-CG 4.04Å
338D91.3Very high85Confident46 Ų4652.7 Ų52.725%0.24628%0.284CS..G310 helixtrans-99.5-0.2-172.8-57.4-33.2000111.6K335 F336 T361 F362K335-D338 HydrophobicContact CB-CB 4.49Å; K335-D338 WeakPolarHBondContact CB-OD2 3.33Å; K335-D338 PolarHBondContact O-N 2.84Å; F336-D338 VanDerWaalsContact C-N 3.29Å; F336-D338 PolarHBondContact O-N 3.49Å; D338-T361 CarbonylContact O-C 3.53Å; D338-T361 WeakPolarHBondContact O-CA 3.3Å; D338-T361 WeakPolarHBondContact O-CB 3.34Å; D338-F362 WeakPolarHBondContact O-CD2 3.35Å; D338-F362 PolarHBondContact O-N 3.3Å
339I92.9Very high85.8Confident2 Ų254.6 Ų54.61%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-72.1128.2177.2-64.1177.3000109.4A334 K335 F336 V342 I359 I383 W387A334-I339 HydrophobicContact CB-CD1 4.46Å; A334-I339 HydrophobicContact CB-CG1 3.91Å; K335-I339 PolarHBondContact O-N 2.67Å; F336-I339 HydrophobicContact CD1-CD1 3.86Å; I339-V342 HydrophobicContact CG2-CG2 3.58Å; I339-I359 HydrophobicContact CG1-CG2 4.36Å; I339-I383 HydrophobicContact CD1-CG2 3.82Å; I339-W387 HydrophobicContact CB-CD2 4.23Å; I339-W387 HydrophobicContact CB-CG 4.18Å; I339-W387 HydrophobicContact CD1-CB 4.47Å; I339-W387 HydrophobicContact CG2-CD2 3.75Å; I339-W387 HydrophobicContact CG2-CE3 4.03Å; I339-W387 HydrophobicContact CG2-CG 4.14Å; I339-W387 HydrophobicContact CG2-CH2 4.42Å; I339-W387 HydrophobicContact CG2-CZ2 4.16Å; I339-W387 HydrophobicContact CG2-CZ3 4.36Å; I339-W387 WeakPolarHBondContact O-CZ2 3.24Å; I339-W387 PolarHBondContact O-NE1 2.87Å; I339-W387 VanDerWaalsContact O-NE1 3.17Å
340Q90.6Very high86.6Confident79 Ų7961 Ų6137%0.36931%0.31SS..EExtended strand (participates in β ladder)trans-98.5-40.7174.4-176.6-177.821.400111.3K360 F362 W387Q340-K360 PolarHBondContact N-O 3.34Å; Q340-F362 HydrophobicContact CB-CD2 4.26Å; Q340-F362 HydrophobicContact CB-CE1 4.28Å; Q340-F362 HydrophobicContact CB-CE2 4Å; Q340-F362 HydrophobicContact CB-CZ 4.01Å; Q340-F362 HydrophobicContact CG-CE1 3.98Å; Q340-F362 HydrophobicContact CG-CE2 4.42Å; Q340-F362 HydrophobicContact CG-CZ 3.92Å; Q340-W387 VanDerWaalsContact O-CH2 3.23Å; Q340-W387 WeakPolarHBondContact O-CH2 3.48Å; Q340-W387 WeakPolarHBondContact O-CZ2 3.29Å
341E90.7Very high86.8Confident72 Ų7267.7 Ų67.734%0.33635%0.347SS..EExtended strand (participates in β ladder)trans-153.3137.7-172.6-174.5176.5-86.200110.9K343 K360E341-K343 HydrophobicContact CG-CD 4.17Å; E341-K343 HydrophobicContact CG-CG 4.03Å; E341-K343 WeakPolarHBondContact OE1-CE 3.48Å; E341-K343 IonicContact OE1-NZ 2.9Å; E341-K343 PolarHBondContact OE1-NZ 3.34Å; E341-K343 VanDerWaalsContact OE2-CD 3.27Å; E341-K343 WeakPolarHBondContact OE2-CD 3.39Å; E341-K343 VanDerWaalsContact OE2-CE 3.23Å; E341-K343 WeakPolarHBondContact OE2-CE 3.47Å; E341-K343 IonicContact OE2-NZ 2.66Å; E341-K343 PolarHBondContact OE2-NZ 3.17Å; E341-K360 HydrophobicContact CB-CB 4.02Å; E341-K360 PolarHBondContact N-O 2.97Å; E341-K360 PolarHBondContact O-N 3.23Å
342V92.3Very high86.2Confident7 Ų770.4 Ų70.44%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-126.8120.3170.6-173.40000108.2I339 L357 R358 I383 K384 W387I339-V342 HydrophobicContact CG2-CG2 3.58Å; V342-L357 HydrophobicContact CG1-CD1 3.87Å; V342-R358 WeakPolarHBondContact CA-O 3.43Å; V342-I383 HydrophobicContact CG1-CG2 4.31Å; V342-I383 HydrophobicContact CG2-CG2 3.78Å; V342-K384 HydrophobicContact CB-CG 4.38Å; V342-W387 HydrophobicContact CG2-CE3 4.05Å; V342-W387 HydrophobicContact CG2-CZ3 4.28Å
343K91.2Very high85.7Confident110 Ų11077.7 Ų77.748%0.47839%0.391SS..EExtended strand (participates in β ladder)trans-133.9151.5178.2-76.4179.8-174.3148.70111.2E341 R358E341-K343 HydrophobicContact CG-CD 4.17Å; E341-K343 HydrophobicContact CG-CG 4.03Å; E341-K343 WeakPolarHBondContact OE1-CE 3.48Å; E341-K343 IonicContact OE1-NZ 2.9Å; E341-K343 PolarHBondContact OE1-NZ 3.34Å; E341-K343 VanDerWaalsContact OE2-CD 3.27Å; E341-K343 WeakPolarHBondContact OE2-CD 3.39Å; E341-K343 VanDerWaalsContact OE2-CE 3.23Å; E341-K343 WeakPolarHBondContact OE2-CE 3.47Å; E341-K343 IonicContact OE2-NZ 2.66Å; E341-K343 PolarHBondContact OE2-NZ 3.17Å; K343-R358 PolarHBondContact N-O 3.15Å; K343-R358 PolarHBondContact O-N 2.8Å
344M90.5Very high85.1Confident98 Ų9879.8 Ų79.848%0.48340%0.401SS..EExtended strand (participates in β ladder)trans-92.5134.5162.5-63.4-176-68.200108.6S356 T376 N380M344-S356 WeakPolarHBondContact CA-O 3.2Å; M344-T376 HydrophobicContact CG-CG2 4.49Å; M344-N380 HydrophobicContact CG-CB 3.76Å; M344-N380 HydrophobicContact SD-CB 3.81Å
345A85.5Confident84.8Confident17 Ų1784 Ų8414%0.1442%0.422CS..EExtended strand (participates in β ladder)trans-121.3154.8171.500000110.1L355 S356 R358A345-L355 WeakPolarHBondContact O-CA 3.48Å; A345-S356 PolarHBondContact N-O 3.38Å; A345-S356 PolarHBondContact O-N 3.32Å; A345-R358 HydrophobicContact CB-CG 4.45Å; A345-R358 VanDerWaalsContact CB-NE 3.32Å
346S83.9Confident84.6Confident63 Ų6381.4 Ų81.444%0.44141%0.412SS..EExtended strand (participates in β ladder)trans-123.2120.7170.967.20000109.2I354S346-I354 WeakPolarHBondContact CA-O 3.31Å
347A76Confident84.7Confident42 Ų4281.4 Ų81.435%0.34741%0.412SS..EExtended strand (participates in β ladder)trans-105.4133.5174.100000110I354A347-I354 PolarHBondContact N-O 3.01Å; A347-I354 PolarHBondContact O-N 3.34Å
348P74.8Confident84.8Confident112 Ų11278.5 Ų78.573%0.72740%0.401SS*.EExtended strand (participates in β ladder)trans-69.8130.8170.828.8-31.3000109.8
349F72.9Confident84.9Confident132 Ų13276.4 Ų76.458%0.57939%0.39SS*.EExtended strand (participates in β ladder)trans-135.5105.7172.8-172.9-94.1000109.3L351 V352 I354F349-L351 PolarHBondContact O-N 2.77Å; F349-V352 CarbonylContact C-O 3.51Å; F349-V352 PolarHBondContact N-O 2.94Å; F349-V352 PolarHBondContact O-N 3.17Å; F349-V352 VanDerWaalsContact O-N 3.07Å; F349-I354 HydrophobicContact CB-CD1 3.58Å; F349-I354 HydrophobicContact CB-CG1 4.08Å; F349-I354 HydrophobicContact CD1-CD1 4.24Å; F349-I354 HydrophobicContact CG-CD1 3.91Å
350L81Confident84.9Confident160 Ų16080.2 Ų80.284%0.83841%0.406SS*.THydrogen-bonded Turntrans51.2-129.2-167.5-56.6172.4000110V352L350-V352 VanDerWaalsContact C-N 3.3Å; L350-V352 PolarHBondContact O-N 3.42Å
351L76.8Confident84.9Confident182 Ų18276.9 Ų76.995%0.95339%0.392SS*.THydrogen-bonded Turntrans-82.11.2179.9-62.6175.3000114.3F349F349-L351 PolarHBondContact O-N 2.77Å
352V73.2Confident84.5Confident97 Ų9780.6 Ų80.659%0.58841%0.407SS*.EExtended strand (participates in β ladder)trans-118.8141.9-172.5-172.80000110.8F349 L350F349-V352 CarbonylContact C-O 3.51Å; F349-V352 PolarHBondContact N-O 2.94Å; F349-V352 PolarHBondContact O-N 3.17Å; F349-V352 VanDerWaalsContact O-N 3.07Å; L350-V352 VanDerWaalsContact C-N 3.3Å; L350-V352 PolarHBondContact O-N 3.42Å
353R78.7Confident83.7Confident195 Ų19584.3 Ų84.374%0.73643%0.433SS*.EExtended strand (participates in β ladder)trans-90.8124.9168.9-72.8-172.6-178.9-168.71.7110
354I78.3Confident82.9Confident53 Ų5383.4 Ų83.427%0.27243%0.427SS..EExtended strand (participates in β ladder)trans-96.3117.9175.2-62.1177.5000108.3S346 A347 F349 N371S346-I354 WeakPolarHBondContact CA-O 3.31Å; A347-I354 PolarHBondContact N-O 3.01Å; A347-I354 PolarHBondContact O-N 3.34Å; F349-I354 HydrophobicContact CB-CD1 3.58Å; F349-I354 HydrophobicContact CB-CG1 4.08Å; F349-I354 HydrophobicContact CD1-CD1 4.24Å; F349-I354 HydrophobicContact CG-CD1 3.91Å; I354-N371 HydrophobicContact CG2-CB 4.26Å; I354-N371 VanDerWaalsContact CG2-CG 3.45Å; I354-N371 WeakPolarHBondContact CG2-ND2 3.35Å
355L84.8Confident81.9Confident91 Ų9184.9 Ų84.948%0.47644%0.444SS..EExtended strand (participates in β ladder)trans-79.4128.7170.2-75.5163000109.6A345 N371 T376A345-L355 WeakPolarHBondContact O-CA 3.48Å; L355-N371 PolarHBondContact O-OD1 3.12Å; L355-T376 HydrophobicContact CB-CG2 4.22Å
356S88.9Confident81.6Confident5 Ų590 Ų904%0.03547%0.465CS..EExtended strand (participates in β ladder)trans-127.9143.7177.162.30000111.4M344 A345 E369 A370M344-S356 WeakPolarHBondContact CA-O 3.2Å; A345-S356 PolarHBondContact N-O 3.38Å; A345-S356 PolarHBondContact O-N 3.32Å; S356-E369 WeakPolarHBondContact CB-OE1 3.49Å; S356-E369 PolarHBondContact OG-OE1 3.3Å; S356-A370 CarbonylContact C-O 3.5Å; S356-A370 WeakPolarHBondContact CA-O 3.34Å
357L93.6Very high81.7Confident1 Ų190.4 Ų90.41%0.00546%0.461CS..EExtended strand (participates in β ladder)trans-89.7130.5170.8177.874.2000108.7V342 I359 E369 A370 L372 T376 W379 N380 I383V342-L357 HydrophobicContact CG1-CD1 3.87Å; L357-I359 HydrophobicContact CD2-CD1 4.23Å; L357-I359 HydrophobicContact CD2-CG1 4.41Å; L357-I359 HydrophobicContact CG-CG1 4.36Å; L357-E369 CarbonylContact O-C 3.57Å; L357-E369 WeakPolarHBondContact O-CA 3.38Å; L357-A370 PolarHBondContact N-O 2.99Å; L357-A370 PolarHBondContact O-N 3.04Å; L357-L372 HydrophobicContact CB-CD1 3.91Å; L357-L372 HydrophobicContact CD2-CD1 3.73Å; L357-L372 HydrophobicContact CG-CD1 4.49Å; L357-T376 HydrophobicContact CB-CG2 4.29Å; L357-W379 HydrophobicContact CD2-CB 4.22Å; L357-N380 HydrophobicContact CD1-CB 3.94Å; L357-I383 HydrophobicContact CD2-CD1 3.49Å; L357-I383 VanDerWaalsContact CD2-CD1 3.49Å
358R93.6Very high82.5Confident84 Ų8488.9 Ų88.932%0.31745%0.447SS..EExtended strand (participates in β ladder)trans-119.6127.5178.7-71.6171.8177.3-172.82110.7V342 K343 A345 L367 F368 E369V342-R358 WeakPolarHBondContact CA-O 3.43Å; K343-R358 PolarHBondContact N-O 3.15Å; K343-R358 PolarHBondContact O-N 2.8Å; A345-R358 HydrophobicContact CB-CG 4.45Å; A345-R358 VanDerWaalsContact CB-NE 3.32Å; R358-L367 HydrophobicContact CB-CD1 4.27Å; R358-L367 HydrophobicContact CB-CD2 4.03Å; R358-L367 HydrophobicContact CB-CG 4.28Å; R358-L367 HydrophobicContact CG-CD2 3.84Å; R358-L367 HydrophobicContact CG-CG 4.44Å; R358-F368 VanDerWaalsContact CA-O 3.31Å; R358-F368 WeakPolarHBondContact CA-O 3.39Å; R358-E369 HydrophobicContact CG-CB 4.38Å; R358-E369 HydrophobicContact CG-CG 4.1Å; R358-E369 IonicContact CZ-OE1 3.28Å; R358-E369 IonicContact NE-OE1 3.34Å; R358-E369 PolarHBondContact NE-OE1 3Å; R358-E369 IonicContact NH2-OE1 3.68Å; R358-E369 PolarHBondContact NH2-OE1 3.32Å; R358-E369 IonicContact NH2-OE2 2.69Å
359I93.9Very high83.3Confident3 Ų386.5 Ų86.52%0.01543%0.426CS..EExtended strand (participates in β ladder)trans-122.3124179.4-52.7174.2000108.8L320 I333 A334 I339 L357 F368 I383L320-I359 HydrophobicContact CD1-CD1 3.82Å; I333-I359 HydrophobicContact CG2-CD1 4.1Å; A334-I359 HydrophobicContact CB-CG2 4.28Å; I339-I359 HydrophobicContact CG1-CG2 4.36Å; L357-I359 HydrophobicContact CD2-CD1 4.23Å; L357-I359 HydrophobicContact CD2-CG1 4.41Å; L357-I359 HydrophobicContact CG-CG1 4.36Å; I359-F368 HydrophobicContact CB-CB 4.36Å; I359-F368 HydrophobicContact CB-CD1 4.41Å; I359-F368 HydrophobicContact CD1-CD1 3.98Å; I359-F368 HydrophobicContact CD1-CE1 4.42Å; I359-F368 HydrophobicContact CG1-CD1 4.28Å; I359-F368 PolarHBondContact N-O 3.2Å; I359-F368 PolarHBondContact O-N 3.28Å; I359-F368 VanDerWaalsContact O-N 3.09Å; I359-I383 HydrophobicContact CD1-CD1 3.87Å
360K92Very high84.2Confident81 Ų8180.2 Ų80.235%0.35240%0.399SS..EExtended strand (participates in β ladder)trans-109.6138.6173.5-165.8179.6178.3-173.90109.9Q340 E341 L367Q340-K360 PolarHBondContact N-O 3.34Å; E341-K360 HydrophobicContact CB-CB 4.02Å; E341-K360 PolarHBondContact N-O 2.97Å; E341-K360 PolarHBondContact O-N 3.23Å; K360-L367 HydrophobicContact CB-CD1 3.91Å; K360-L367 HydrophobicContact CG-CD1 4.45Å
361T89.9Confident84.7Confident10 Ų1074.5 Ų74.56%0.06137%0.369CS..EExtended strand (participates in β ladder)trans-122.2158.4179.766.50000111.1A334 D338 S363 R364A334-T361 HydrophobicContact CB-CG2 3.48Å; A334-T361 VanDerWaalsContact CB-CG2 3.48Å; D338-T361 CarbonylContact O-C 3.53Å; D338-T361 WeakPolarHBondContact O-CA 3.3Å; D338-T361 WeakPolarHBondContact O-CB 3.34Å; T361-S363 VanDerWaalsContact C-N 3.31Å; T361-S363 PolarHBondContact OG1-OG 2.89Å; T361-R364 PolarHBondContact OG1-N 3.06Å
362F82.8Confident85.2Confident149 Ų14965.9 Ų65.965%0.65432%0.324SS*.SBendtrans-68.4-31.5174.2-70.1-76.4000112.9D338 Q340D338-F362 WeakPolarHBondContact O-CD2 3.35Å; D338-F362 PolarHBondContact O-N 3.3Å; Q340-F362 HydrophobicContact CB-CD2 4.26Å; Q340-F362 HydrophobicContact CB-CE1 4.28Å; Q340-F362 HydrophobicContact CB-CE2 4Å; Q340-F362 HydrophobicContact CB-CZ 4.01Å; Q340-F362 HydrophobicContact CG-CE1 3.98Å; Q340-F362 HydrophobicContact CG-CE2 4.42Å; Q340-F362 HydrophobicContact CG-CZ 3.92Å
363S75.1Confident85.8Confident86 Ų8668.6 Ų68.660%0.60133%0.328SS*.SBendtrans-82.4-20.6-173.750.50000114.6T361T361-S363 VanDerWaalsContact C-N 3.31Å; T361-S363 PolarHBondContact OG1-OG 2.89Å
364R75.3Confident86.1Confident90 Ų9065 Ų6534%0.3433%0.328SS..  trans-130.3129.1-175.1-64.4-173.2-176.8160.18111.3E332 T361 E366E332-R364 PolarHBondContact O-NH1 3.46Å; E332-R364 PolarHBondContact O-NH2 2.91Å; T361-R364 PolarHBondContact OG1-N 3.06Å; R364-E366 VanDerWaalsContact C-N 3.31Å
365P69.6Low86.6Confident129 Ų12964.4 Ų64.484%0.83832%0.324SS*.SBendtrans-73.1-25.9175.629.4-33.2000112.3
366E78.3Confident86.9Confident125 Ų12560.2 Ų60.258%0.58430%0.302SS*.SBendtrans-72.6132.3178.6-66-178.3178.900111.8Y308 R364Y308-E366 WeakPolarHBondContact OH-CB 3.16Å; Y308-E366 PolarHBondContact OH-OE2 2.97Å; R364-E366 VanDerWaalsContact C-N 3.31Å
367L86.7Confident87Confident71 Ų7161 Ų6137%0.37231%0.311SS..PPolyproline II helixtrans-82.2125.2178.7-171.274000110.2R358 K360R358-L367 HydrophobicContact CB-CD1 4.27Å; R358-L367 HydrophobicContact CB-CD2 4.03Å; R358-L367 HydrophobicContact CB-CG 4.28Å; R358-L367 HydrophobicContact CG-CD2 3.84Å; R358-L367 HydrophobicContact CG-CG 4.44Å; K360-L367 HydrophobicContact CB-CD1 3.91Å; K360-L367 HydrophobicContact CG-CD1 4.45Å
368F91.6Very high87Confident10 Ų1061 Ų614%0.04431%0.311CS..EExtended strand (participates in β ladder)trans-77.7125.3169.7178.2-95.9000109.6T306 Y308 I313 I333 R358 I359 A370T306-F368 HydrophobicContact CG2-CE2 4.3Å; T306-F368 HydrophobicContact CG2-CZ 3.93Å; Y308-F368 AromaticContact CD2-CD2 3.66Å; Y308-F368 HydrophobicContact CD2-CD2 3.66Å; Y308-F368 HydrophobicContact CD2-CE2 4.09Å; Y308-F368 AromaticContact CE2-CD2 3.86Å; Y308-F368 HydrophobicContact CE2-CD2 3.86Å; I313-F368 HydrophobicContact CD1-CE1 4.15Å; I313-F368 HydrophobicContact CD1-CZ 4.2Å; I313-F368 HydrophobicContact CG1-CZ 4.49Å; I333-F368 HydrophobicContact CD1-CE1 3.94Å; I333-F368 HydrophobicContact CD1-CE2 3.9Å; I333-F368 HydrophobicContact CD1-CZ 3.53Å; I333-F368 HydrophobicContact CG1-CD2 4.1Å; I333-F368 HydrophobicContact CG1-CE1 4.41Å; I333-F368 HydrophobicContact CG1-CE2 3.77Å; I333-F368 HydrophobicContact CG1-CZ 3.94Å; I333-F368 HydrophobicContact CG2-CB 4.04Å; I333-F368 HydrophobicContact CG2-CD1 3.64Å; I333-F368 HydrophobicContact CG2-CD2 3.9Å; I333-F368 HydrophobicContact CG2-CE1 4.01Å; I333-F368 HydrophobicContact CG2-CE2 4.27Å; I333-F368 HydrophobicContact CG2-CG 3.57Å; I333-F368 HydrophobicContact CG2-CZ 4.32Å; R358-F368 VanDerWaalsContact CA-O 3.31Å; R358-F368 WeakPolarHBondContact CA-O 3.39Å; I359-F368 HydrophobicContact CB-CB 4.36Å; I359-F368 HydrophobicContact CB-CD1 4.41Å; I359-F368 HydrophobicContact CD1-CD1 3.98Å; I359-F368 HydrophobicContact CD1-CE1 4.42Å; I359-F368 HydrophobicContact CG1-CD1 4.28Å; I359-F368 PolarHBondContact N-O 3.2Å; I359-F368 PolarHBondContact O-N 3.28Å; I359-F368 VanDerWaalsContact O-N 3.09Å; F368-A370 HydrophobicContact CE1-CB 3.72Å; F368-A370 HydrophobicContact CZ-CB 4.04Å
369E92.3Very high87.1Confident62 Ų6257 Ų5729%0.2930%0.296SS..EExtended strand (participates in β ladder)trans-124.7130.4177.7-173.8166.1-147.600110.6T306 S307 S356 L357 R358T306-E369 CarbonylContact C-O 3.54Å; T306-E369 WeakPolarHBondContact CA-O 3.37Å; T306-E369 WeakPolarHBondContact CB-O 3.35Å; S307-E369 PolarHBondContact N-O 3Å; S307-E369 PolarHBondContact OG-N 2.79Å; S356-E369 WeakPolarHBondContact CB-OE1 3.49Å; S356-E369 PolarHBondContact OG-OE1 3.3Å; L357-E369 CarbonylContact O-C 3.57Å; L357-E369 WeakPolarHBondContact O-CA 3.38Å; R358-E369 HydrophobicContact CG-CB 4.38Å; R358-E369 HydrophobicContact CG-CG 4.1Å; R358-E369 IonicContact CZ-OE1 3.28Å; R358-E369 IonicContact NE-OE1 3.34Å; R358-E369 PolarHBondContact NE-OE1 3Å; R358-E369 IonicContact NH2-OE1 3.68Å; R358-E369 PolarHBondContact NH2-OE1 3.32Å; R358-E369 IonicContact NH2-OE2 2.69Å
370A92.4Very high87.1Confident0 Ų057.3 Ų57.30%030%0.298CS..EExtended strand (participates in β ladder)trans-132.3130.7178.600000112.1T306 I313 S356 L357 F368 L372T306-A370 HydrophobicContact CG2-CB 3.97Å; I313-A370 HydrophobicContact CD1-CB 3.81Å; S356-A370 CarbonylContact C-O 3.5Å; S356-A370 WeakPolarHBondContact CA-O 3.34Å; L357-A370 PolarHBondContact N-O 2.99Å; L357-A370 PolarHBondContact O-N 3.04Å; F368-A370 HydrophobicContact CE1-CB 3.72Å; F368-A370 HydrophobicContact CZ-CB 4.04Å; A370-L372 HydrophobicContact CB-CD1 4.25Å; A370-L372 HydrophobicContact CB-CG 4.38Å; A370-L372 PolarHBondContact O-N 3.08Å
371N90.6Very high87.2Confident41 Ų4154.8 Ų54.822%0.21929%0.288CS..EExtended strand (participates in β ladder)trans-92.795.9173.2179-0.6000110V304 K305 I354 L355 K373V304-N371 WeakPolarHBondContact CG1-O 3.38Å; K305-N371 PolarHBondContact O-N 2.96Å; I354-N371 HydrophobicContact CG2-CB 4.26Å; I354-N371 VanDerWaalsContact CG2-CG 3.45Å; I354-N371 WeakPolarHBondContact CG2-ND2 3.35Å; L355-N371 PolarHBondContact O-OD1 3.12Å; N371-K373 PolarHBondContact OD1-N 3.28Å
372L86.8Confident87.5Confident1 Ų154.3 Ų54.31%0.00529%0.285CS..  trans-94.57.4-177.5-72.9149.3000112.9V304 I313 L357 A370 T374 E375 T376 W379V304-L372 HydrophobicContact CB-CD2 4.45Å; V304-L372 HydrophobicContact CG1-CB 4.46Å; V304-L372 HydrophobicContact CG1-CD2 3.53Å; V304-L372 HydrophobicContact CG1-CG 4.01Å; V304-L372 HydrophobicContact CG2-CD2 4.39Å; I313-L372 HydrophobicContact CD1-CD1 4.18Å; I313-L372 HydrophobicContact CD1-CD2 4.11Å; I313-L372 HydrophobicContact CD1-CG 4.44Å; L357-L372 HydrophobicContact CB-CD1 3.91Å; L357-L372 HydrophobicContact CD2-CD1 3.73Å; L357-L372 HydrophobicContact CG-CD1 4.49Å; A370-L372 HydrophobicContact CB-CD1 4.25Å; A370-L372 HydrophobicContact CB-CG 4.38Å; A370-L372 PolarHBondContact O-N 3.08Å; L372-T374 PolarHBondContact O-N 3.01Å; L372-E375 HydrophobicContact CB-CB 4.35Å; L372-E375 PolarHBondContact O-N 3.12Å; L372-T376 WeakPolarHBondContact CB-OG1 3.14Å; L372-W379 HydrophobicContact CD1-CB 3.78Å; L372-W379 HydrophobicContact CD1-CG 3.84Å; L372-W379 HydrophobicContact CD2-CG 4.17Å
373K87Confident88.2Confident154 Ų15447.2 Ų47.267%0.6725%0.254SS*.G310 helixtrans50.2-121-179.9-56.1177.7-177.6175.70111.1N371 E375 T376N371-K373 PolarHBondContact OD1-N 3.28Å; K373-E375 VanDerWaalsContact C-N 3.28Å; K373-E375 PolarHBondContact O-N 3.15Å; K373-T376 PolarHBondContact N-OG1 2.97Å; K373-T376 WeakPolarHBondContact O-CB 3.38Å; K373-T376 PolarHBondContact O-N 3.44Å; K373-T376 PolarHBondContact O-OG1 2.97Å
374T84.9Confident89.1Confident120 Ų12045.7 Ų45.774%0.73624%0.236SC*.G310 helixtrans-67.1-22.7-179.950.50000113.6L372 T376L372-T374 PolarHBondContact O-N 3.01Å; T374-T376 VanDerWaalsContact C-N 3.34Å
375E88.3Confident90.1Very high40 Ų4041.4 Ų41.419%0.18722%0.22CC..G310 helixtrans-85.5-6.2179.6-58.6173.4-14400112.8S302 L372 K373 G377 L378 W379S302-E375 WeakPolarHBondContact CB-OE1 3.38Å; S302-E375 PolarHBondContact OG-OE1 2.74Å; L372-E375 HydrophobicContact CB-CB 4.35Å; L372-E375 PolarHBondContact O-N 3.12Å; K373-E375 VanDerWaalsContact C-N 3.28Å; K373-E375 PolarHBondContact O-N 3.15Å; E375-G377 VanDerWaalsContact C-N 3.31Å; E375-G377 PolarHBondContact O-N 2.77Å; E375-L378 PolarHBondContact O-N 2.88Å; E375-L378 VanDerWaalsContact O-N 3.11Å; E375-W379 PolarHBondContact O-N 3.25Å; E375-W379 PolarHBondContact OE2-NE1 3.43Å; E375-W379 VanDerWaalsContact OE2-NE1 3.1Å
376T90.7Very high91.3Very high2 Ų235.3 Ų35.31%0.01218%0.18CC..Hα-helixtrans-57.1-42.6-174.1-52.80000112.5M344 L355 L357 L372 K373 T374 N380M344-T376 HydrophobicContact CG-CG2 4.49Å; L355-T376 HydrophobicContact CB-CG2 4.22Å; L357-T376 HydrophobicContact CB-CG2 4.29Å; L372-T376 WeakPolarHBondContact CB-OG1 3.14Å; K373-T376 PolarHBondContact N-OG1 2.97Å; K373-T376 WeakPolarHBondContact O-CB 3.38Å; K373-T376 PolarHBondContact O-N 3.44Å; K373-T376 PolarHBondContact O-OG1 2.97Å; T374-T376 VanDerWaalsContact C-N 3.34Å; T376-N380 WeakPolarHBondContact O-CB 3.38Å; T376-N380 PolarHBondContact O-N 2.85Å; T376-N380 VanDerWaalsContact O-N 3.09Å
377G91.4Very high92.1Very high22 Ų2232.4 Ų32.423%0.22716%0.164CC..Hα-helixtrans-63.9-44.2177.100000112.5E375 N380 L381 I425E375-G377 VanDerWaalsContact C-N 3.31Å; E375-G377 PolarHBondContact O-N 2.77Å; G377-N380 PolarHBondContact O-N 2.86Å; G377-L381 PolarHBondContact O-N 3.07Å; G377-L381 VanDerWaalsContact O-N 3.14Å; G377-I425 VanDerWaalsContact C-CD1 3.44Å
378L93.8Very high92.3Very high2 Ų229.2 Ų29.21%0.0115%0.148CC..Hα-helixtrans-63.6-50179176.365.7000111E375 N380 L381 I382 M412 D413 F416E375-L378 PolarHBondContact O-N 2.88Å; E375-L378 VanDerWaalsContact O-N 3.11Å; L378-N380 VanDerWaalsContact C-N 3.26Å; L378-N380 PolarHBondContact O-N 3.03Å; L378-L381 WeakPolarHBondContact O-CB 3.33Å; L378-L381 PolarHBondContact O-N 3.45Å; L378-I382 HydrophobicContact CD1-CD1 3.98Å; L378-I382 HydrophobicContact CD1-CG1 4.11Å; L378-I382 HydrophobicContact CD2-CD1 4.22Å; L378-I382 HydrophobicContact CG-CD1 3.74Å; L378-I382 HydrophobicContact CG-CG1 4.23Å; L378-I382 WeakPolarHBondContact O-CG1 3.33Å; L378-I382 PolarHBondContact O-N 2.89Å; L378-M412 HydrophobicContact CD1-CB 4.16Å; L378-D413 WeakPolarHBondContact CD2-OD1 3.29Å; L378-F416 HydrophobicContact CB-CD2 4.12Å; L378-F416 HydrophobicContact CB-CE2 4.2Å; L378-F416 HydrophobicContact CB-CG 4.27Å; L378-F416 HydrophobicContact CB-CZ 4.44Å; L378-F416 HydrophobicContact CD1-CB 3.95Å; L378-F416 HydrophobicContact CD1-CD2 4.37Å; L378-F416 HydrophobicContact CD1-CG 4.19Å; L378-F416 HydrophobicContact CD2-CB 3.92Å; L378-F416 HydrophobicContact CD2-CD1 3.67Å; L378-F416 HydrophobicContact CD2-CD2 4.43Å; L378-F416 HydrophobicContact CD2-CE1 4.28Å; L378-F416 HydrophobicContact CD2-CG 3.75Å; L378-F416 HydrophobicContact CG-CB 4.46Å; L378-F416 HydrophobicContact CG-CG 4.28Å
379W94.9Very high92.3Very high0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-61.5-34.4179-82.796.4000112.8K299 I313 M315 L320 L357 L372 E375 I382 I383K299-W379 HydrophobicContact CD-CH2 4.18Å; K299-W379 HydrophobicContact CD-CZ2 4.11Å; K299-W379 HydrophobicContact CG-CH2 4.03Å; K299-W379 HydrophobicContact CG-CZ2 4.06Å; I313-W379 HydrophobicContact CB-CH2 4.47Å; I313-W379 HydrophobicContact CG2-CH2 4.16Å; I313-W379 HydrophobicContact CG2-CZ3 3.98Å; M315-W379 HydrophobicContact CB-CH2 4.4Å; M315-W379 HydrophobicContact CB-CZ3 4.26Å; L320-W379 HydrophobicContact CD2-CZ3 4.29Å; L357-W379 HydrophobicContact CD2-CB 4.22Å; L372-W379 HydrophobicContact CD1-CB 3.78Å; L372-W379 HydrophobicContact CD1-CG 3.84Å; L372-W379 HydrophobicContact CD2-CG 4.17Å; E375-W379 PolarHBondContact O-N 3.25Å; E375-W379 PolarHBondContact OE2-NE1 3.43Å; E375-W379 VanDerWaalsContact OE2-NE1 3.1Å; W379-I382 PolarHBondContact O-N 3.07Å; W379-I383 HydrophobicContact CE3-CD1 4.3Å; W379-I383 HydrophobicContact CE3-CG1 4.42Å; W379-I383 WeakPolarHBondContact O-CB 3.2Å; W379-I383 WeakPolarHBondContact O-CD1 3.29Å; W379-I383 WeakPolarHBondContact O-CG1 3.31Å; W379-I383 PolarHBondContact O-N 2.88Å
380N94.8Very high92.2Very high9 Ų928.5 Ų28.55%0.04814%0.142CC..Hα-helixtrans-62-45.1172.2175.377.1000111.9M344 L357 T376 G377 L378 K384M344-N380 HydrophobicContact CG-CB 3.76Å; M344-N380 HydrophobicContact SD-CB 3.81Å; L357-N380 HydrophobicContact CD1-CB 3.94Å; T376-N380 WeakPolarHBondContact O-CB 3.38Å; T376-N380 PolarHBondContact O-N 2.85Å; T376-N380 VanDerWaalsContact O-N 3.09Å; G377-N380 PolarHBondContact O-N 2.86Å; L378-N380 VanDerWaalsContact C-N 3.26Å; L378-N380 PolarHBondContact O-N 3.03Å; N380-K384 WeakPolarHBondContact O-CB 3.46Å; N380-K384 VanDerWaalsContact O-CG 3.3Å; N380-K384 WeakPolarHBondContact O-CG 3.49Å; N380-K384 PolarHBondContact O-N 3.33Å; N380-K384 VanDerWaalsContact O-N 3.1Å
381L94.9Very high92Very high27 Ų2733.5 Ų33.514%0.14116%0.164CC..Hα-helixtrans-62.6-46.5175-68.9179.7000111.9G377 L378 I383 K384 E385 M412 I425 A428 V432G377-L381 PolarHBondContact O-N 3.07Å; G377-L381 VanDerWaalsContact O-N 3.14Å; L378-L381 WeakPolarHBondContact O-CB 3.33Å; L378-L381 PolarHBondContact O-N 3.45Å; L381-I383 PolarHBondContact O-N 3.19Å; L381-K384 PolarHBondContact O-N 3.01Å; L381-E385 WeakPolarHBondContact O-CB 3.42Å; L381-E385 PolarHBondContact O-N 3.3Å; L381-M412 HydrophobicContact CB-SD 4.41Å; L381-I425 HydrophobicContact CD1-CD1 3.53Å; L381-I425 HydrophobicContact CD1-CG1 4.25Å; L381-I425 HydrophobicContact CG-CD1 4.27Å; L381-A428 HydrophobicContact CD1-CB 4.49Å; L381-V432 HydrophobicContact CD2-CG2 4.17Å
382I96.1Very high91.6Very high0 Ų032.2 Ų32.20%016%0.157CC..Hα-helixtrans-58.1-48.8-179.5-70.9-179.7000111.1K299 M315 L378 W379 E385 M386 V409K299-I382 HydrophobicContact CD-CD1 3.69Å; M315-I382 HydrophobicContact CE-CG2 3.95Å; M315-I382 HydrophobicContact SD-CG2 3.44Å; M315-I382 WeakPolarHBondContact SD-CG2 3.44Å; L378-I382 HydrophobicContact CD1-CD1 3.98Å; L378-I382 HydrophobicContact CD1-CG1 4.11Å; L378-I382 HydrophobicContact CD2-CD1 4.22Å; L378-I382 HydrophobicContact CG-CD1 3.74Å; L378-I382 HydrophobicContact CG-CG1 4.23Å; L378-I382 WeakPolarHBondContact O-CG1 3.33Å; L378-I382 PolarHBondContact O-N 2.89Å; W379-I382 PolarHBondContact O-N 3.07Å; I382-E385 PolarHBondContact O-N 2.93Å; I382-M386 WeakPolarHBondContact O-CB 3.34Å; I382-M386 WeakPolarHBondContact O-CG 3.42Å; I382-M386 PolarHBondContact O-N 2.87Å; I382-V409 HydrophobicContact CB-CB 4.23Å; I382-V409 HydrophobicContact CB-CG1 4.2Å; I382-V409 HydrophobicContact CG1-CB 3.98Å; I382-V409 HydrophobicContact CG1-CG1 4.31Å; I382-V409 HydrophobicContact CG2-CB 3.91Å; I382-V409 HydrophobicContact CG2-CG1 4.06Å; I382-V409 HydrophobicContact CG2-CG2 4.26Å; I382-V409 WeakPolarHBondContact O-CG1 3.41Å
383I96.1Very high91.6Very high1 Ų132.5 Ų32.51%0.00516%0.16CC..Hα-helixtrans-70.4-38.2-176.1-63.4166.8000110.5L320 I339 V342 L357 I359 W379 L381 W387L320-I383 HydrophobicContact CD1-CD1 3.76Å; L320-I383 HydrophobicContact CD1-CG1 3.88Å; L320-I383 HydrophobicContact CD1-CG2 4.17Å; L320-I383 HydrophobicContact CD2-CG1 4.49Å; I339-I383 HydrophobicContact CD1-CG2 3.82Å; V342-I383 HydrophobicContact CG1-CG2 4.31Å; V342-I383 HydrophobicContact CG2-CG2 3.78Å; L357-I383 HydrophobicContact CD2-CD1 3.49Å; L357-I383 VanDerWaalsContact CD2-CD1 3.49Å; I359-I383 HydrophobicContact CD1-CD1 3.87Å; W379-I383 HydrophobicContact CE3-CD1 4.3Å; W379-I383 HydrophobicContact CE3-CG1 4.42Å; W379-I383 WeakPolarHBondContact O-CB 3.2Å; W379-I383 WeakPolarHBondContact O-CD1 3.29Å; W379-I383 WeakPolarHBondContact O-CG1 3.31Å; W379-I383 PolarHBondContact O-N 2.88Å; L381-I383 PolarHBondContact O-N 3.19Å; I383-W387 WeakPolarHBondContact O-CB 3Å; I383-W387 PolarHBondContact O-N 2.92Å
384K94.8Very high91.4Very high54 Ų5427.7 Ų27.724%0.23514%0.142CC..Hα-helixtrans-63.1-45.1175-77.3-174.8171.9-157.60112.2V342 N380 L381 W387 A388V342-K384 HydrophobicContact CB-CG 4.38Å; N380-K384 WeakPolarHBondContact O-CB 3.46Å; N380-K384 VanDerWaalsContact O-CG 3.3Å; N380-K384 WeakPolarHBondContact O-CG 3.49Å; N380-K384 PolarHBondContact O-N 3.33Å; N380-K384 VanDerWaalsContact O-N 3.1Å; L381-K384 PolarHBondContact O-N 3.01Å; K384-W387 PolarHBondContact O-N 3.26Å; K384-A388 WeakPolarHBondContact O-CB 3.27Å; K384-A388 PolarHBondContact O-N 3.35Å
385E95.8Very high91.2Very high0 Ų024.3 Ų24.30%012%0.117CC..Hα-helixtrans-64.8-43.5178.2-177.170.4174.100111.8L381 I382 A388 G389 N408 V409 M412 V432 Y433 F434 D435L381-E385 WeakPolarHBondContact O-CB 3.42Å; L381-E385 PolarHBondContact O-N 3.3Å; I382-E385 PolarHBondContact O-N 2.93Å; E385-A388 PolarHBondContact O-N 2.72Å; E385-G389 PolarHBondContact O-N 3.44Å; E385-N408 HydrophobicContact CG-CB 4.19Å; E385-N408 PolarHBondContact OE1-ND2 3.02Å; E385-V409 HydrophobicContact CB-CG1 3.71Å; E385-V409 HydrophobicContact CG-CG1 3.83Å; E385-M412 HydrophobicContact CB-CE 4.12Å; E385-M412 HydrophobicContact CG-CE 3.85Å; E385-V432 WeakPolarHBondContact OE2-CG1 3.48Å; E385-Y433 PolarHBondContact OE1-N 2.86Å; E385-Y433 VanDerWaalsContact OE1-N 3.09Å; E385-Y433 PolarHBondContact OE2-N 2.82Å; E385-F434 WeakPolarHBondContact OE1-CD2 3.43Å; E385-F434 PolarHBondContact OE1-N 3.43Å; E385-F434 VanDerWaalsContact OE1-N 3.08Å; E385-F434 PolarHBondContact OE2-N 3.48Å; E385-F434 VanDerWaalsContact OE2-N 3.08Å; E385-D435 PolarHBondContact OE2-N 2.86Å; E385-D435 VanDerWaalsContact OE2-N 3.12Å
386M95.4Very high90.8Very high0 Ų023.5 Ų23.50%011%0.114CC..Hα-helixtrans-64.8-39.9175.6-71.9-64.3-73.300112.4M315 F336 I382 R390 M402 A405 L406 V409M315-M386 HydrophobicContact SD-CG 4.07Å; F336-M386 HydrophobicContact CD1-CB 3.66Å; F336-M386 HydrophobicContact CD2-CB 4.23Å; F336-M386 HydrophobicContact CD2-CE 4.02Å; F336-M386 HydrophobicContact CE1-CB 3.38Å; F336-M386 HydrophobicContact CE1-CG 4.1Å; F336-M386 HydrophobicContact CE2-CB 3.99Å; F336-M386 HydrophobicContact CE2-CE 3.44Å; F336-M386 VanDerWaalsContact CE2-CE 3.44Å; F336-M386 HydrophobicContact CE2-CG 4.28Å; F336-M386 HydrophobicContact CG-CB 4.08Å; F336-M386 HydrophobicContact CZ-CB 3.56Å; F336-M386 HydrophobicContact CZ-CE 3.92Å; F336-M386 HydrophobicContact CZ-CG 3.83Å; I382-M386 WeakPolarHBondContact O-CB 3.34Å; I382-M386 WeakPolarHBondContact O-CG 3.42Å; I382-M386 PolarHBondContact O-N 2.87Å; M386-R390 WeakPolarHBondContact O-CB 3.14Å; M386-R390 PolarHBondContact O-N 2.87Å; M386-M402 HydrophobicContact CE-CE 3.61Å; M386-A405 HydrophobicContact SD-CB 4.06Å; M386-L406 HydrophobicContact CE-CB 4.31Å; M386-L406 HydrophobicContact CE-CD1 4.06Å; M386-L406 VanDerWaalsContact SD-CA 3.57Å; M386-L406 HydrophobicContact SD-CB 4.13Å; M386-L406 HydrophobicContact SD-CD1 4.27Å; M386-L406 PolarHBondContact SD-N 2.94Å; M386-V409 HydrophobicContact CG-CG1 3.99Å; M386-V409 HydrophobicContact CG-CG2 4.07Å; M386-V409 HydrophobicContact SD-CG1 4.41Å; M386-V409 HydrophobicContact SD-CG2 3.86Å
387W94Very high90.5Very high65 Ų6525.9 Ų25.925%0.24613%0.125CC..Hα-helixtrans-65.6-44.6176178.231.1000111.6I339 Q340 V342 I383 K384 R390 K391I339-W387 HydrophobicContact CB-CD2 4.23Å; I339-W387 HydrophobicContact CB-CG 4.18Å; I339-W387 HydrophobicContact CD1-CB 4.47Å; I339-W387 HydrophobicContact CG2-CD2 3.75Å; I339-W387 HydrophobicContact CG2-CE3 4.03Å; I339-W387 HydrophobicContact CG2-CG 4.14Å; I339-W387 HydrophobicContact CG2-CH2 4.42Å; I339-W387 HydrophobicContact CG2-CZ2 4.16Å; I339-W387 HydrophobicContact CG2-CZ3 4.36Å; I339-W387 WeakPolarHBondContact O-CZ2 3.24Å; I339-W387 PolarHBondContact O-NE1 2.87Å; I339-W387 VanDerWaalsContact O-NE1 3.17Å; Q340-W387 VanDerWaalsContact O-CH2 3.23Å; Q340-W387 WeakPolarHBondContact O-CH2 3.48Å; Q340-W387 WeakPolarHBondContact O-CZ2 3.29Å; V342-W387 HydrophobicContact CG2-CE3 4.05Å; V342-W387 HydrophobicContact CG2-CZ3 4.28Å; I383-W387 WeakPolarHBondContact O-CB 3Å; I383-W387 PolarHBondContact O-N 2.92Å; K384-W387 PolarHBondContact O-N 3.26Å; W387-R390 WeakPolarHBondContact O-CB 3.39Å; W387-R390 PolarHBondContact O-N 3.05Å; W387-K391 PolarHBondContact O-N 3.41Å
388A91.7Very high90.1Very high3 Ų325 Ų253%0.02512%0.115CC..Hα-helixtrans-61.5-47.4175.600000111.9K384 E385 R390 K391 M392 F434 D435 L438K384-A388 WeakPolarHBondContact O-CB 3.27Å; K384-A388 PolarHBondContact O-N 3.35Å; E385-A388 PolarHBondContact O-N 2.72Å; A388-R390 VanDerWaalsContact C-N 3.26Å; A388-R390 PolarHBondContact O-N 3.19Å; A388-K391 PolarHBondContact O-N 3.21Å; A388-M392 WeakPolarHBondContact O-CB 3.44Å; A388-M392 PolarHBondContact O-N 3.39Å; A388-F434 HydrophobicContact CB-CB 3.68Å; A388-D435 HydrophobicContact CB-CB 4.14Å; A388-L438 HydrophobicContact CB-CD1 3.56Å
389G91.4Very high89.4Confident0 Ų027.5 Ų27.50%013%0.131CC..Hα-helixtrans-59.1-36.9174.900000112.7E385 G393 C401E385-G389 PolarHBondContact O-N 3.44Å; G389-G393 PolarHBondContact O-N 2.92Å; G389-C401 WeakPolarHBondContact O-CB 3.4Å
390R90.6Very high88.9Confident57 Ų5729.6 Ų29.622%0.21514%0.141CC..Hα-helixtrans-66.6-48.7175-174.665.5-134.2175.8-0.8111.9F336 R337 M386 W387 A388 M392 G393 D394 M402F336-R390 HydrophobicContact CB-CB 4.06Å; F336-R390 HydrophobicContact CB-CG 4.29Å; R337-R390 HydrophobicContact CB-CG 4.04Å; M386-R390 WeakPolarHBondContact O-CB 3.14Å; M386-R390 PolarHBondContact O-N 2.87Å; W387-R390 WeakPolarHBondContact O-CB 3.39Å; W387-R390 PolarHBondContact O-N 3.05Å; A388-R390 VanDerWaalsContact C-N 3.26Å; A388-R390 PolarHBondContact O-N 3.19Å; R390-M392 VanDerWaalsContact C-N 3.31Å; R390-M392 PolarHBondContact O-N 3.46Å; R390-G393 PolarHBondContact O-N 3.35Å; R390-D394 IonicContact CZ-OD1 3.34Å; R390-D394 IonicContact CZ-OD2 3.88Å; R390-D394 IonicContact NE-OD1 2.75Å; R390-D394 IonicContact NE-OD2 2.75Å; R390-D394 PolarHBondContact NE-OD2 3.23Å; R390-D394 IonicContact NH2-OD1 3.94Å; R390-D394 PolarHBondContact NH2-OD1 3.39Å; R390-D394 IonicContact NH2-OD2 3.51Å; R390-D394 PolarHBondContact O-N 3.43Å; R390-M402 WeakPolarHBondContact CA-SD 3.47Å; R390-M402 HydrophobicContact CB-CE 4.42Å; R390-M402 HydrophobicContact CB-SD 3.47Å; R390-M402 WeakPolarHBondContact CB-SD 3.49Å; R390-M402 HydrophobicContact CG-SD 4.2Å; R390-M402 PolarHBondContact N-SD 3.18Å
391K87.2Confident88.5Confident106 Ų10629.5 Ų29.546%0.46114%0.141SC..Hα-helixtrans-59.4-45179.8-171.6179176.9-170.70110.9W387 A388 D394 Q395 L438W387-K391 PolarHBondContact O-N 3.41Å; A388-K391 PolarHBondContact O-N 3.21Å; K391-D394 PolarHBondContact O-N 3.14Å; K391-Q395 VanDerWaalsContact O-CG 3.3Å; K391-Q395 WeakPolarHBondContact O-CG 3.47Å; K391-Q395 PolarHBondContact O-N 2.78Å; K391-L438 HydrophobicContact CB-CD1 4.29Å; K391-L438 HydrophobicContact CD-CD1 4.13Å
392M83.9Confident88.2Confident14 Ų1428.5 Ų28.57%0.06914%0.135CC..Hα-helixtrans-64.8-46.1176.6-168.4174.4-67.400111.7A388 R390 D394 Q395 D396 F434 V437 L438A388-M392 WeakPolarHBondContact O-CB 3.44Å; A388-M392 PolarHBondContact O-N 3.39Å; R390-M392 VanDerWaalsContact C-N 3.31Å; R390-M392 PolarHBondContact O-N 3.46Å; M392-D394 VanDerWaalsContact C-N 3.26Å; M392-D394 PolarHBondContact O-N 3.39Å; M392-Q395 PolarHBondContact O-N 2.9Å; M392-D396 WeakPolarHBondContact CG-OD2 3.17Å; M392-D396 WeakPolarHBondContact O-CB 3.14Å; M392-D396 PolarHBondContact O-N 3.46Å; M392-F434 HydrophobicContact CB-CD1 4.37Å; M392-F434 HydrophobicContact CE-CD1 3.82Å; M392-F434 HydrophobicContact SD-CD1 3.43Å; M392-F434 WeakPolarHBondContact SD-CD1 3.45Å; M392-F434 HydrophobicContact SD-CE1 3.56Å; M392-F434 VanDerWaalsContact SD-CE1 3.56Å; M392-V437 HydrophobicContact CE-CB 3.88Å; M392-V437 HydrophobicContact CE-CG1 3.5Å; M392-V437 VanDerWaalsContact CE-CG1 3.5Å; M392-L438 HydrophobicContact CE-CD2 4.32Å; M392-L438 HydrophobicContact CE-CG 4.3Å
393G85.6Confident87.8Confident7 Ų732.4 Ų32.47%0.07216%0.159CC..Hα-helixtrans-59.5-34.3176.700000113.8G389 R390 K397 D398G389-G393 PolarHBondContact O-N 2.92Å; R390-G393 PolarHBondContact O-N 3.35Å; G393-K397 VanDerWaalsContact O-CA 3.29Å; G393-K397 WeakPolarHBondContact O-CA 3.16Å; G393-K397 PolarHBondContact O-N 3.34Å; G393-D398 VanDerWaalsContact CA-O 3.28Å; G393-D398 WeakPolarHBondContact CA-O 3.27Å; G393-D398 PolarHBondContact O-N 3.01Å; G393-D398 VanDerWaalsContact O-N 3.13Å
394D83.8Confident87.5Confident53 Ų5335.1 Ų35.128%0.28317%0.172SC..Hα-helixtrans-72.4-38.5175.5-80-41.5000113.5R390 K391 M392 K397R390-D394 IonicContact CZ-OD1 3.34Å; R390-D394 IonicContact CZ-OD2 3.88Å; R390-D394 IonicContact NE-OD1 2.75Å; R390-D394 IonicContact NE-OD2 2.75Å; R390-D394 PolarHBondContact NE-OD2 3.23Å; R390-D394 IonicContact NH2-OD1 3.94Å; R390-D394 PolarHBondContact NH2-OD1 3.39Å; R390-D394 IonicContact NH2-OD2 3.51Å; R390-D394 PolarHBondContact O-N 3.43Å; K391-D394 PolarHBondContact O-N 3.14Å; M392-D394 VanDerWaalsContact C-N 3.26Å; M392-D394 PolarHBondContact O-N 3.39Å; D394-K397 PolarHBondContact O-NZ 3.25Å
395Q79.6Confident87.4Confident48 Ų4832.5 Ų32.522%0.22416%0.161CC..Hα-helixtrans-71.5-45.9177.9-73.6176.2-3100111.7K391 M392 M443 V445K391-Q395 VanDerWaalsContact O-CG 3.3Å; K391-Q395 WeakPolarHBondContact O-CG 3.47Å; K391-Q395 PolarHBondContact O-N 2.78Å; M392-Q395 PolarHBondContact O-N 2.9Å; Q395-M443 PolarHBondContact NE2-O 3.27Å; Q395-V445 HydrophobicContact CB-CG2 4.3Å
396D79.2Confident87.3Confident24 Ų2433.5 Ų33.513%0.12817%0.166CC..Hα-helixtrans-87-5.7-177-80.8-48.7000114.2M392 D398 L453 K456M392-D396 WeakPolarHBondContact CG-OD2 3.17Å; M392-D396 WeakPolarHBondContact O-CB 3.14Å; M392-D396 PolarHBondContact O-N 3.46Å; D396-D398 HydrophobicContact CB-CB 4.18Å; D396-D398 PolarHBondContact O-N 3.35Å; D396-L453 WeakPolarHBondContact O-CD2 3.31Å; D396-K456 HydrophobicContact CB-CD 4.31Å; D396-K456 VanDerWaalsContact O-CD 3.25Å; D396-K456 WeakPolarHBondContact O-CD 3.34Å; D396-K456 WeakPolarHBondContact O-CG 3.44Å; D396-K456 IonicContact OD1-NZ 3.84Å; D396-K456 PolarHBondContact OD1-NZ 3.27Å
397K84.4Confident87.2Confident52 Ų5235 Ų3523%0.22618%0.175CC..THydrogen-bonded Turntrans5237.4-171.8-52.4-59.9-179.9-149.30112.4M15 G393 D394 L453 K456M15-K397 HydrophobicContact CE-CD 3.91Å; G393-K397 VanDerWaalsContact O-CA 3.29Å; G393-K397 WeakPolarHBondContact O-CA 3.16Å; G393-K397 PolarHBondContact O-N 3.34Å; D394-K397 PolarHBondContact O-NZ 3.25Å; K397-L453 HydrophobicContact CB-CD2 4.36Å; K397-L453 HydrophobicContact CB-CG 4.32Å; K397-L453 HydrophobicContact CG-CD2 4.28Å; K397-L453 HydrophobicContact CG-CG 4.18Å; K397-K456 PolarHBondContact O-N 3.33Å
398D84.1Confident87.3Confident3 Ų331.9 Ų31.92%0.01616%0.163CC..  trans-112.7103.4-179.8-174.4-11.3000109.8G393 D396 Q400 C401 K456 K773G393-D398 VanDerWaalsContact CA-O 3.28Å; G393-D398 WeakPolarHBondContact CA-O 3.27Å; G393-D398 PolarHBondContact O-N 3.01Å; G393-D398 VanDerWaalsContact O-N 3.13Å; D396-D398 HydrophobicContact CB-CB 4.18Å; D396-D398 PolarHBondContact O-N 3.35Å; D398-Q400 PolarHBondContact O-N 3Å; D398-Q400 VanDerWaalsContact OD1-CB 3.24Å; D398-Q400 WeakPolarHBondContact OD1-CB 3.43Å; D398-Q400 WeakPolarHBondContact OD1-CG 2.99Å; D398-Q400 PolarHBondContact OD1-N 3.42Å; D398-C401 PolarHBondContact O-N 2.81Å; D398-K456 HydrophobicContact CB-CB 4.05Å; D398-K456 HydrophobicContact CB-CD 4.4Å; D398-K773 IonicContact OD2-NZ 3.26Å; D398-K773 PolarHBondContact OD2-NZ 2.88Å
399P78.9Confident87.5Confident55 Ų5531.8 Ų31.836%0.35716%0.162SC..THydrogen-bonded Turntrans-62.3-23.2178.2-20.631.6000113.7C401 M402 H455P399-C401 VanDerWaalsContact C-N 3.28Å; P399-C401 PolarHBondContact O-N 3.45Å; P399-M402 PolarHBondContact O-N 3.1Å; P399-H455 VanDerWaalsContact CG-CE1 3.4Å; P399-H455 WeakPolarHBondContact CG-CE1 3.45Å
400Q83.6Confident87.7Confident44 Ų4432.3 Ų32.321%0.20617%0.165CC..Hα-helixtrans-73.4-21.7-173.6-55.9-171-8.900112.8D398 M402 T403 Q404 N458D398-Q400 PolarHBondContact O-N 3Å; D398-Q400 VanDerWaalsContact OD1-CB 3.24Å; D398-Q400 WeakPolarHBondContact OD1-CB 3.43Å; D398-Q400 WeakPolarHBondContact OD1-CG 2.99Å; D398-Q400 PolarHBondContact OD1-N 3.42Å; Q400-M402 PolarHBondContact O-N 3.09Å; Q400-T403 PolarHBondContact O-N 2.74Å; Q400-Q404 PolarHBondContact O-N 2.73Å; Q400-N458 VanDerWaalsContact CD-CB 3.46Å; Q400-N458 PolarHBondContact OE1-ND2 2.85Å
401C87.5Confident87.9Confident6 Ų629.6 Ų29.64%0.04116%0.155CC..Hα-helixtrans-53.8-38.1174.3-66.50000111.7G389 D398 P399 A405 F434G389-C401 WeakPolarHBondContact O-CB 3.4Å; D398-C401 PolarHBondContact O-N 2.81Å; P399-C401 VanDerWaalsContact C-N 3.28Å; P399-C401 PolarHBondContact O-N 3.45Å; C401-A405 VanDerWaalsContact O-CB 3.29Å; C401-A405 WeakPolarHBondContact O-CB 3.14Å; C401-A405 PolarHBondContact O-N 3.31Å; C401-F434 HydrophobicContact CB-CE1 4.16Å; C401-F434 HydrophobicContact CB-CZ 4.19Å; C401-F434 WeakPolarHBondContact O-CE2 3.28Å
402M89.1Confident88.3Confident7 Ų724.6 Ų24.63%0.03413%0.133CC..Hα-helixtrans-69.4-41.2176.7-77.4-55.5-62.500113.1Q317 F336 M386 R390 P399 Q400 Q404 A405 L406Q317-M402 WeakPolarHBondContact O-CE 3.18Å; F336-M402 HydrophobicContact CD2-CE 4.04Å; M386-M402 HydrophobicContact CE-CE 3.61Å; R390-M402 WeakPolarHBondContact CA-SD 3.47Å; R390-M402 HydrophobicContact CB-CE 4.42Å; R390-M402 HydrophobicContact CB-SD 3.47Å; R390-M402 WeakPolarHBondContact CB-SD 3.49Å; R390-M402 HydrophobicContact CG-SD 4.2Å; R390-M402 PolarHBondContact N-SD 3.18Å; P399-M402 PolarHBondContact O-N 3.1Å; Q400-M402 PolarHBondContact O-N 3.09Å; M402-Q404 VanDerWaalsContact C-N 3.33Å; M402-A405 PolarHBondContact O-N 2.87Å; M402-L406 WeakPolarHBondContact O-CB 3.3Å; M402-L406 PolarHBondContact O-N 2.95Å
403T88.1Confident88.9Confident82 Ų8224.8 Ų24.850%0.50313%0.134SC..Hα-helixtrans-65-41.2177-54.60000110.6Q400 L406 T407Q400-T403 PolarHBondContact O-N 2.74Å; T403-L406 PolarHBondContact O-N 2.83Å; T403-T407 PolarHBondContact O-N 3.43Å; T403-T407 PolarHBondContact O-OG1 3.16Å; T403-T407 VanDerWaalsContact O-OG1 3.09Å
404Q89.3Confident89.3Confident57 Ų5724.5 Ų24.527%0.26613%0.131SC..Hα-helixtrans-66.9-43.3177-166.468.510.400111.8T243 Q400 M402 L406 T407 N408 F434T243-Q404 PolarHBondContact OG1-NE2 3.23Å; Q400-Q404 PolarHBondContact O-N 2.73Å; M402-Q404 VanDerWaalsContact C-N 3.33Å; Q404-L406 VanDerWaalsContact C-N 3.3Å; Q404-L406 PolarHBondContact O-N 2.79Å; Q404-T407 WeakPolarHBondContact O-CB 3.31Å; Q404-T407 PolarHBondContact O-N 3.04Å; Q404-N408 VanDerWaalsContact O-CG 3.28Å; Q404-N408 PolarHBondContact O-N 3.46Å; Q404-N408 PolarHBondContact O-OD1 3.32Å; Q404-F434 HydrophobicContact CB-CE2 3.84Å; Q404-F434 HydrophobicContact CB-CZ 3.89Å; Q404-F434 HydrophobicContact CG-CE2 3.96Å; Q404-F434 HydrophobicContact CG-CZ 4.04Å
405A93.4Very high89.8Confident0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-61.4-42176.300000110.9M386 C401 M402 T407 N408 V409 F434M386-A405 HydrophobicContact SD-CB 4.06Å; C401-A405 VanDerWaalsContact O-CB 3.29Å; C401-A405 WeakPolarHBondContact O-CB 3.14Å; C401-A405 PolarHBondContact O-N 3.31Å; M402-A405 PolarHBondContact O-N 2.87Å; A405-T407 VanDerWaalsContact C-N 3.35Å; A405-T407 PolarHBondContact O-N 2.8Å; A405-N408 WeakPolarHBondContact O-CB 3.41Å; A405-N408 PolarHBondContact O-N 2.96Å; A405-V409 WeakPolarHBondContact O-CG1 3.47Å; A405-V409 WeakPolarHBondContact O-CG2 3Å; A405-V409 PolarHBondContact O-N 2.86Å; A405-F434 HydrophobicContact CB-CD2 3.75Å; A405-F434 HydrophobicContact CB-CE2 3.87Å
406L93.3Very high90.5Very high20 Ų2021.6 Ų21.611%0.10512%0.115CC..Hα-helixtrans-59.5-45.1174.9-17765.3000111.9M315 Q317 M386 M402 T403 Q404 V409 L410M315-L406 HydrophobicContact CE-CD1 4.04Å; Q317-L406 HydrophobicContact CB-CD2 4.4Å; Q317-L406 HydrophobicContact CG-CD2 3.55Å; M386-L406 HydrophobicContact CE-CB 4.31Å; M386-L406 HydrophobicContact CE-CD1 4.06Å; M386-L406 VanDerWaalsContact SD-CA 3.57Å; M386-L406 HydrophobicContact SD-CB 4.13Å; M386-L406 HydrophobicContact SD-CD1 4.27Å; M386-L406 PolarHBondContact SD-N 2.94Å; M402-L406 WeakPolarHBondContact O-CB 3.3Å; M402-L406 PolarHBondContact O-N 2.95Å; T403-L406 PolarHBondContact O-N 2.83Å; Q404-L406 VanDerWaalsContact C-N 3.3Å; Q404-L406 PolarHBondContact O-N 2.79Å; L406-V409 HydrophobicContact CD1-CG2 4.26Å; L406-V409 WeakPolarHBondContact O-CG2 3.39Å; L406-V409 PolarHBondContact O-N 2.64Å; L406-L410 HydrophobicContact CD1-CD1 4.42Å; L406-L410 HydrophobicContact CD1-CG 4.48Å; L406-L410 HydrophobicContact CG-CD1 4.2Å; L406-L410 VanDerWaalsContact O-CG 3.29Å; L406-L410 WeakPolarHBondContact O-CG 3.49Å; L406-L410 PolarHBondContact O-N 3.12Å; L406-L410 VanDerWaalsContact O-N 3.08Å
407T93Very high91Very high32 Ų3221.7 Ų21.720%0.19612%0.122CC..Hα-helixtrans-60.7-47.4175.5-61.60000111.1V238 T403 Q404 A405 V409 L410 L411V238-T407 HydrophobicContact CG2-CG2 3.35Å; T403-T407 PolarHBondContact O-N 3.43Å; T403-T407 PolarHBondContact O-OG1 3.16Å; T403-T407 VanDerWaalsContact O-OG1 3.09Å; Q404-T407 WeakPolarHBondContact O-CB 3.31Å; Q404-T407 PolarHBondContact O-N 3.04Å; A405-T407 VanDerWaalsContact C-N 3.35Å; A405-T407 PolarHBondContact O-N 2.8Å; T407-V409 VanDerWaalsContact C-N 3.33Å; T407-V409 PolarHBondContact O-N 2.92Å; T407-L410 PolarHBondContact O-N 3.42Å; T407-L411 HydrophobicContact CG2-CD1 4.28Å; T407-L411 WeakPolarHBondContact O-CG 3.22Å; T407-L411 PolarHBondContact O-N 3.29Å
408N95.2Very high91.3Very high0 Ų020.1 Ų20.10%012%0.117CC..Hα-helixtrans-56-46.6178-68.8-12.7000111.3E385 Q404 A405 L411 M412E385-N408 HydrophobicContact CG-CB 4.19Å; E385-N408 PolarHBondContact OE1-ND2 3.02Å; Q404-N408 VanDerWaalsContact O-CG 3.28Å; Q404-N408 PolarHBondContact O-N 3.46Å; Q404-N408 PolarHBondContact O-OD1 3.32Å; A405-N408 WeakPolarHBondContact O-CB 3.41Å; A405-N408 PolarHBondContact O-N 2.96Å; N408-L411 WeakPolarHBondContact O-CB 3.19Å; N408-L411 PolarHBondContact O-N 2.76Å; N408-M412 HydrophobicContact CB-CE 4.14Å; N408-M412 VanDerWaalsContact O-CG 3.27Å; N408-M412 WeakPolarHBondContact O-CG 3.48Å; N408-M412 PolarHBondContact O-N 3.47Å
409V96.1Very high91.6Very high0 Ų020.8 Ų20.80%012%0.121CC..Hα-helixtrans-72-30.5-177.6-60.90000114M315 I382 E385 M386 A405 L406 T407 M412 D413M315-V409 HydrophobicContact CE-CG2 3.63Å; I382-V409 HydrophobicContact CB-CB 4.23Å; I382-V409 HydrophobicContact CB-CG1 4.2Å; I382-V409 HydrophobicContact CG1-CB 3.98Å; I382-V409 HydrophobicContact CG1-CG1 4.31Å; I382-V409 HydrophobicContact CG2-CB 3.91Å; I382-V409 HydrophobicContact CG2-CG1 4.06Å; I382-V409 HydrophobicContact CG2-CG2 4.26Å; I382-V409 WeakPolarHBondContact O-CG1 3.41Å; E385-V409 HydrophobicContact CB-CG1 3.71Å; E385-V409 HydrophobicContact CG-CG1 3.83Å; M386-V409 HydrophobicContact CG-CG1 3.99Å; M386-V409 HydrophobicContact CG-CG2 4.07Å; M386-V409 HydrophobicContact SD-CG1 4.41Å; M386-V409 HydrophobicContact SD-CG2 3.86Å; A405-V409 WeakPolarHBondContact O-CG1 3.47Å; A405-V409 WeakPolarHBondContact O-CG2 3Å; A405-V409 PolarHBondContact O-N 2.86Å; L406-V409 HydrophobicContact CD1-CG2 4.26Å; L406-V409 WeakPolarHBondContact O-CG2 3.39Å; L406-V409 PolarHBondContact O-N 2.64Å; T407-V409 VanDerWaalsContact C-N 3.33Å; T407-V409 PolarHBondContact O-N 2.92Å; V409-M412 HydrophobicContact CG1-SD 4.24Å; V409-M412 WeakPolarHBondContact O-CB 3.22Å; V409-M412 PolarHBondContact O-N 3.24Å; V409-D413 PolarHBondContact O-N 3.5Å
410L95Very high91.8Very high11 Ų1124.2 Ų24.26%0.05814%0.137CC..Hα-helixtrans-71.3-35.3172.7-67.2176000111.3W271 T274 S298 K299 L406 T407 D413 A414W271-L410 HydrophobicContact CE3-CB 4.47Å; W271-L410 HydrophobicContact CH2-CB 4.04Å; W271-L410 HydrophobicContact CZ3-CB 3.65Å; T274-L410 HydrophobicContact CG2-CD2 4.41Å; S298-L410 WeakPolarHBondContact O-CD2 3.45Å; K299-L410 HydrophobicContact CB-CD2 4.41Å; L406-L410 HydrophobicContact CD1-CD1 4.42Å; L406-L410 HydrophobicContact CD1-CG 4.48Å; L406-L410 HydrophobicContact CG-CD1 4.2Å; L406-L410 VanDerWaalsContact O-CG 3.29Å; L406-L410 WeakPolarHBondContact O-CG 3.49Å; L406-L410 PolarHBondContact O-N 3.12Å; L406-L410 VanDerWaalsContact O-N 3.08Å; T407-L410 PolarHBondContact O-N 3.42Å; L410-D413 PolarHBondContact O-N 2.84Å; L410-A414 PolarHBondContact O-N 3.16Å; L410-A414 VanDerWaalsContact O-N 3.11Å
411L96.1Very high91.6Very high1 Ų127.2 Ų27.21%0.00516%0.16CC..Hα-helixtrans-65.6-42.8170.8-70.2177000111.4I237 V238 T243 L247 F267 W271 T407 N408 D413 A414 V415 L431I237-L411 HydrophobicContact CG2-CD2 3.86Å; V238-L411 HydrophobicContact CG2-CD1 3.92Å; V238-L411 HydrophobicContact CG2-CD2 4.34Å; V238-L411 HydrophobicContact CG2-CG 4.4Å; T243-L411 HydrophobicContact CG2-CD1 3.66Å; L247-L411 HydrophobicContact CD1-CD2 4.32Å; L247-L411 HydrophobicContact CD2-CD2 3.99Å; F267-L411 HydrophobicContact CE2-CD2 4.06Å; F267-L411 HydrophobicContact CZ-CD2 3.78Å; W271-L411 HydrophobicContact CE3-CD2 4.06Å; W271-L411 HydrophobicContact CH2-CD2 4.47Å; W271-L411 HydrophobicContact CZ3-CD2 3.67Å; W271-L411 HydrophobicContact CZ3-CG 4.06Å; T407-L411 HydrophobicContact CG2-CD1 4.28Å; T407-L411 WeakPolarHBondContact O-CG 3.22Å; T407-L411 PolarHBondContact O-N 3.29Å; N408-L411 WeakPolarHBondContact O-CB 3.19Å; N408-L411 PolarHBondContact O-N 2.76Å; L411-D413 VanDerWaalsContact C-N 3.25Å; L411-D413 PolarHBondContact O-N 3.11Å; L411-A414 PolarHBondContact O-N 3.39Å; L411-V415 WeakPolarHBondContact O-CB 3.46Å; L411-V415 WeakPolarHBondContact O-CG2 3.42Å; L411-V415 PolarHBondContact O-N 3.49Å; L411-L431 HydrophobicContact CB-CD1 3.71Å; L411-L431 HydrophobicContact CB-CD2 4.32Å; L411-L431 HydrophobicContact CD1-CD2 4.21Å
412M96.3Very high91.2Very high0 Ų036 Ų360%020%0.199CC..Hα-helixtrans-56.5-42.3175-71.1171.5-159.200111.4L378 L381 E385 N408 V409 F416 A428 L431 V432L378-M412 HydrophobicContact CD1-CB 4.16Å; L381-M412 HydrophobicContact CB-SD 4.41Å; E385-M412 HydrophobicContact CB-CE 4.12Å; E385-M412 HydrophobicContact CG-CE 3.85Å; N408-M412 HydrophobicContact CB-CE 4.14Å; N408-M412 VanDerWaalsContact O-CG 3.27Å; N408-M412 WeakPolarHBondContact O-CG 3.48Å; N408-M412 PolarHBondContact O-N 3.47Å; V409-M412 HydrophobicContact CG1-SD 4.24Å; V409-M412 WeakPolarHBondContact O-CB 3.22Å; V409-M412 PolarHBondContact O-N 3.24Å; M412-F416 WeakPolarHBondContact O-CB 3.44Å; M412-F416 PolarHBondContact O-N 3.35Å; M412-A428 HydrophobicContact CB-CB 4.17Å; M412-A428 HydrophobicContact CG-CB 4.39Å; M412-L431 HydrophobicContact CE-CB 4.06Å; M412-L431 HydrophobicContact CG-CB 3.77Å; M412-L431 HydrophobicContact CG-CD1 4.13Å; M412-V432 HydrophobicContact CE-CB 4.12Å; M412-V432 HydrophobicContact CE-CG2 3.53Å; M412-V432 HydrophobicContact SD-CG2 4.17Å
413D94.6Very high91.1Very high18 Ų1837.8 Ų37.810%0.09621%0.206CC..Hα-helixtrans-63.1-47.7177.8-171.146.4000112.3T274 K299 L378 V409 L410 L411 V415 F416 G417T274-D413 WeakPolarHBondContact CG2-OD2 3.22Å; T274-D413 PolarHBondContact OG1-OD2 2.93Å; T274-D413 VanDerWaalsContact OG1-OD2 3.1Å; K299-D413 HydrophobicContact CD-CB 4.38Å; K299-D413 WeakPolarHBondContact CE-OD1 3.21Å; K299-D413 IonicContact NZ-OD1 2.69Å; K299-D413 PolarHBondContact NZ-OD1 2.91Å; K299-D413 IonicContact NZ-OD2 2.72Å; K299-D413 PolarHBondContact NZ-OD2 3.48Å; L378-D413 WeakPolarHBondContact CD2-OD1 3.29Å; V409-D413 PolarHBondContact O-N 3.5Å; L410-D413 PolarHBondContact O-N 2.84Å; L411-D413 VanDerWaalsContact C-N 3.25Å; L411-D413 PolarHBondContact O-N 3.11Å; D413-V415 PolarHBondContact O-N 2.99Å; D413-F416 PolarHBondContact O-N 2.84Å; D413-G417 PolarHBondContact O-N 3.42Å
414A94.9Very high91.1Very high1 Ų134 Ų341%0.00818%0.183CC..Hα-helixtrans-64.1-40.6178.200000112.3F267 F270 W271 L410 L411 G417 C418F267-A414 HydrophobicContact CD2-CB 3.69Å; F267-A414 HydrophobicContact CE2-CB 3.6Å; F270-A414 HydrophobicContact CB-CB 4.4Å; W271-A414 HydrophobicContact CB-CB 4.24Å; W271-A414 HydrophobicContact CE3-CB 4.38Å; L410-A414 PolarHBondContact O-N 3.16Å; L410-A414 VanDerWaalsContact O-N 3.11Å; L411-A414 PolarHBondContact O-N 3.39Å; A414-G417 PolarHBondContact O-N 3.11Å; A414-C418 WeakPolarHBondContact O-CB 3.43Å; A414-C418 PolarHBondContact O-N 3.45Å; A414-C418 VanDerWaalsContact O-N 3.09Å; A414-C418 PolarHBondContact O-SG 3.35Å
415V95.1Very high91.2Very high0 Ų034.3 Ų34.30%019%0.186CC..Hα-helixtrans-64.2-42.3173.9169.60000111.2L247 A250 L251 F267 L411 D413 G417 C418 L419 A427 L431L247-V415 HydrophobicContact CD1-CG2 3.52Å; A250-V415 HydrophobicContact CB-CG1 4.23Å; A250-V415 HydrophobicContact CB-CG2 4.31Å; L251-V415 HydrophobicContact CD2-CG2 3.95Å; L251-V415 HydrophobicContact CG-CG2 4.37Å; F267-V415 HydrophobicContact CD2-CG2 4.34Å; F267-V415 HydrophobicContact CE2-CG2 4.41Å; L411-V415 WeakPolarHBondContact O-CB 3.46Å; L411-V415 WeakPolarHBondContact O-CG2 3.42Å; L411-V415 PolarHBondContact O-N 3.49Å; D413-V415 PolarHBondContact O-N 2.99Å; V415-G417 VanDerWaalsContact C-N 3.33Å; V415-G417 PolarHBondContact O-N 3.39Å; V415-C418 PolarHBondContact O-N 3.03Å; V415-C418 PolarHBondContact O-SG 3.06Å; V415-C418 VanDerWaalsContact O-SG 3.37Å; V415-L419 HydrophobicContact CG1-CD1 3.8Å; V415-L419 WeakPolarHBondContact O-CG 3.5Å; V415-L419 PolarHBondContact O-N 3.25Å; V415-A427 HydrophobicContact CG1-CB 3.83Å; V415-L431 HydrophobicContact CB-CD1 4.37Å; V415-L431 HydrophobicContact CG2-CD1 3.79Å
416F93.6Very high91Very high40 Ų4037.7 Ų37.718%0.17521%0.209CC..Hα-helixtrans-64.4-39.8-180-178.5-90.6000111.8L378 M412 D413 S424 I425L378-F416 HydrophobicContact CB-CD2 4.12Å; L378-F416 HydrophobicContact CB-CE2 4.2Å; L378-F416 HydrophobicContact CB-CG 4.27Å; L378-F416 HydrophobicContact CB-CZ 4.44Å; L378-F416 HydrophobicContact CD1-CB 3.95Å; L378-F416 HydrophobicContact CD1-CD2 4.37Å; L378-F416 HydrophobicContact CD1-CG 4.19Å; L378-F416 HydrophobicContact CD2-CB 3.92Å; L378-F416 HydrophobicContact CD2-CD1 3.67Å; L378-F416 HydrophobicContact CD2-CD2 4.43Å; L378-F416 HydrophobicContact CD2-CE1 4.28Å; L378-F416 HydrophobicContact CD2-CG 3.75Å; L378-F416 HydrophobicContact CG-CB 4.46Å; L378-F416 HydrophobicContact CG-CG 4.28Å; M412-F416 WeakPolarHBondContact O-CB 3.44Å; M412-F416 PolarHBondContact O-N 3.35Å; D413-F416 PolarHBondContact O-N 2.84Å; F416-S424 WeakPolarHBondContact CD2-OG 3.29Å; F416-S424 VanDerWaalsContact CE2-OG 3.27Å; F416-S424 WeakPolarHBondContact CE2-OG 3.5Å; F416-S424 WeakPolarHBondContact O-CB 3.25Å; F416-I425 HydrophobicContact CE2-CB 4.41Å; F416-I425 HydrophobicContact CE2-CD1 4.44Å
417G90.1Very high91Very high27 Ų2736.8 Ų36.828%0.27821%0.205SC..Hα-helixtrans-69.6-3617700000113.7F270 D413 A414 V415F270-G417 WeakPolarHBondContact CE2-O 3.34Å; F270-G417 WeakPolarHBondContact CZ-O 3.44Å; D413-G417 PolarHBondContact O-N 3.42Å; A414-G417 PolarHBondContact O-N 3.11Å; V415-G417 VanDerWaalsContact C-N 3.33Å; V415-G417 PolarHBondContact O-N 3.39Å
418C91.1Very high91.1Very high18 Ų1835.3 Ų35.312%0.12220%0.196CC..Hα-helixtrans-83.9-15.9-17276.20000115.2M266 F267 F270 A414 V415M266-C418 HydrophobicContact CB-CB 3.81Å; F267-C418 HydrophobicContact CB-CB 4.21Å; F270-C418 HydrophobicContact CD2-CB 4Å; F270-C418 HydrophobicContact CE2-CB 4.47Å; A414-C418 WeakPolarHBondContact O-CB 3.43Å; A414-C418 PolarHBondContact O-N 3.45Å; A414-C418 VanDerWaalsContact O-N 3.09Å; A414-C418 PolarHBondContact O-SG 3.35Å; V415-C418 PolarHBondContact O-N 3.03Å; V415-C418 PolarHBondContact O-SG 3.06Å; V415-C418 VanDerWaalsContact O-SG 3.37Å
419L88.6Confident91Very high18 Ų1837.3 Ų37.39%0.09421%0.21CC..SBendtrans-106.3161.5-175.8-62.8179.1000112.7V263 V415 R423 A427V263-L419 HydrophobicContact CG1-CD2 4.13Å; V415-L419 HydrophobicContact CG1-CD1 3.8Å; V415-L419 WeakPolarHBondContact O-CG 3.5Å; V415-L419 PolarHBondContact O-N 3.25Å; L419-R423 HydrophobicContact CD1-CG 4.38Å; L419-A427 HydrophobicContact CD1-CB 3.34Å
420N83.3Confident90.8Very high127 Ų12740.8 Ų40.868%0.67923%0.225SC*.  trans-58.3142.7175.7-73.6-40.6000111.7H422 R423 S424N420-H422 PolarHBondContact O-N 3.3Å; N420-R423 PolarHBondContact O-N 3.49Å; N420-S424 WeakPolarHBondContact O-CB 3.47Å; N420-S424 PolarHBondContact O-N 2.94Å
421P80.1Confident90.8Very high106 Ų10640.2 Ų40.269%0.68822%0.222SC*.THydrogen-bonded Turntrans-55.9-26.6-175.4-2834.7000115.6S424P421-S424 PolarHBondContact O-OG 3.28Å
422H79.9Confident90.7Very high190 Ų19040.6 Ų40.688%0.8822%0.224SC*.THydrogen-bonded Turntrans-76.8-25.1178.5-64.1-68.1000113.6N420N420-H422 PolarHBondContact O-N 3.3Å
423R85.4Confident90.4Very high46 Ų4644.9 Ų44.917%0.17424%0.241CC..THydrogen-bonded Turntrans-100.1-32.9179.1177.6-179.7164.9-151.2-12.9112.4A250 L251 T252 D253 L419 N420 I425 S426 A427A250-R423 PolarHBondContact O-NH2 2.72Å; L251-R423 PolarHBondContact O-NH2 3.21Å; T252-R423 VanDerWaalsContact C-NH2 3.28Å; T252-R423 PolarHBondContact O-NH2 2.99Å; D253-R423 VanDerWaalsContact CG-CZ 3.4Å; D253-R423 WeakPolarHBondContact OD1-CD 3.22Å; D253-R423 IonicContact OD1-CZ 2.73Å; D253-R423 IonicContact OD1-NE 3.64Å; D253-R423 PolarHBondContact OD1-NE 2.65Å; D253-R423 IonicContact OD1-NH1 3.74Å; D253-R423 WeakPolarHBondContact OD2-CD 3.37Å; D253-R423 IonicContact OD2-CZ 3.76Å; D253-R423 VanDerWaalsContact OD2-CZ 3.26Å; D253-R423 IonicContact OD2-NE 2.76Å; D253-R423 PolarHBondContact OD2-NE 3.21Å; D253-R423 IonicContact OD2-NH1 3.82Å; D253-R423 PolarHBondContact OD2-NH1 3.01Å; L419-R423 HydrophobicContact CD1-CG 4.38Å; N420-R423 PolarHBondContact O-N 3.49Å; R423-I425 VanDerWaalsContact C-N 3.31Å; R423-I425 PolarHBondContact O-N 2.99Å; R423-I425 VanDerWaalsContact O-N 3.12Å; R423-S426 PolarHBondContact O-N 2.7Å; R423-A427 HydrophobicContact CG-CB 4.25Å; R423-A427 PolarHBondContact O-N 3.33Å
424S88.3Confident90.2Very high3 Ų344.4 Ų44.42%0.02124%0.238CC..Hα-helixtrans-51.5-42.5-163.8610000114.5F416 N420 P421 A428F416-S424 WeakPolarHBondContact CD2-OG 3.29Å; F416-S424 VanDerWaalsContact CE2-OG 3.27Å; F416-S424 WeakPolarHBondContact CE2-OG 3.5Å; F416-S424 WeakPolarHBondContact O-CB 3.25Å; N420-S424 WeakPolarHBondContact O-CB 3.47Å; N420-S424 PolarHBondContact O-N 2.94Å; P421-S424 PolarHBondContact O-OG 3.28Å; S424-A428 WeakPolarHBondContact O-CB 3.32Å; S424-A428 PolarHBondContact O-N 3.25Å
425I91.4Very high89.8Confident62 Ų6245.7 Ų45.732%0.31825%0.245SC..Hα-helixtrans-71.5-40.3179.7-16665000113G377 L381 F416 R423 A428 S429G377-I425 VanDerWaalsContact C-CD1 3.44Å; L381-I425 HydrophobicContact CD1-CD1 3.53Å; L381-I425 HydrophobicContact CD1-CG1 4.25Å; L381-I425 HydrophobicContact CG-CD1 4.27Å; F416-I425 HydrophobicContact CE2-CB 4.41Å; F416-I425 HydrophobicContact CE2-CD1 4.44Å; R423-I425 VanDerWaalsContact C-N 3.31Å; R423-I425 PolarHBondContact O-N 2.99Å; R423-I425 VanDerWaalsContact O-N 3.12Å; I425-A428 PolarHBondContact O-N 3.48Å; I425-S429 PolarHBondContact O-N 2.87Å
426S90.5Very high89.4Confident71 Ų7149.6 Ų49.650%0.49726%0.262SS..Hα-helixtrans-65.5-44.9177.3-179.70000110.3R423 S429R423-S426 PolarHBondContact O-N 2.7Å; S426-S429 WeakPolarHBondContact O-CB 3.46Å; S426-S429 PolarHBondContact O-N 3.48Å; S426-S429 PolarHBondContact O-OG 2.74Å
427A92.5Very high88.7Confident2 Ų248.6 Ų48.62%0.01726%0.259CS..Hα-helixtrans-59.7-48.5173.800000112.5A250 V415 L419 R423 S429 K430A250-A427 WeakPolarHBondContact CB-O 3.41Å; A250-A427 WeakPolarHBondContact O-CB 3.48Å; V415-A427 HydrophobicContact CG1-CB 3.83Å; L419-A427 HydrophobicContact CD1-CB 3.34Å; R423-A427 HydrophobicContact CG-CB 4.25Å; R423-A427 PolarHBondContact O-N 3.33Å; A427-S429 VanDerWaalsContact C-N 3.25Å; A427-S429 PolarHBondContact O-N 3.17Å; A427-K430 WeakPolarHBondContact O-CB 3.36Å; A427-K430 PolarHBondContact O-N 3.45Å; A427-K430 VanDerWaalsContact O-N 3.08Å
428A94.1Very high88.1Confident0 Ų048.8 Ų48.80%025%0.253CS..Hα-helixtrans-59.4-35.3177.100000112.4L381 M412 S424 I425 K430 L431L381-A428 HydrophobicContact CD1-CB 4.49Å; M412-A428 HydrophobicContact CB-CB 4.17Å; M412-A428 HydrophobicContact CG-CB 4.39Å; S424-A428 WeakPolarHBondContact O-CB 3.32Å; S424-A428 PolarHBondContact O-N 3.25Å; I425-A428 PolarHBondContact O-N 3.48Å; A428-K430 PolarHBondContact O-N 3.04Å; A428-L431 WeakPolarHBondContact O-CB 3.45Å; A428-L431 PolarHBondContact O-N 2.87Å; A428-L431 VanDerWaalsContact O-N 3.07Å
429S93.4Very high87.1Confident42 Ų4254.5 Ų54.529%0.29428%0.278SS..Hα-helixtrans-63.4-19.9177.381.30000114.5I425 S426 A427 L431 V432 K436I425-S429 PolarHBondContact O-N 2.87Å; S426-S429 WeakPolarHBondContact O-CB 3.46Å; S426-S429 PolarHBondContact O-N 3.48Å; S426-S429 PolarHBondContact O-OG 2.74Å; A427-S429 VanDerWaalsContact C-N 3.25Å; A427-S429 PolarHBondContact O-N 3.17Å; S429-L431 VanDerWaalsContact C-N 3.25Å; S429-L431 PolarHBondContact O-N 2.99Å; S429-V432 WeakPolarHBondContact O-CB 3.18Å; S429-V432 PolarHBondContact O-N 3.46Å; S429-K436 PolarHBondContact O-NZ 2.91Å; S429-K436 VanDerWaalsContact O-NZ 3.14Å
430K93.1Very high85.9Confident73 Ų7361 Ų6132%0.31731%0.308SS..THydrogen-bonded Turntrans-68.8-26.1174.4-62.1-169.1-172.11780112.2D249 A250 A427 A428 V432D249-K430 HydrophobicContact CB-CD 4.21Å; D249-K430 VanDerWaalsContact O-CD 3.28Å; D249-K430 WeakPolarHBondContact O-CD 3.49Å; D249-K430 PolarHBondContact O-NZ 2.93Å; A250-K430 HydrophobicContact CB-CB 4.29Å; A427-K430 WeakPolarHBondContact O-CB 3.36Å; A427-K430 PolarHBondContact O-N 3.45Å; A427-K430 VanDerWaalsContact O-N 3.08Å; A428-K430 PolarHBondContact O-N 3.04Å; K430-V432 VanDerWaalsContact C-N 3.32Å
431L94.7Very high84.6Confident0 Ų056.5 Ų56.50%029%0.285CS..THydrogen-bonded Turntrans-79.9-12.2176.7-73.2165.3000113.7R246 L247 A250 L411 M412 V415 A428 S429 Y433R246-L431 HydrophobicContact CB-CD2 4.09Å; L247-L431 HydrophobicContact CB-CD2 4.01Å; L247-L431 HydrophobicContact CD1-CD1 4.25Å; L247-L431 HydrophobicContact CD1-CD2 4.43Å; A250-L431 HydrophobicContact CB-CD1 4.39Å; A250-L431 HydrophobicContact CB-CG 4.21Å; L411-L431 HydrophobicContact CB-CD1 3.71Å; L411-L431 HydrophobicContact CB-CD2 4.32Å; L411-L431 HydrophobicContact CD1-CD2 4.21Å; M412-L431 HydrophobicContact CE-CB 4.06Å; M412-L431 HydrophobicContact CG-CB 3.77Å; M412-L431 HydrophobicContact CG-CD1 4.13Å; V415-L431 HydrophobicContact CB-CD1 4.37Å; V415-L431 HydrophobicContact CG2-CD1 3.79Å; A428-L431 WeakPolarHBondContact O-CB 3.45Å; A428-L431 PolarHBondContact O-N 2.87Å; A428-L431 VanDerWaalsContact O-N 3.07Å; S429-L431 VanDerWaalsContact C-N 3.25Å; S429-L431 PolarHBondContact O-N 2.99Å; L431-Y433 PolarHBondContact O-N 3.07Å
432V93.1Very high83.2Confident8 Ų859.1 Ų59.15%0.04829%0.293CS..  trans-67.6122.4177.7178.50000108.5L381 E385 M412 S429 K430 D435 K436L381-V432 HydrophobicContact CD2-CG2 4.17Å; E385-V432 WeakPolarHBondContact OE2-CG1 3.48Å; M412-V432 HydrophobicContact CE-CB 4.12Å; M412-V432 HydrophobicContact CE-CG2 3.53Å; M412-V432 HydrophobicContact SD-CG2 4.17Å; S429-V432 WeakPolarHBondContact O-CB 3.18Å; S429-V432 PolarHBondContact O-N 3.46Å; K430-V432 VanDerWaalsContact C-N 3.32Å; V432-D435 HydrophobicContact CG1-CB 3.6Å; V432-K436 HydrophobicContact CG1-CG 4.2Å; V432-K436 WeakPolarHBondContact O-CD 3.35Å; V432-K436 WeakPolarHBondContact O-CE 3.48Å; V432-K436 PolarHBondContact O-NZ 2.84Å
433Y91.4Very high82Confident91 Ų9152 Ų5236%0.35726%0.261SS..  trans-121.6-59.5-176.4175.8-104.3000111E385 L431 D435 K436 V437E385-Y433 PolarHBondContact OE1-N 2.86Å; E385-Y433 VanDerWaalsContact OE1-N 3.09Å; E385-Y433 PolarHBondContact OE2-N 2.82Å; L431-Y433 PolarHBondContact O-N 3.07Å; Y433-D435 PolarHBondContact O-N 3.48Å; Y433-K436 PolarHBondContact O-N 3.45Å; Y433-V437 HydrophobicContact CD2-CG2 4.36Å; Y433-V437 HydrophobicContact CE1-CG2 4.35Å; Y433-V437 HydrophobicContact CE2-CG2 4.01Å; Y433-V437 WeakPolarHBondContact O-CG2 3.36Å; Y433-V437 PolarHBondContact O-N 2.88Å
434F89.4Confident80.8Confident7 Ų757.8 Ų57.83%0.03129%0.292CS..Hα-helixtrans-66.3-40.5-173.7-69.3-69.3000112.6E385 A388 M392 C401 Q404 A405 K436 V437 L438E385-F434 WeakPolarHBondContact OE1-CD2 3.43Å; E385-F434 PolarHBondContact OE1-N 3.43Å; E385-F434 VanDerWaalsContact OE1-N 3.08Å; E385-F434 PolarHBondContact OE2-N 3.48Å; E385-F434 VanDerWaalsContact OE2-N 3.08Å; A388-F434 HydrophobicContact CB-CB 3.68Å; M392-F434 HydrophobicContact CB-CD1 4.37Å; M392-F434 HydrophobicContact CE-CD1 3.82Å; M392-F434 HydrophobicContact SD-CD1 3.43Å; M392-F434 WeakPolarHBondContact SD-CD1 3.45Å; M392-F434 HydrophobicContact SD-CE1 3.56Å; M392-F434 VanDerWaalsContact SD-CE1 3.56Å; C401-F434 HydrophobicContact CB-CE1 4.16Å; C401-F434 HydrophobicContact CB-CZ 4.19Å; C401-F434 WeakPolarHBondContact O-CE2 3.28Å; Q404-F434 HydrophobicContact CB-CE2 3.84Å; Q404-F434 HydrophobicContact CB-CZ 3.89Å; Q404-F434 HydrophobicContact CG-CE2 3.96Å; Q404-F434 HydrophobicContact CG-CZ 4.04Å; A405-F434 HydrophobicContact CB-CD2 3.75Å; A405-F434 HydrophobicContact CB-CE2 3.87Å; F434-K436 VanDerWaalsContact C-N 3.29Å; F434-K436 PolarHBondContact O-N 3.41Å; F434-V437 PolarHBondContact O-N 2.86Å; F434-L438 WeakPolarHBondContact O-CG 3.45Å; F434-L438 PolarHBondContact O-N 2.88Å; F434-L438 VanDerWaalsContact O-N 3.08Å
435D86.9Confident79.9Confident28 Ų2858.5 Ų58.515%0.1530%0.296CS..Hα-helixtrans-63-37.9177.6-16753000111.1E385 A388 V432 Y433 H439E385-D435 PolarHBondContact OE2-N 2.86Å; E385-D435 VanDerWaalsContact OE2-N 3.12Å; A388-D435 HydrophobicContact CB-CB 4.14Å; V432-D435 HydrophobicContact CG1-CB 3.6Å; Y433-D435 PolarHBondContact O-N 3.48Å; D435-H439 PolarHBondContact O-N 2.82Å; D435-H439 PolarHBondContact O-ND1 3.34Å; D435-H439 IonicContact OD1-CE1 3.4Å; D435-H439 PolarHBondContact OD1-CE1 2.97Å; D435-H439 IonicContact OD1-ND1 3.07Å; D435-H439 PolarHBondContact OD1-ND1 3.15Å
436K86.5Confident79.3Confident83 Ų8358.2 Ų58.236%0.36130%0.298SS..Hα-helixtrans-65.8-49.1175.6-70.6-177.7-172.9156.80111.8S429 V432 Y433 F434 L438 H439 E440S429-K436 PolarHBondContact O-NZ 2.91Å; S429-K436 VanDerWaalsContact O-NZ 3.14Å; V432-K436 HydrophobicContact CG1-CG 4.2Å; V432-K436 WeakPolarHBondContact O-CD 3.35Å; V432-K436 WeakPolarHBondContact O-CE 3.48Å; V432-K436 PolarHBondContact O-NZ 2.84Å; Y433-K436 PolarHBondContact O-N 3.45Å; F434-K436 VanDerWaalsContact C-N 3.29Å; F434-K436 PolarHBondContact O-N 3.41Å; K436-L438 VanDerWaalsContact C-N 3.26Å; K436-L438 PolarHBondContact O-N 2.99Å; K436-H439 PolarHBondContact O-N 2.76Å; K436-H439 VanDerWaalsContact O-N 3.07Å; K436-E440 WeakPolarHBondContact O-CB 3.07Å; K436-E440 WeakPolarHBondContact O-CG 3.49Å; K436-E440 PolarHBondContact O-N 2.86Å
437V79.3Confident78.8Confident18 Ų1860.6 Ų60.611%0.10931%0.305CS..Hα-helixtrans-58.6-39.7-179174.80000111.4M392 Y433 F434 V441 M443M392-V437 HydrophobicContact CE-CB 3.88Å; M392-V437 HydrophobicContact CE-CG1 3.5Å; M392-V437 VanDerWaalsContact CE-CG1 3.5Å; Y433-V437 HydrophobicContact CD2-CG2 4.36Å; Y433-V437 HydrophobicContact CE1-CG2 4.35Å; Y433-V437 HydrophobicContact CE2-CG2 4.01Å; Y433-V437 WeakPolarHBondContact O-CG2 3.36Å; Y433-V437 PolarHBondContact O-N 2.88Å; F434-V437 PolarHBondContact O-N 2.86Å; V437-V441 WeakPolarHBondContact O-CB 3.42Å; V437-V441 PolarHBondContact O-N 2.98Å; V437-M443 HydrophobicContact CG1-SD 4.27Å
438L76.1Confident78.4Confident32 Ų3263.5 Ų63.517%0.16832%0.323CS..Hα-helixtrans-70.5-26.8177.8-74.5178.4000114.6A388 K391 M392 F434 K436A388-L438 HydrophobicContact CB-CD1 3.56Å; K391-L438 HydrophobicContact CB-CD1 4.29Å; K391-L438 HydrophobicContact CD-CD1 4.13Å; M392-L438 HydrophobicContact CE-CD2 4.32Å; M392-L438 HydrophobicContact CE-CG 4.3Å; F434-L438 WeakPolarHBondContact O-CG 3.45Å; F434-L438 PolarHBondContact O-N 2.88Å; F434-L438 VanDerWaalsContact O-N 3.08Å; K436-L438 VanDerWaalsContact C-N 3.26Å; K436-L438 PolarHBondContact O-N 2.99Å
439H70.4Confident78.1Confident138 Ų13863.5 Ų63.564%0.63932%0.323SS*.Hα-helixtrans-91.7-33.5-179.6-7584.7000112.8D435 K436D435-H439 PolarHBondContact O-N 2.82Å; D435-H439 PolarHBondContact O-ND1 3.34Å; D435-H439 IonicContact OD1-CE1 3.4Å; D435-H439 PolarHBondContact OD1-CE1 2.97Å; D435-H439 IonicContact OD1-ND1 3.07Å; D435-H439 PolarHBondContact OD1-ND1 3.15Å; K436-H439 PolarHBondContact O-N 2.76Å; K436-H439 VanDerWaalsContact O-N 3.07Å
440E63.2Low77.6Confident154 Ų15463.5 Ų63.572%0.7232%0.323SS*.Hα-helixtrans-78.5-28.1178.7-71176.4-178.200112.3K436K436-E440 WeakPolarHBondContact O-CB 3.07Å; K436-E440 WeakPolarHBondContact O-CG 3.49Å; K436-E440 PolarHBondContact O-N 2.86Å
441V56.3Low77.3Confident32 Ų3266.5 Ų66.519%0.19434%0.338CS..SBendtrans-119.5108.6-177.6-167.80000106.7V437 M443 K728V437-V441 WeakPolarHBondContact O-CB 3.42Å; V437-V441 PolarHBondContact O-N 2.98Å; V441-M443 HydrophobicContact CB-CG 3.66Å; V441-M443 HydrophobicContact CB-SD 4.39Å; V441-M443 HydrophobicContact CG1-CG 3.54Å; V441-M443 HydrophobicContact CG1-SD 4.19Å; V441-M443 WeakPolarHBondContact O-CG 3.43Å; V441-M443 PolarHBondContact O-N 2.9Å; V441-K728 VanDerWaalsContact CG1-NZ 3.31Å
442D50.8Low77Confident162 Ų16266.9 Ų66.987%0.86634%0.34SS*.  trans-64.189.7172.8-159.7-0.7000108.6M444D442-M444 PolarHBondContact O-N 3.33Å
443M56.1Low76.9Confident39 Ų3966.6 Ų66.619%0.19234%0.339CS..  trans-92.779.3-166.1-72.4-138.167.300111.3Q395 V437 V441Q395-M443 PolarHBondContact NE2-O 3.27Å; V437-M443 HydrophobicContact CG1-SD 4.27Å; V441-M443 HydrophobicContact CB-CG 3.66Å; V441-M443 HydrophobicContact CB-SD 4.39Å; V441-M443 HydrophobicContact CG1-CG 3.54Å; V441-M443 HydrophobicContact CG1-SD 4.19Å; V441-M443 WeakPolarHBondContact O-CG 3.43Å; V441-M443 PolarHBondContact O-N 2.9Å
444M60.3Low76.8Confident169 Ų16965.7 Ų65.783%0.83334%0.337SS*.  trans-93.1101.3154.6-74.4-152.5175.600110.1D442D442-M444 PolarHBondContact O-N 3.33Å
445V68.3Low76.7Confident17 Ų1766.1 Ų66.110%0.10334%0.338CS..  trans-58.1125.5160.1176.90000107.3Q395 T449Q395-V445 HydrophobicContact CB-CG2 4.3Å; V445-T449 HydrophobicContact CG1-CG2 3.59Å
446P79.2Confident76.8Confident57 Ų5765.4 Ų65.437%0.3733%0.334SS..  trans-55142.5178.9-26.134.4000111.7T448 T449 S450P446-T448 PolarHBondContact O-N 3.48Å; P446-T449 WeakPolarHBondContact O-CA 3.39Å; P446-T449 VanDerWaalsContact O-CB 3.3Å; P446-T449 WeakPolarHBondContact O-CB 3.37Å; P446-T449 PolarHBondContact O-N 2.55Å; P446-S450 PolarHBondContact O-N 2.63Å
447N80Confident77Confident121 Ų12161.8 Ų61.865%0.64732%0.319SS*.Hα-helixtrans-56.1-36.9179.4-67.9-16000112.1T449 S450 E451N447-T449 PolarHBondContact O-N 2.87Å; N447-S450 WeakPolarHBondContact CA-OG 3.34Å; N447-S450 PolarHBondContact O-N 3.24Å; N447-S450 PolarHBondContact O-OG 3.47Å; N447-S450 VanDerWaalsContact O-OG 3.07Å; N447-E451 WeakPolarHBondContact O-CB 3.3Å; N447-E451 VanDerWaalsContact O-CG 3.26Å; N447-E451 WeakPolarHBondContact O-CG 3.42Å; N447-E451 PolarHBondContact O-N 3.06Å
448T84.7Confident77.5Confident63 Ų6362.1 Ų62.139%0.38732%0.32SS..Hα-helixtrans-56-39.1174.151.90000112.6P446 T452 E744P446-T448 PolarHBondContact O-N 3.48Å; T448-T452 VanDerWaalsContact O-CB 3.27Å; T448-T452 WeakPolarHBondContact O-CB 3.46Å; T448-T452 PolarHBondContact O-N 2.96Å; T448-T452 PolarHBondContact O-OG1 3.1Å; T448-E744 PolarHBondContact OG1-O 3.16Å
449T87.1Confident78.2Confident0 Ų060.9 Ų60.90%031%0.314CS..Hα-helixtrans-72.3-48.2177.2-60.80000110.5V445 P446 N447 E451 T452 L453 L745 L746 W777V445-T449 HydrophobicContact CG1-CG2 3.59Å; P446-T449 WeakPolarHBondContact O-CA 3.39Å; P446-T449 VanDerWaalsContact O-CB 3.3Å; P446-T449 WeakPolarHBondContact O-CB 3.37Å; P446-T449 PolarHBondContact O-N 2.55Å; N447-T449 PolarHBondContact O-N 2.87Å; T449-E451 VanDerWaalsContact C-N 3.3Å; T449-E451 PolarHBondContact O-N 2.81Å; T449-T452 PolarHBondContact O-N 2.85Å; T449-L453 WeakPolarHBondContact O-CB 3.47Å; T449-L453 PolarHBondContact O-N 2.87Å; T449-L745 WeakPolarHBondContact OG1-CA 3.28Å; T449-L746 WeakPolarHBondContact CG2-O 3.3Å; T449-L746 PolarHBondContact OG1-N 2.82Å; T449-L746 VanDerWaalsContact OG1-N 3.08Å; T449-W777 HydrophobicContact CG2-CH2 4.25Å; T449-W777 HydrophobicContact CG2-CZ3 4.03Å
450S82.9Confident79Confident42 Ų4254.5 Ų54.529%0.29429%0.285SS..Hα-helixtrans-67.4-29-176.368.20000113.6P446 N447P446-S450 PolarHBondContact O-N 2.63Å; N447-S450 WeakPolarHBondContact CA-OG 3.34Å; N447-S450 PolarHBondContact O-N 3.24Å; N447-S450 PolarHBondContact O-OG 3.47Å; N447-S450 VanDerWaalsContact O-OG 3.07Å
451E86.3Confident79.8Confident136 Ų13650 Ų5064%0.63627%0.265SS*.Hα-helixtrans-75.3-37.4174.1-71.7170.7-171.500112.5N447 T449N447-E451 WeakPolarHBondContact O-CB 3.3Å; N447-E451 VanDerWaalsContact O-CG 3.26Å; N447-E451 WeakPolarHBondContact O-CG 3.42Å; N447-E451 PolarHBondContact O-N 3.06Å; T449-E451 VanDerWaalsContact C-N 3.3Å; T449-E451 PolarHBondContact O-N 2.81Å
452T89.6Confident80.6Confident7 Ų751 Ų514%0.04327%0.269CS..Hα-helixtrans-85.3-35.2-175.9-53.10000112T448 T449 K454 W710 K743 L745 W777 Q778T448-T452 VanDerWaalsContact O-CB 3.27Å; T448-T452 WeakPolarHBondContact O-CB 3.46Å; T448-T452 PolarHBondContact O-N 2.96Å; T448-T452 PolarHBondContact O-OG1 3.1Å; T449-T452 PolarHBondContact O-N 2.85Å; T452-K454 PolarHBondContact O-N 2.83Å; T452-W710 HydrophobicContact CG2-CH2 4.21Å; T452-K743 PolarHBondContact OG1-NZ 2.97Å; T452-L745 HydrophobicContact CG2-CD1 3.98Å; T452-L745 HydrophobicContact CG2-CD2 4.25Å; T452-W777 HydrophobicContact CG2-CB 4.25Å; T452-W777 HydrophobicContact CG2-CE3 4.11Å; T452-Q778 WeakPolarHBondContact CG2-O 3.16Å; T452-Q778 PolarHBondContact O-N 2.87Å
453L90.6Very high82.1Confident3 Ų344.6 Ų44.62%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-73.8122.5179.9-176.564.8000110.8D396 K397 T449 K456 A775 W777D396-L453 WeakPolarHBondContact O-CD2 3.31Å; K397-L453 HydrophobicContact CB-CD2 4.36Å; K397-L453 HydrophobicContact CB-CG 4.32Å; K397-L453 HydrophobicContact CG-CD2 4.28Å; K397-L453 HydrophobicContact CG-CG 4.18Å; T449-L453 WeakPolarHBondContact O-CB 3.47Å; T449-L453 PolarHBondContact O-N 2.87Å; L453-K456 HydrophobicContact CD1-CG 4.36Å; L453-K456 HydrophobicContact CD2-CG 4.46Å; L453-A775 HydrophobicContact CD1-CB 3.82Å; L453-W777 HydrophobicContact CB-CE3 4Å; L453-W777 HydrophobicContact CB-CZ3 3.8Å; L453-W777 HydrophobicContact CD1-CD2 4.38Å; L453-W777 HydrophobicContact CD1-CE3 4.01Å; L453-W777 HydrophobicContact CD1-CH2 4.37Å; L453-W777 HydrophobicContact CD1-CZ3 3.98Å; L453-W777 HydrophobicContact CG-CZ3 4.41Å
454K89Confident83.3Confident72 Ų7244.5 Ų44.531%0.31324%0.241SC..EExtended strand (participates in β ladder)trans-94.9-44.8176.6-70.1-59.4-173.5-160.80113T452 Y762 I776 Q778T452-K454 PolarHBondContact O-N 2.83Å; K454-Y762 HydrophobicContact CG-CE1 4.17Å; K454-I776 PolarHBondContact N-O 3.15Å; K454-Q778 HydrophobicContact CD-CB 4.47Å; K454-Q778 VanDerWaalsContact CE-CD 3.44Å; K454-Q778 HydrophobicContact CG-CB 4.01Å
455H86.9Confident84.4Confident15 Ų1540.4 Ų40.47%0.06922%0.219CC..EExtended strand (participates in β ladder)trans-159153.7-171.1-157.172.2000111.4T11 P399 I776T11-H455 HydrophobicContact CG2-CB 4.36Å; P399-H455 VanDerWaalsContact CG-CE1 3.4Å; P399-H455 WeakPolarHBondContact CG-CE1 3.45Å; H455-I776 HydrophobicContact CB-CB 4.46Å; H455-I776 HydrophobicContact CB-CD1 4.12Å; H455-I776 PolarHBondContact O-N 2.65Å
456K89.4Confident85.4Confident13 Ų1341.6 Ų41.66%0.05723%0.227CC..EExtended strand (participates in β ladder)trans-121.1137166.9-76.6-176.7-179.4173.10110.5D396 K397 D398 L453 A747 I774 A775D396-K456 HydrophobicContact CB-CD 4.31Å; D396-K456 VanDerWaalsContact O-CD 3.25Å; D396-K456 WeakPolarHBondContact O-CD 3.34Å; D396-K456 WeakPolarHBondContact O-CG 3.44Å; D396-K456 IonicContact OD1-NZ 3.84Å; D396-K456 PolarHBondContact OD1-NZ 3.27Å; K397-K456 PolarHBondContact O-N 3.33Å; D398-K456 HydrophobicContact CB-CB 4.05Å; D398-K456 HydrophobicContact CB-CD 4.4Å; L453-K456 HydrophobicContact CD1-CG 4.36Å; L453-K456 HydrophobicContact CD2-CG 4.46Å; K456-A747 VanDerWaalsContact CE-O 3.23Å; K456-A747 WeakPolarHBondContact CE-O 3.46Å; K456-A747 PolarHBondContact NZ-O 3.07Å; K456-I774 CarbonylContact C-O 3.56Å; K456-I774 VanDerWaalsContact CA-O 3.25Å; K456-I774 WeakPolarHBondContact CA-O 3.34Å; K456-A775 HydrophobicContact CG-CB 4.23Å
457I90.2Very high86Confident8 Ų840.9 Ų40.94%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-119.5139.1178.6-53.1173.6000108.6P459 F504 W509 K773 I774 I776I457-P459 WeakPolarHBondContact O-CD 3.38Å; I457-F504 HydrophobicContact CG2-CD1 4.03Å; I457-F504 HydrophobicContact CG2-CE1 3.43Å; I457-F504 VanDerWaalsContact CG2-CE1 3.43Å; I457-F504 HydrophobicContact CG2-CE2 4.27Å; I457-F504 HydrophobicContact CG2-CZ 3.58Å; I457-W509 HydrophobicContact CD1-CB 3.72Å; I457-W509 HydrophobicContact CD1-CD2 3.88Å; I457-W509 HydrophobicContact CD1-CE3 3.54Å; I457-W509 HydrophobicContact CD1-CG 3.97Å; I457-W509 HydrophobicContact CD1-CZ3 4.41Å; I457-W509 HydrophobicContact CG1-CB 4.34Å; I457-K773 WeakPolarHBondContact O-CA 3.44Å; I457-I774 HydrophobicContact CB-CB 4.47Å; I457-I774 PolarHBondContact N-O 3.09Å; I457-I774 PolarHBondContact O-N 3.32Å; I457-I776 HydrophobicContact CD1-CD1 3.55Å; I457-I776 HydrophobicContact CG1-CD1 4.03Å
458N89.8Confident86.6Confident25 Ų2536.4 Ų36.413%0.13420%0.196CC..  trans-107.6105.1171.1-178.21.5000110.1Q400 S460 K773Q400-N458 VanDerWaalsContact CD-CB 3.46Å; Q400-N458 PolarHBondContact OE1-ND2 2.85Å; N458-S460 PolarHBondContact O-N 3.29Å; N458-S460 WeakPolarHBondContact OD1-CA 3.45Å; N458-S460 WeakPolarHBondContact OD1-CB 3.35Å; N458-S460 PolarHBondContact OD1-N 3.43Å; N458-K773 HydrophobicContact CB-CG 4.23Å
459P90.8Very high87.2Confident5 Ų533.4 Ų33.43%0.03218%0.178CC..THydrogen-bonded Turntrans-69.8-13.9175.730.6-36.8000113.9I457 V469 V494 L496 F504 G772 I774I457-P459 WeakPolarHBondContact O-CD 3.38Å; P459-V469 HydrophobicContact CG-CG2 3.9Å; P459-V494 HydrophobicContact CB-CG1 3.99Å; P459-V494 HydrophobicContact CG-CG1 4.17Å; P459-L496 HydrophobicContact CB-CD1 4.27Å; P459-L496 HydrophobicContact CB-CD2 3.92Å; P459-L496 HydrophobicContact CG-CD2 3.72Å; P459-F504 HydrophobicContact CB-CE2 4.07Å; P459-F504 HydrophobicContact CB-CZ 4.26Å; P459-G772 VanDerWaalsContact CD-O 3.31Å; P459-G772 WeakPolarHBondContact CD-O 3.41Å; P459-I774 HydrophobicContact CG-CD1 4.24Å; P459-I774 HydrophobicContact CG-CG1 4.45Å
460S87.8Confident87.5Confident5 Ų534.3 Ų34.34%0.03518%0.184CC..THydrogen-bonded Turntrans-99.918.1-179-52.90000113.2N458 D462 L463 Q467N458-S460 PolarHBondContact O-N 3.29Å; N458-S460 WeakPolarHBondContact OD1-CA 3.45Å; N458-S460 WeakPolarHBondContact OD1-CB 3.35Å; N458-S460 PolarHBondContact OD1-N 3.43Å; S460-D462 PolarHBondContact O-N 3.45Å; S460-D462 VanDerWaalsContact O-N 3.12Å; S460-L463 WeakPolarHBondContact O-CB 3.43Å; S460-L463 PolarHBondContact O-N 2.86Å; S460-Q467 PolarHBondContact OG-N 3.14Å
461L79.6Confident88.2Confident60 Ų6033 Ų3331%0.31417%0.174SC..THydrogen-bonded Turntrans-52.6-38.3-173.9-179.364.1000113.6
462D74.1Confident88.7Confident51 Ų5127 Ų2727%0.27315%0.146SC..THydrogen-bonded Turntrans-95.47.2-178-81.4-60.3000114.8K239 S460K239-D462 WeakPolarHBondContact CD-O 3.32Å; K239-D462 PolarHBondContact NZ-O 2.9Å; K239-D462 IonicContact NZ-OD1 2.78Å; K239-D462 PolarHBondContact NZ-OD1 2.83Å; S460-D462 PolarHBondContact O-N 3.45Å; S460-D462 VanDerWaalsContact O-N 3.12Å
463L80.9Confident88.9Confident29 Ų2927.9 Ų27.915%0.15215%0.15CC..SBendtrans-97.6158.1179.7-68.8178.3000111.9S460 E465 Q467 L496S460-L463 WeakPolarHBondContact O-CB 3.43Å; S460-L463 PolarHBondContact O-N 2.86Å; L463-E465 VanDerWaalsContact C-N 3.26Å; L463-E465 WeakPolarHBondContact CB-O 3.29Å; L463-E465 PolarHBondContact O-N 3.12Å; L463-Q467 VanDerWaalsContact CD1-CD 3.48Å; L463-Q467 HydrophobicContact CD1-CG 3.79Å; L463-L496 HydrophobicContact CD1-CD1 4.33Å
464A82.7Confident89.1Confident37 Ų3728.7 Ų28.731%0.30615%0.153SC..SBendtrans-66.6-31.717700000112.2Q233 K239 D240 V241Q233-A464 VanDerWaalsContact NE2-CB 3.33Å; K239-A464 WeakPolarHBondContact O-CA 3.46Å; D240-A464 WeakPolarHBondContact CA-O 3.32Å; V241-A464 HydrophobicContact CG2-CB 3.92Å; V241-A464 WeakPolarHBondContact CG2-O 3.48Å; V241-A464 PolarHBondContact N-O 2.69Å
465E83.4Confident89.1Confident82 Ų8226 Ų2638%0.38314%0.143SC..SBendtrans-141.8152.2-178-64.5-179.1155.400109.4V241 L463 R769V241-E465 HydrophobicContact CB-CG 4.04Å; V241-E465 HydrophobicContact CG2-CG 3.92Å; L463-E465 VanDerWaalsContact C-N 3.26Å; L463-E465 WeakPolarHBondContact CB-O 3.29Å; L463-E465 PolarHBondContact O-N 3.12Å; E465-R769 IonicContact OE2-CZ 2.67Å; E465-R769 IonicContact OE2-NH2 2.7Å; E465-R769 PolarHBondContact OE2-NH2 2.93Å
466P88.1Confident89.1Confident42 Ų4229.4 Ų29.427%0.27317%0.167SC..  trans-64.7143.8172.8-3.116.2000110.2R769P466-R769 WeakPolarHBondContact CB-O 3.28Å; P466-R769 WeakPolarHBondContact O-CG 3.07Å
467Q91.5Very high88.4Confident43 Ų4329.8 Ų29.820%0.20117%0.174CC..  trans-108.4152.5176.9-69.8-166.2-18.800110.7S460 L463 V469 L496 S497 G772S460-Q467 PolarHBondContact OG-N 3.14Å; L463-Q467 VanDerWaalsContact CD1-CD 3.48Å; L463-Q467 HydrophobicContact CD1-CG 3.79Å; Q467-V469 PolarHBondContact O-N 3.23Å; Q467-L496 HydrophobicContact CB-CB 3.95Å; Q467-L496 HydrophobicContact CB-CD1 4.33Å; Q467-L496 HydrophobicContact CB-CD2 4.39Å; Q467-L496 HydrophobicContact CB-CG 4.46Å; Q467-S497 WeakPolarHBondContact CB-OG 3.27Å; Q467-S497 VanDerWaalsContact CD-O 3.32Å; Q467-S497 PolarHBondContact NE2-O 3.45Å; Q467-S497 PolarHBondContact OE1-O 3.08Å; Q467-S497 VanDerWaalsContact OE1-O 3.07Å; Q467-G772 WeakPolarHBondContact O-CA 3.28Å
468T93.8Very high87.5Confident27 Ų2733.1 Ų33.117%0.16619%0.19CC..  trans-63.8132.6173.4-67.10000109.5C470 L496 S497 Q753 R769T468-C470 PolarHBondContact O-N 3.08Å; T468-C470 PolarHBondContact O-SG 3.2Å; T468-C470 VanDerWaalsContact O-SG 3.36Å; T468-L496 CarbonylContact O-C 3.59Å; T468-L496 VanDerWaalsContact O-CA 3.29Å; T468-L496 WeakPolarHBondContact O-CA 3.23Å; T468-S497 PolarHBondContact N-OG 2.99Å; T468-S497 PolarHBondContact O-N 2.78Å; T468-S497 VanDerWaalsContact O-N 3.09Å; T468-Q753 HydrophobicContact CG2-CG 3.79Å; T468-R769 PolarHBondContact OG1-N 2.96Å
469V96.1Very high85.8Confident0 Ų037.2 Ų37.20%021%0.211CC..EExtended strand (participates in β ladder)trans-81.399169.3-178.70000108.5P459 Q467 L472 V494 L496 Q753 T754 S767 I774P459-V469 HydrophobicContact CG-CG2 3.9Å; Q467-V469 PolarHBondContact O-N 3.23Å; V469-L472 HydrophobicContact CG1-CD1 4.4Å; V469-L472 HydrophobicContact CG1-CD2 3.75Å; V469-L472 HydrophobicContact CG1-CG 3.92Å; V469-V494 HydrophobicContact CG1-CG1 3.92Å; V469-L496 HydrophobicContact CG2-CD2 4.16Å; V469-Q753 WeakPolarHBondContact O-CB 3.37Å; V469-T754 HydrophobicContact CG1-CG2 3.98Å; V469-S767 PolarHBondContact N-O 3.13Å; V469-I774 HydrophobicContact CG1-CG1 4.2Å; V469-I774 HydrophobicContact CG2-CG1 4.09Å
470C94.9Very high83.8Confident19 Ų1946.6 Ų46.613%0.12825%0.246CC..EExtended strand (participates in β ladder)trans-79.9-46.7-170.8-55.60000112.2T468 A495 L496 S497 Q522T468-C470 PolarHBondContact O-N 3.08Å; T468-C470 PolarHBondContact O-SG 3.2Å; T468-C470 VanDerWaalsContact O-SG 3.36Å; C470-A495 HydrophobicContact CB-CB 4.38Å; C470-A495 PolarHBondContact N-O 3.17Å; C470-L496 VanDerWaalsContact SG-C 3.59Å; C470-S497 PolarHBondContact SG-N 2.69Å; C470-S497 VanDerWaalsContact SG-N 3.37Å; C470-Q522 HydrophobicContact CB-CG 4.04Å; C470-Q522 VanDerWaalsContact SG-CG 3.5Å; C470-Q522 PolarHBondContact SG-OE1 2.91Å
471V96.1Very high81.9Confident13 Ų1351.5 Ų51.58%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-143.3138.2-176.3-168.60000109.9A495 V523 T524 M526V471-A495 HydrophobicContact CB-CB 4.09Å; V471-A495 HydrophobicContact CG2-CB 4.4Å; V471-A495 PolarHBondContact O-N 2.96Å; V471-V523 HydrophobicContact CG2-CG1 4.4Å; V471-T524 VanDerWaalsContact CG2-C 3.43Å; V471-T524 WeakPolarHBondContact CG2-O 3.39Å; V471-M526 HydrophobicContact CB-CE 4.49Å; V471-M526 HydrophobicContact CB-CG 4.27Å; V471-M526 HydrophobicContact CG1-CB 3.91Å; V471-M526 HydrophobicContact CG1-CG 3.77Å; V471-M526 HydrophobicContact CG1-SD 4.4Å
472L97.1Very high80.5Confident11 Ų1159 Ų596%0.05830%0.301CS..EExtended strand (participates in β ladder)trans-117.4134.3172-68174.5000110V469 L492 W493 V494 T754 C756 L764 I774V469-L472 HydrophobicContact CG1-CD1 4.4Å; V469-L472 HydrophobicContact CG1-CD2 3.75Å; V469-L472 HydrophobicContact CG1-CG 3.92Å; L472-L492 HydrophobicContact CD2-CD1 4.33Å; L472-W493 WeakPolarHBondContact CA-O 3.46Å; L472-V494 HydrophobicContact CD2-CB 4.24Å; L472-V494 HydrophobicContact CD2-CG1 4Å; L472-V494 HydrophobicContact CD2-CG2 3.8Å; L472-T754 HydrophobicContact CB-CG2 4.24Å; L472-T754 HydrophobicContact CD1-CG2 3.85Å; L472-T754 HydrophobicContact CG-CG2 3.65Å; L472-C756 HydrophobicContact CB-CB 3.62Å; L472-C756 HydrophobicContact CD1-CB 4.49Å; L472-L764 HydrophobicContact CD1-CB 4.01Å; L472-I774 HydrophobicContact CD1-CG2 4.26Å; L472-I774 HydrophobicContact CD2-CD1 3.7Å; L472-I774 HydrophobicContact CD2-CG1 4.19Å
473L95.2Very high79.3Confident25 Ų2566 Ų6613%0.13133%0.329CS..EExtended strand (participates in β ladder)trans-135.2124.2171.5175.772.7000110.1T475 W493 M526 V534L473-T475 HydrophobicContact CD2-CG2 4.11Å; L473-T475 HydrophobicContact CG-CG2 4.28Å; L473-W493 HydrophobicContact CB-CB 4.22Å; L473-W493 PolarHBondContact N-O 3.06Å; L473-W493 PolarHBondContact O-N 2.93Å; L473-M526 HydrophobicContact CB-CB 3.99Å; L473-M526 HydrophobicContact CB-SD 4.05Å; L473-M526 HydrophobicContact CD2-CB 4.04Å; L473-V534 HydrophobicContact CD2-CB 4.37Å; L473-V534 HydrophobicContact CD2-CG1 3.57Å; L473-V534 HydrophobicContact CD2-CG2 3.88Å
474Y93.4Very high77.6Confident20 Ų2066.7 Ų66.78%0.07834%0.337CS..EExtended strand (participates in β ladder)trans-91.4131.1168.4177.4-93.2000109.9F4 P476 P490 A506 C756 A758 E759F4-Y474 WeakPolarHBondContact CZ-OH 3.49Å; Y474-P476 HydrophobicContact CE1-CB 4.05Å; Y474-P490 HydrophobicContact CE2-CB 3.85Å; Y474-P490 WeakPolarHBondContact OH-CB 3.38Å; Y474-A506 HydrophobicContact CD2-CB 4.15Å; Y474-A506 HydrophobicContact CE2-CB 3.71Å; Y474-C756 PolarHBondContact N-SG 3.03Å; Y474-A758 HydrophobicContact CD1-CB 4.24Å; Y474-A758 HydrophobicContact CD2-CB 3.6Å; Y474-A758 HydrophobicContact CE1-CB 4.47Å; Y474-A758 HydrophobicContact CE2-CB 3.85Å; Y474-A758 HydrophobicContact CG-CB 3.79Å; Y474-E759 HydrophobicContact CE1-CG 3.59Å; Y474-E759 PolarHBondContact OH-OE1 3.19Å
475T89.8Confident76Confident16 Ų1670.6 Ų70.610%0.09836%0.359CS..EExtended strand (participates in β ladder)trans-117123170.355.20000109.4L473 P490 K491 W493 V534L473-T475 HydrophobicContact CD2-CG2 4.11Å; L473-T475 HydrophobicContact CG-CG2 4.28Å; T475-P490 WeakPolarHBondContact O-CA 3.49Å; T475-K491 PolarHBondContact N-O 3.48Å; T475-K491 PolarHBondContact O-N 3.16Å; T475-K491 PolarHBondContact OG1-O 2.61Å; T475-W493 PolarHBondContact OG1-NE1 3.37Å; T475-W493 VanDerWaalsContact OG1-NE1 3.1Å; T475-V534 HydrophobicContact CG2-CG2 3.93Å
476P85.6Confident74.6Confident87 Ų8772 Ų7257%0.56537%0.368SS*.PPolyproline II helixtrans-64.7153.1-179.827.4-33.8000111.4Y474Y474-P476 HydrophobicContact CE1-CB 4.05Å
477G76.7Confident73.3Confident21 Ų2172.9 Ų72.922%0.21637%0.373CS..PPolyproline II helixtrans-83.4153.5174.500000111.8M488G477-M488 CarbonylContact C-O 3.56Å; G477-M488 WeakPolarHBondContact CA-O 3.07Å
478Q69.7Low72.3Confident77 Ų7771.7 Ų71.736%0.3637%0.368SS..PPolyproline II helixtrans-93.5116.6169.6-66.4-176.614.500109.6M488 D532Q478-M488 HydrophobicContact CB-CB 4.36Å; Q478-M488 HydrophobicContact CG-SD 4.49Å; Q478-M488 PolarHBondContact N-O 2.92Å; Q478-M488 PolarHBondContact O-N 3.27Å; Q478-D532 PolarHBondContact NE2-OD1 2.82Å; Q478-D532 VanDerWaalsContact NE2-OD1 3.07Å; Q478-D532 PolarHBondContact NE2-OD2 2.91Å
479L54.8Low71.7Confident112 Ų11273.1 Ų73.159%0.58637%0.374SS*.PPolyproline II helixtrans-70.7145168.1-74.3164.2000109.1H3 D481H3-L479 VanDerWaalsContact NE2-CD2 3.31Å; H3-L479 WeakPolarHBondContact NE2-CD2 3.01Å; L479-D481 PolarHBondContact O-N 3.28Å
480R49.4Very low71.3Confident202 Ų20273.1 Ų73.176%0.76237%0.374SS*.  trans-34.2102179.1-92-173.6-179.5-163.9-1111.8V487R480-V487 HydrophobicContact CG-CG2 3.72Å
481D47.3Very low71.1Confident107 Ų10773.1 Ų73.157%0.57237%0.372SS*.  trans-87.5149.1165.6-153-7000108.2L479 K483 S484L479-D481 PolarHBondContact O-N 3.28Å; D481-K483 PolarHBondContact O-N 2.93Å; D481-S484 PolarHBondContact O-N 2.83Å
482K49.1Very low71Confident217 Ų21772.5 Ų72.594%0.94337%0.368SS*.THydrogen-bonded Turntrans-61.3-7-175-71.5-178.3179.7176.80113.6
483K48.9Very low70.9Confident198 Ų19872 Ų7286%0.86137%0.365SS*.THydrogen-bonded Turntrans-106.7-15.2-175.8-64.3-178.2179.8177.60114.7D481D481-K483 PolarHBondContact O-N 2.93Å
484S46.9Very low71Confident45 Ų4570.8 Ų70.832%0.31536%0.359SS..  trans-131.4124.7176.767.50000111.3D481 I486D481-S484 PolarHBondContact O-N 2.83Å; S484-I486 PolarHBondContact O-N 3.18Å
485P49.1Very low71.1Confident118 Ų11869.8 Ų69.877%0.76636%0.355SS*.  trans-76.4-5.1-178.328.8-32.8000113.8
486I53.9Low71.3Confident112 Ų11269 Ų6957%0.57435%0.351SS*.PPolyproline II helixtrans-95117-172.6-57.5174.4000109.3S484S484-I486 PolarHBondContact O-N 3.18Å
487V60.6Low71.4Confident61 Ų6166.2 Ų66.237%0.3733%0.333SS..PPolyproline II helixtrans-78.1119.2169.5175.20000107.8R480R480-V487 HydrophobicContact CG-CG2 3.72Å
488M69.4Low71.4Confident18 Ų1867.1 Ų67.19%0.08934%0.342CS..PPolyproline II helixtrans-95.7118.4173.6-69.2179.979.800109.7G477 Q478 H549G477-M488 CarbonylContact C-O 3.56Å; G477-M488 WeakPolarHBondContact CA-O 3.07Å; Q478-M488 HydrophobicContact CB-CB 4.36Å; Q478-M488 HydrophobicContact CG-SD 4.49Å; Q478-M488 PolarHBondContact N-O 2.92Å; Q478-M488 PolarHBondContact O-N 3.27Å; M488-H549 WeakPolarHBondContact CE-NE2 3.49Å; M488-H549 PolarHBondContact SD-NE2 3.28Å
489N81.4Confident71.9Confident56 Ų5663.4 Ų63.430%0.29933%0.325SS..PPolyproline II helixtrans-69.7148169.9-74.1-15.3000110.6H3 K491 D505H3-N489 PolarHBondContact CE1-OD1 3.23Å; H3-N489 PolarHBondContact ND1-OD1 3.44Å; N489-K491 WeakPolarHBondContact O-CG 3.39Å; N489-D505 PolarHBondContact ND2-OD2 3.21Å
490P88.3Confident73.5Confident0 Ų061.4 Ų61.40%031%0.309CS..PPolyproline II helixtrans-62152.417229.1-35.9000110.4H3 Y474 T475 A506 A507H3-P490 HydrophobicContact CB-CG 4.24Å; Y474-P490 HydrophobicContact CE2-CB 3.85Å; Y474-P490 WeakPolarHBondContact OH-CB 3.38Å; T475-P490 WeakPolarHBondContact O-CA 3.49Å; P490-A506 HydrophobicContact CB-CB 4.08Å; P490-A506 HydrophobicContact CG-CB 4.15Å; P490-A506 PolarHBondContact O-N 2.96Å; P490-A507 HydrophobicContact CG-CB 4.28Å
491K91.1Very high75.5Confident19 Ų1951.8 Ų51.88%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-131.3146.8-174.9-48.8-169.9-175.998.30111.8T475 N489 V503 F504 L512 T548 M551T475-K491 PolarHBondContact N-O 3.48Å; T475-K491 PolarHBondContact O-N 3.16Å; T475-K491 PolarHBondContact OG1-O 2.61Å; N489-K491 WeakPolarHBondContact O-CG 3.39Å; K491-V503 HydrophobicContact CB-CG1 4.14Å; K491-V503 HydrophobicContact CD-CG1 4.16Å; K491-F504 WeakPolarHBondContact CA-O 3.3Å; K491-L512 HydrophobicContact CD-CD1 4.35Å; K491-L512 HydrophobicContact CG-CD1 4.49Å; K491-T548 PolarHBondContact NZ-O 3.37Å; K491-M551 HydrophobicContact CD-CE 3.18Å
492L94.1Very high77.7Confident0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-112118.7169.3177.269.1000108.8L472 V494 V503 F504 A506 W509 L764 I774L472-L492 HydrophobicContact CD2-CD1 4.33Å; L492-V494 HydrophobicContact CD2-CG2 4.15Å; L492-V494 HydrophobicContact CG-CG2 4Å; L492-V503 WeakPolarHBondContact O-CA 3.35Å; L492-F504 HydrophobicContact CB-CB 4.27Å; L492-F504 PolarHBondContact N-O 3.3Å; L492-F504 PolarHBondContact O-N 2.96Å; L492-A506 HydrophobicContact CB-CB 4.49Å; L492-W509 HydrophobicContact CD2-CZ3 4.21Å; L492-L764 HydrophobicContact CD1-CD2 3.78Å; L492-L764 HydrophobicContact CD2-CD2 3.45Å; L492-L764 VanDerWaalsContact CD2-CD2 3.45Å; L492-L764 HydrophobicContact CG-CD2 4.22Å; L492-I774 HydrophobicContact CD2-CD1 4.32Å
493W94.9Very high79.7Confident0 Ų036.4 Ų36.40%020%0.201CC..EExtended strand (participates in β ladder)trans-95.9130.8175.7-57.478.3000109.2L472 L473 T475 V501 V503 I516 M526 V534 M536 I546 T548 M551L472-W493 WeakPolarHBondContact CA-O 3.46Å; L473-W493 HydrophobicContact CB-CB 4.22Å; L473-W493 PolarHBondContact N-O 3.06Å; L473-W493 PolarHBondContact O-N 2.93Å; T475-W493 PolarHBondContact OG1-NE1 3.37Å; T475-W493 VanDerWaalsContact OG1-NE1 3.1Å; W493-V501 HydrophobicContact CE3-CG1 4.26Å; W493-V503 HydrophobicContact CD2-CG1 4.38Å; W493-V503 HydrophobicContact CD2-CG2 4.08Å; W493-V503 HydrophobicContact CE3-CG2 3.49Å; W493-V503 VanDerWaalsContact CE3-CG2 3.49Å; W493-V503 HydrophobicContact CH2-CG2 4.31Å; W493-V503 HydrophobicContact CZ3-CG2 3.63Å; W493-I516 HydrophobicContact CZ3-CD1 3.76Å; W493-M526 HydrophobicContact CB-SD 4.01Å; W493-V534 HydrophobicContact CD2-CG2 4.18Å; W493-V534 HydrophobicContact CZ2-CG2 3.95Å; W493-M536 HydrophobicContact CD2-CE 4.37Å; W493-M536 HydrophobicContact CE3-CE 3.56Å; W493-M536 HydrophobicContact CZ3-CE 3.98Å; W493-I546 HydrophobicContact CH2-CG2 3.69Å; W493-I546 HydrophobicContact CZ3-CG2 3.72Å; W493-T548 HydrophobicContact CZ2-CG2 3.82Å; W493-M551 HydrophobicContact CH2-CE 4.28Å; W493-M551 HydrophobicContact CH2-SD 3.29Å; W493-M551 WeakPolarHBondContact CH2-SD 3.45Å; W493-M551 HydrophobicContact CZ2-CE 4.24Å; W493-M551 HydrophobicContact CZ2-SD 3.82Å; W493-M551 HydrophobicContact CZ3-SD 4.01Å
494V96.4Very high81.7Confident0 Ų027.2 Ų27.20%016%0.161CC..EExtended strand (participates in β ladder)trans-128.5107.6-174.3-173.90000108.9P459 V469 L472 L492 L496 V501 V502 F504 I774P459-V494 HydrophobicContact CB-CG1 3.99Å; P459-V494 HydrophobicContact CG-CG1 4.17Å; V469-V494 HydrophobicContact CG1-CG1 3.92Å; L472-V494 HydrophobicContact CD2-CB 4.24Å; L472-V494 HydrophobicContact CD2-CG1 4Å; L472-V494 HydrophobicContact CD2-CG2 3.8Å; L492-V494 HydrophobicContact CD2-CG2 4.15Å; L492-V494 HydrophobicContact CG-CG2 4Å; V494-L496 HydrophobicContact CG1-CD2 3.89Å; V494-V501 CarbonylContact O-C 3.59Å; V494-V501 VanDerWaalsContact O-CA 3.3Å; V494-V501 WeakPolarHBondContact O-CA 3.23Å; V494-V502 HydrophobicContact CB-CB 4.49Å; V494-V502 PolarHBondContact N-O 3.09Å; V494-V502 PolarHBondContact O-N 3.34Å; V494-F504 HydrophobicContact CG2-CD2 3.86Å; V494-F504 HydrophobicContact CG2-CE2 4.01Å; V494-I774 HydrophobicContact CB-CD1 4.34Å; V494-I774 HydrophobicContact CG1-CD1 3.79Å; V494-I774 HydrophobicContact CG2-CD1 3.56Å
495A95.3Very high83.6Confident0 Ų025.8 Ų25.80%015%0.15CC..EExtended strand (participates in β ladder)trans-81.5130.6167.100000110.5C470 V471 V501 V523 M526C470-A495 HydrophobicContact CB-CB 4.38Å; C470-A495 PolarHBondContact N-O 3.17Å; V471-A495 HydrophobicContact CB-CB 4.09Å; V471-A495 HydrophobicContact CG2-CB 4.4Å; V471-A495 PolarHBondContact O-N 2.96Å; A495-V501 HydrophobicContact CB-CG2 4.29Å; A495-V523 HydrophobicContact CB-CB 3.72Å; A495-V523 HydrophobicContact CB-CG1 3.96Å; A495-V523 HydrophobicContact CB-CG2 4.46Å; A495-M526 HydrophobicContact CB-CE 3.34Å
496L93.5Very high85.4Confident0 Ų020.1 Ų20.10%011%0.114CC..EExtended strand (participates in β ladder)trans-105.8162.7172.8-56.5178.7000110.8P459 L463 Q467 T468 V469 C470 V494 G498 R500 V502P459-L496 HydrophobicContact CB-CD1 4.27Å; P459-L496 HydrophobicContact CB-CD2 3.92Å; P459-L496 HydrophobicContact CG-CD2 3.72Å; L463-L496 HydrophobicContact CD1-CD1 4.33Å; Q467-L496 HydrophobicContact CB-CB 3.95Å; Q467-L496 HydrophobicContact CB-CD1 4.33Å; Q467-L496 HydrophobicContact CB-CD2 4.39Å; Q467-L496 HydrophobicContact CB-CG 4.46Å; T468-L496 CarbonylContact O-C 3.59Å; T468-L496 VanDerWaalsContact O-CA 3.29Å; T468-L496 WeakPolarHBondContact O-CA 3.23Å; V469-L496 HydrophobicContact CG2-CD2 4.16Å; C470-L496 VanDerWaalsContact SG-C 3.59Å; V494-L496 HydrophobicContact CG1-CD2 3.89Å; L496-G498 PolarHBondContact O-N 3.15Å; L496-R500 PolarHBondContact N-O 3.46Å; L496-V502 HydrophobicContact CD1-CG2 3.8Å; L496-V502 HydrophobicContact CG-CG2 4.42Å
497S87.7Confident86.9Confident27 Ų2715.2 Ų15.219%0.1899%0.089CC..THydrogen-bonded Turntrans-58.6131.817355.10000111.2Q467 T468 C470Q467-S497 WeakPolarHBondContact CB-OG 3.27Å; Q467-S497 VanDerWaalsContact CD-O 3.32Å; Q467-S497 PolarHBondContact NE2-O 3.45Å; Q467-S497 PolarHBondContact OE1-O 3.08Å; Q467-S497 VanDerWaalsContact OE1-O 3.07Å; T468-S497 PolarHBondContact N-OG 2.99Å; T468-S497 PolarHBondContact O-N 2.78Å; T468-S497 VanDerWaalsContact O-N 3.09Å; C470-S497 PolarHBondContact SG-N 2.69Å; C470-S497 VanDerWaalsContact SG-N 3.37Å
498G78Confident87.8Confident40 Ų4013.3 Ų13.341%0.4128%0.079SC..THydrogen-bonded Turntrans96.424.4-179.700000115.4L496 R500 Q517L496-G498 PolarHBondContact O-N 3.15Å; G498-R500 PolarHBondContact O-N 3.25Å; G498-Q517 PolarHBondContact O-NE2 2.87Å; G498-Q517 VanDerWaalsContact O-NE2 3.17Å
499G79.9Confident88.6Confident0 Ų013.1 Ų13.10%08%0.077CC..THydrogen-bonded Turntrans73.512.4171.800000114.8Q517 T518 L521G499-Q517 PolarHBondContact O-NE2 2.61Å; G499-T518 PolarHBondContact O-N 3.05Å; G499-T518 PolarHBondContact O-OG1 2.94Å; G499-L521 WeakPolarHBondContact CA-O 3.06Å; G499-L521 PolarHBondContact N-O 3.32Å
500R88.8Confident88.6Confident69 Ų6912.2 Ų12.226%0.268%0.075SC..EExtended strand (participates in β ladder)trans-89.7135176.1177.4178-60.9-154.46.3110.4L496 G498 V502 C515L496-R500 PolarHBondContact N-O 3.46Å; G498-R500 PolarHBondContact O-N 3.25Å; R500-V502 HydrophobicContact CG-CG2 4.37Å; R500-C515 HydrophobicContact CG-CB 4.49Å
501V91.4Very high88.3Confident0 Ų014.2 Ų14.20%09%0.085CC..EExtended strand (participates in β ladder)trans-119.9131.5171.4-177.30000110.2W493 V494 A495 C515 I516 T518 V523 M526 M536W493-V501 HydrophobicContact CE3-CG1 4.26Å; V494-V501 CarbonylContact O-C 3.59Å; V494-V501 VanDerWaalsContact O-CA 3.3Å; V494-V501 WeakPolarHBondContact O-CA 3.23Å; A495-V501 HydrophobicContact CB-CG2 4.29Å; V501-C515 CarbonylContact O-C 3.55Å; V501-I516 HydrophobicContact CB-CB 4.25Å; V501-I516 PolarHBondContact N-O 2.89Å; V501-I516 PolarHBondContact O-N 3.34Å; V501-T518 HydrophobicContact CG2-CG2 4.19Å; V501-V523 HydrophobicContact CG2-CG2 4.23Å; V501-M526 HydrophobicContact CG1-CE 4.02Å; V501-M526 HydrophobicContact CG2-CE 3.99Å; V501-M536 HydrophobicContact CG1-CE 3.96Å; V501-M536 HydrophobicContact CG1-SD 4.39Å; V501-M536 HydrophobicContact CG2-CE 4.46Å; V501-M536 HydrophobicContact CG2-SD 3.81Å
502V92.1Very high87.8Confident1 Ų117.2 Ų17.21%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-111.6143.1176.7-1750000108.3V494 L496 R500 F504 M511 Q513V494-V502 HydrophobicContact CB-CB 4.49Å; V494-V502 PolarHBondContact N-O 3.09Å; V494-V502 PolarHBondContact O-N 3.34Å; L496-V502 HydrophobicContact CD1-CG2 3.8Å; L496-V502 HydrophobicContact CG-CG2 4.42Å; R500-V502 HydrophobicContact CG-CG2 4.37Å; V502-F504 HydrophobicContact CB-CE2 4.26Å; V502-F504 HydrophobicContact CG1-CD2 4.23Å; V502-F504 HydrophobicContact CG1-CE2 3.56Å; V502-F504 HydrophobicContact CG1-CZ 3.95Å; V502-M511 HydrophobicContact CG1-CE 3.87Å; V502-M511 HydrophobicContact CG1-CG 3.94Å; V502-M511 HydrophobicContact CG1-SD 4.13Å; V502-Q513 WeakPolarHBondContact CG1-O 3.49Å
503V91.4Very high87.1Confident0 Ų020.4 Ų20.40%012%0.117CC..EExtended strand (participates in β ladder)trans-121.4128.6-179.5-170.70000110.1K491 L492 W493 L512 Q513 I516 M551K491-V503 HydrophobicContact CB-CG1 4.14Å; K491-V503 HydrophobicContact CD-CG1 4.16Å; L492-V503 WeakPolarHBondContact O-CA 3.35Å; W493-V503 HydrophobicContact CD2-CG1 4.38Å; W493-V503 HydrophobicContact CD2-CG2 4.08Å; W493-V503 HydrophobicContact CE3-CG2 3.49Å; W493-V503 VanDerWaalsContact CE3-CG2 3.49Å; W493-V503 HydrophobicContact CH2-CG2 4.31Å; W493-V503 HydrophobicContact CZ3-CG2 3.63Å; V503-L512 PolarHBondContact O-N 3.34Å; V503-Q513 HydrophobicContact CB-CB 4.15Å; V503-Q513 HydrophobicContact CG2-CB 4.32Å; V503-Q513 PolarHBondContact N-O 3.28Å; V503-Q513 PolarHBondContact O-N 3.06Å; V503-I516 HydrophobicContact CG2-CD1 3.74Å; V503-M551 HydrophobicContact CG1-CE 4.31Å; V503-M551 HydrophobicContact CG1-SD 4.34Å; V503-M551 HydrophobicContact CG2-SD 4.33Å
504F90.8Very high86.1Confident6 Ų625 Ų253%0.02614%0.141CC..EExtended strand (participates in β ladder)trans-109.7145.5175.2-67.5-93.1000110.9I457 P459 K491 L492 V494 V502 A506 W509 S510 M511I457-F504 HydrophobicContact CG2-CD1 4.03Å; I457-F504 HydrophobicContact CG2-CE1 3.43Å; I457-F504 VanDerWaalsContact CG2-CE1 3.43Å; I457-F504 HydrophobicContact CG2-CE2 4.27Å; I457-F504 HydrophobicContact CG2-CZ 3.58Å; P459-F504 HydrophobicContact CB-CE2 4.07Å; P459-F504 HydrophobicContact CB-CZ 4.26Å; K491-F504 WeakPolarHBondContact CA-O 3.3Å; L492-F504 HydrophobicContact CB-CB 4.27Å; L492-F504 PolarHBondContact N-O 3.3Å; L492-F504 PolarHBondContact O-N 2.96Å; V494-F504 HydrophobicContact CG2-CD2 3.86Å; V494-F504 HydrophobicContact CG2-CE2 4.01Å; V502-F504 HydrophobicContact CB-CE2 4.26Å; V502-F504 HydrophobicContact CG1-CD2 4.23Å; V502-F504 HydrophobicContact CG1-CE2 3.56Å; V502-F504 HydrophobicContact CG1-CZ 3.95Å; F504-A506 PolarHBondContact O-N 2.95Å; F504-W509 WeakPolarHBondContact CD1-O 3.39Å; F504-S510 WeakPolarHBondContact CA-O 3.35Å; F504-M511 HydrophobicContact CD1-CB 4.18Å; F504-M511 HydrophobicContact CE1-CB 3.92Å; F504-M511 HydrophobicContact CE1-CE 4.23Å; F504-M511 HydrophobicContact CE1-CG 4.38Å; F504-M511 HydrophobicContact CZ-CE 3.93Å
505D87.6Confident85.3Confident14 Ų1426.7 Ų26.78%0.07515%0.153CC..EExtended strand (participates in β ladder)trans-69.8115.8162-172.8-31.3000107N489 A507 S508 W509 S510 L512N489-D505 PolarHBondContact ND2-OD2 3.21Å; D505-A507 PolarHBondContact O-N 3.38Å; D505-A507 WeakPolarHBondContact OD1-CA 3.44Å; D505-A507 VanDerWaalsContact OD1-CB 3.27Å; D505-A507 WeakPolarHBondContact OD1-CB 3.42Å; D505-A507 PolarHBondContact OD1-N 3.37Å; D505-S508 WeakPolarHBondContact CB-OG 3.48Å; D505-S508 PolarHBondContact O-N 2.87Å; D505-W509 WeakPolarHBondContact O-CA 3.45Å; D505-W509 PolarHBondContact O-N 3.15Å; D505-S510 PolarHBondContact N-O 3.46Å; D505-L512 HydrophobicContact CB-CD1 3.81Å; D505-L512 HydrophobicContact CB-CD2 4Å; D505-L512 HydrophobicContact CB-CG 3.8Å
506A87.7Confident84.7Confident0 Ų027.3 Ų27.30%016%0.156CC..THydrogen-bonded Turntrans-76.1-10.4-178.100000112.6M7 Y474 P490 L492 F504 W509M7-A506 WeakPolarHBondContact CE-O 3.22Å; Y474-A506 HydrophobicContact CD2-CB 4.15Å; Y474-A506 HydrophobicContact CE2-CB 3.71Å; P490-A506 HydrophobicContact CB-CB 4.08Å; P490-A506 HydrophobicContact CG-CB 4.15Å; P490-A506 PolarHBondContact O-N 2.96Å; L492-A506 HydrophobicContact CB-CB 4.49Å; F504-A506 PolarHBondContact O-N 2.95Å; A506-W509 HydrophobicContact CB-CH2 4.29Å; A506-W509 HydrophobicContact CB-CZ3 3.95Å
507A83.6Confident84.1Confident8 Ų832 Ų327%0.06618%0.178CC..THydrogen-bonded Turntrans-83.7-30.3173.400000112.4M7 P490 D505M7-A507 WeakPolarHBondContact CA-O 3.45Å; P490-A507 HydrophobicContact CG-CB 4.28Å; D505-A507 PolarHBondContact O-N 3.38Å; D505-A507 WeakPolarHBondContact OD1-CA 3.44Å; D505-A507 VanDerWaalsContact OD1-CB 3.27Å; D505-A507 WeakPolarHBondContact OD1-CB 3.42Å; D505-A507 PolarHBondContact OD1-N 3.37Å
508S81.1Confident83.8Confident22 Ų2230.8 Ų30.815%0.15417%0.169CC..THydrogen-bonded Turntrans-113.8-14.1178.953.30000114.1D505 S510D505-S508 WeakPolarHBondContact CB-OG 3.48Å; D505-S508 PolarHBondContact O-N 2.87Å; S508-S510 PolarHBondContact O-N 3.18Å; S508-S510 PolarHBondContact OG-N 3.11Å; S508-S510 PolarHBondContact OG-OG 3.2Å
509W84.6Confident83.5Confident14 Ų1429.9 Ų29.95%0.05316%0.159CC..  trans61.615.2-168.1-50.3116.3000114.5M7 I457 L492 F504 D505 A506 L764 I776M7-W509 HydrophobicContact CE-CH2 4.15Å; M7-W509 HydrophobicContact CE-CZ2 3.71Å; M7-W509 HydrophobicContact CG-CZ2 4.23Å; M7-W509 HydrophobicContact SD-CZ2 3.62Å; I457-W509 HydrophobicContact CD1-CB 3.72Å; I457-W509 HydrophobicContact CD1-CD2 3.88Å; I457-W509 HydrophobicContact CD1-CE3 3.54Å; I457-W509 HydrophobicContact CD1-CG 3.97Å; I457-W509 HydrophobicContact CD1-CZ3 4.41Å; I457-W509 HydrophobicContact CG1-CB 4.34Å; L492-W509 HydrophobicContact CD2-CZ3 4.21Å; F504-W509 WeakPolarHBondContact CD1-O 3.39Å; D505-W509 WeakPolarHBondContact O-CA 3.45Å; D505-W509 PolarHBondContact O-N 3.15Å; A506-W509 HydrophobicContact CB-CH2 4.29Å; A506-W509 HydrophobicContact CB-CZ3 3.95Å; W509-L764 HydrophobicContact CH2-CD2 4.29Å; W509-L764 HydrophobicContact CZ3-CD2 4.15Å; W509-I776 HydrophobicContact CD2-CD1 3.59Å; W509-I776 HydrophobicContact CE3-CD1 3.71Å; W509-I776 HydrophobicContact CG-CD1 4.24Å; W509-I776 HydrophobicContact CH2-CD1 3.77Å; W509-I776 HydrophobicContact CH2-CG1 4.4Å; W509-I776 HydrophobicContact CH2-CG2 4.46Å; W509-I776 HydrophobicContact CZ2-CD1 3.65Å; W509-I776 HydrophobicContact CZ2-CG1 4.48Å; W509-I776 HydrophobicContact CZ2-CG2 4.12Å; W509-I776 HydrophobicContact CZ3-CD1 3.8Å
510S81.9Confident83.2Confident36 Ų3635.5 Ų35.525%0.25219%0.186SC..  trans-80.4142.1173.461.10000111.1F504 D505 S508 L512F504-S510 WeakPolarHBondContact CA-O 3.35Å; D505-S510 PolarHBondContact N-O 3.46Å; S508-S510 PolarHBondContact O-N 3.18Å; S508-S510 PolarHBondContact OG-N 3.11Å; S508-S510 PolarHBondContact OG-OG 3.2Å; S510-L512 PolarHBondContact O-N 3.4Å
511M82.7Confident83Confident42 Ų4236.2 Ų36.221%0.20720%0.195CC..EExtended strand (participates in β ladder)trans-65.6126.7174.4-168.4-179.8-72.400110V502 F504 D514V502-M511 HydrophobicContact CG1-CE 3.87Å; V502-M511 HydrophobicContact CG1-CG 3.94Å; V502-M511 HydrophobicContact CG1-SD 4.13Å; F504-M511 HydrophobicContact CD1-CB 4.18Å; F504-M511 HydrophobicContact CE1-CB 3.92Å; F504-M511 HydrophobicContact CE1-CE 4.23Å; F504-M511 HydrophobicContact CE1-CG 4.38Å; F504-M511 HydrophobicContact CZ-CE 3.93Å; M511-D514 HydrophobicContact SD-CB 3.79Å
512L81.4Confident82.9Confident83 Ų8339 Ų3944%0.43521%0.208SC..EExtended strand (participates in β ladder)trans-96.2-39.6175.7-70.1175.8000111.8K491 V503 D505 S510K491-L512 HydrophobicContact CD-CD1 4.35Å; K491-L512 HydrophobicContact CG-CD1 4.49Å; V503-L512 PolarHBondContact O-N 3.34Å; D505-L512 HydrophobicContact CB-CD1 3.81Å; D505-L512 HydrophobicContact CB-CD2 4Å; D505-L512 HydrophobicContact CB-CG 3.8Å; S510-L512 PolarHBondContact O-N 3.4Å
513Q78.9Confident83Confident67 Ų6739 Ų3931%0.31321%0.207SC..EExtended strand (participates in β ladder)trans-138.1124.5179.2-173.564.230.200108.5V502 V503 C515 I516V502-Q513 WeakPolarHBondContact CG1-O 3.49Å; V503-Q513 HydrophobicContact CB-CB 4.15Å; V503-Q513 HydrophobicContact CG2-CB 4.32Å; V503-Q513 PolarHBondContact N-O 3.28Å; V503-Q513 PolarHBondContact O-N 3.06Å; Q513-C515 PolarHBondContact NE2-O 3.29Å; Q513-C515 VanDerWaalsContact NE2-O 3.17Å; Q513-I516 HydrophobicContact CG-CD1 4.26Å; Q513-I516 HydrophobicContact CG-CG1 3.68Å
514D74.4Confident83.2Confident96 Ų9640.7 Ų40.751%0.51322%0.218SC..EExtended strand (participates in β ladder)trans-80.9-24.7-174.966.3-20.7000113.4M511M511-D514 HydrophobicContact SD-CB 3.79Å
515C79.1Confident83.4Confident36 Ų3641.1 Ų41.124%0.24322%0.221CC..EExtended strand (participates in β ladder)trans-160.4122.5177.2-170.30000112R500 V501 Q513R500-C515 HydrophobicContact CG-CB 4.49Å; V501-C515 CarbonylContact O-C 3.55Å; Q513-C515 PolarHBondContact NE2-O 3.29Å; Q513-C515 VanDerWaalsContact NE2-O 3.17Å
516I82.1Confident83.8Confident12 Ų1241.5 Ų41.56%0.06222%0.223CC..EExtended strand (participates in β ladder)trans-112.7114157-55.6172.7000105.8W493 V501 V503 Q513 T518 I546 M551W493-I516 HydrophobicContact CZ3-CD1 3.76Å; V501-I516 HydrophobicContact CB-CB 4.25Å; V501-I516 PolarHBondContact N-O 2.89Å; V501-I516 PolarHBondContact O-N 3.34Å; V503-I516 HydrophobicContact CG2-CD1 3.74Å; Q513-I516 HydrophobicContact CG-CD1 4.26Å; Q513-I516 HydrophobicContact CG-CG1 3.68Å; I516-T518 HydrophobicContact CG2-CG2 4.39Å; I516-T518 PolarHBondContact O-N 3.23Å; I516-I546 HydrophobicContact CG2-CD1 3.92Å; I516-M551 HydrophobicContact CD1-CB 4.17Å
517Q81.6Confident84Confident100 Ų10042.1 Ų42.147%0.46723%0.226SC..EExtended strand (participates in β ladder)trans-86.3111.4-179.5-166.568.238.800109.8G498 G499 G519G498-Q517 PolarHBondContact O-NE2 2.87Å; G498-Q517 VanDerWaalsContact O-NE2 3.17Å; G499-Q517 PolarHBondContact O-NE2 2.61Å; Q517-G519 WeakPolarHBondContact CG-O 3.09Å; Q517-G519 PolarHBondContact NE2-O 3.33Å
518T79.9Confident84Confident0 Ų043.2 Ų43.20%024%0.238CC..  trans-105.487.1175.253.10000109.1G499 V501 I516 V523 M536 Y544 I546G499-T518 PolarHBondContact O-N 3.05Å; G499-T518 PolarHBondContact O-OG1 2.94Å; V501-T518 HydrophobicContact CG2-CG2 4.19Å; I516-T518 HydrophobicContact CG2-CG2 4.39Å; I516-T518 PolarHBondContact O-N 3.23Å; T518-V523 WeakPolarHBondContact OG1-CG2 3.34Å; T518-M536 HydrophobicContact CG2-SD 3.99Å; T518-Y544 HydrophobicContact CG2-CD1 4.49Å; T518-Y544 HydrophobicContact CG2-CD2 4.46Å; T518-Y544 HydrophobicContact CG2-CG 4.13Å; T518-I546 HydrophobicContact CG2-CD1 3.83Å
519G72.8Confident83.5Confident21 Ų2143 Ų4322%0.21624%0.236CC..  trans63.7-158.9-174.600000112.2Q517 Y544Q517-G519 WeakPolarHBondContact CG-O 3.09Å; Q517-G519 PolarHBondContact NE2-O 3.33Å; G519-Y544 WeakPolarHBondContact CA-OH 3.24Å; G519-Y544 PolarHBondContact N-OH 2.98Å
520E73.2Confident82.2Confident118 Ų11847.6 Ų47.655%0.55126%0.264SS*.SBendtrans-115.8-14.7-180-65.7167.3134.900112.6K204K204-E520 WeakPolarHBondContact CD-OE1 3.27Å; K204-E520 VanDerWaalsContact CE-OE1 3.29Å; K204-E520 WeakPolarHBondContact CE-OE1 3.44Å; K204-E520 WeakPolarHBondContact CE-OE2 3.49Å; K204-E520 IonicContact NZ-OE1 2.7Å; K204-E520 PolarHBondContact NZ-OE1 3.16Å; K204-E520 IonicContact NZ-OE2 2.71Å; K204-E520 PolarHBondContact NZ-OE2 2.89Å
521L84.4Confident81.2Confident85 Ų8551.1 Ų51.145%0.44528%0.277SS..SBendtrans-97.5166.4178.8-59.3-175.6000111.2G499 Q539 D540G499-L521 WeakPolarHBondContact CA-O 3.06Å; G499-L521 PolarHBondContact N-O 3.32Å; L521-Q539 HydrophobicContact CB-CB 3.68Å; L521-Q539 HydrophobicContact CD1-CB 4.19Å; L521-D540 HydrophobicContact CB-CB 4.32Å; L521-D540 HydrophobicContact CD1-CB 4.03Å; L521-D540 HydrophobicContact CG-CB 4.39Å
522Q90.4Very high80.8Confident59 Ų5951.4 Ų51.428%0.27628%0.279SS..PPolyproline II helixtrans-70.6132.7-170.3-167.9177.5-84.700112C470 T524 Q539C470-Q522 HydrophobicContact CB-CG 4.04Å; C470-Q522 VanDerWaalsContact SG-CG 3.5Å; C470-Q522 PolarHBondContact SG-OE1 2.91Å; Q522-T524 PolarHBondContact O-N 3.21Å; Q522-Q539 PolarHBondContact O-N 2.89Å
523V94.5Very high81Confident0 Ų049.3 Ų49.30%027%0.267CS..EExtended strand (participates in β ladder)trans-67.8127165.4174.90000108.7V471 A495 V501 T518 M526 M536 G537V471-V523 HydrophobicContact CG2-CG1 4.4Å; A495-V523 HydrophobicContact CB-CB 3.72Å; A495-V523 HydrophobicContact CB-CG1 3.96Å; A495-V523 HydrophobicContact CB-CG2 4.46Å; V501-V523 HydrophobicContact CG2-CG2 4.23Å; T518-V523 WeakPolarHBondContact OG1-CG2 3.34Å; V523-M526 HydrophobicContact CG1-CE 3.86Å; V523-M526 HydrophobicContact CG1-CG 4.04Å; V523-M536 HydrophobicContact CG1-CB 4.04Å; V523-G537 WeakPolarHBondContact CA-O 3.23Å; V523-G537 WeakPolarHBondContact CG1-O 3.25Å
524T94.8Very high81.6Confident35 Ų3546.1 Ų46.122%0.21525%0.252CS..EExtended strand (participates in β ladder)trans-103.1-29.8-172.354.80000112.7V471 Q522 G537 Q539 E563 V564V471-T524 VanDerWaalsContact CG2-C 3.43Å; V471-T524 WeakPolarHBondContact CG2-O 3.39Å; Q522-T524 PolarHBondContact O-N 3.21Å; T524-G537 PolarHBondContact N-O 2.61Å; T524-G537 PolarHBondContact OG1-O 2.69Å; T524-G537 VanDerWaalsContact OG1-O 3.06Å; T524-Q539 HydrophobicContact CG2-CG 3.72Å; T524-E563 HydrophobicContact CG2-CG 3.98Å; T524-E563 VanDerWaalsContact CG2-OE1 3.28Å; T524-E563 WeakPolarHBondContact CG2-OE1 3.28Å; T524-V564 WeakPolarHBondContact CB-O 3.48Å; T524-V564 PolarHBondContact OG1-O 2.82Å
525C94.9Very high82.5Confident15 Ų1541.6 Ų41.610%0.10123%0.228CC..EExtended strand (participates in β ladder)trans-152.9151.3-177.255.90000111M536 G537C525-M536 WeakPolarHBondContact O-CA 3.4Å; C525-G537 PolarHBondContact O-N 3.39Å
526M95.5Very high83.3Confident22 Ų2239.9 Ų39.911%0.10822%0.216CC..EExtended strand (participates in β ladder)trans-135.8151.6176.2-66-170.2-174.100110.5V471 L473 W493 A495 V501 V523 W535 M536V471-M526 HydrophobicContact CB-CE 4.49Å; V471-M526 HydrophobicContact CB-CG 4.27Å; V471-M526 HydrophobicContact CG1-CB 3.91Å; V471-M526 HydrophobicContact CG1-CG 3.77Å; V471-M526 HydrophobicContact CG1-SD 4.4Å; L473-M526 HydrophobicContact CB-CB 3.99Å; L473-M526 HydrophobicContact CB-SD 4.05Å; L473-M526 HydrophobicContact CD2-CB 4.04Å; W493-M526 HydrophobicContact CB-SD 4.01Å; A495-M526 HydrophobicContact CB-CE 3.34Å; V501-M526 HydrophobicContact CG1-CE 4.02Å; V501-M526 HydrophobicContact CG2-CE 3.99Å; V523-M526 HydrophobicContact CG1-CE 3.86Å; V523-M526 HydrophobicContact CG1-CG 4.04Å; M526-W535 CarbonylContact C-O 3.56Å; M526-W535 VanDerWaalsContact CA-O 3.29Å; M526-W535 WeakPolarHBondContact CA-O 3.43Å; M526-M536 HydrophobicContact CE-CE 3.92Å; M526-M536 HydrophobicContact CE-CG 4.36Å; M526-M536 HydrophobicContact CE-SD 3.72Å; M526-M536 HydrophobicContact CG-CB 4.42Å; M526-M536 HydrophobicContact CG-CG 3.97Å; M526-M536 HydrophobicContact SD-CE 3.96Å; M526-M536 HydrophobicContact SD-CG 4.35Å; M526-M536 HydrophobicContact SD-SD 4.26Å
527M91.8Very high83.9Confident13 Ų1339.3 Ų39.36%0.06421%0.213CC..EExtended strand (participates in β ladder)trans-146.2128176.2-179.1178.765.200110.1L529 W535 L567 V569 A580M527-L529 HydrophobicContact CE-CD1 4.46Å; M527-L529 HydrophobicContact CE-CD2 3.83Å; M527-L529 HydrophobicContact CE-CG 4.2Å; M527-L529 HydrophobicContact SD-CD2 4.32Å; M527-W535 HydrophobicContact CE-CB 4.44Å; M527-W535 HydrophobicContact CE-CD2 4.37Å; M527-W535 HydrophobicContact CE-CE3 4.16Å; M527-W535 PolarHBondContact N-O 3.09Å; M527-W535 PolarHBondContact O-N 3.37Å; M527-L567 HydrophobicContact CB-CB 3.84Å; M527-L567 HydrophobicContact CB-CD1 4.28Å; M527-L567 HydrophobicContact CE-CB 4.33Å; M527-L567 HydrophobicContact SD-CB 4.24Å; M527-V569 HydrophobicContact SD-CB 3.74Å; M527-V569 HydrophobicContact SD-CG1 4.24Å; M527-V569 PolarHBondContact SD-N 3.22Å; M527-V569 VanDerWaalsContact SD-N 3.35Å; M527-A580 HydrophobicContact CE-CB 3.92Å
528G85.1Confident84.5Confident32 Ų3234.5 Ų34.533%0.3319%0.191SC..EExtended strand (participates in β ladder)trans-85.5136.717000000110.8
529L70.3Confident85.2Confident18 Ų1837.9 Ų37.99%0.09421%0.207CC..EExtended strand (participates in β ladder)trans-113.3157.7174.9-68.2178.7000111.3M527 H531 D532 Q533 W535 V569M527-L529 HydrophobicContact CE-CD1 4.46Å; M527-L529 HydrophobicContact CE-CD2 3.83Å; M527-L529 HydrophobicContact CE-CG 4.2Å; M527-L529 HydrophobicContact SD-CD2 4.32Å; L529-H531 PolarHBondContact O-N 2.81Å; L529-D532 PolarHBondContact O-N 2.83Å; L529-Q533 PolarHBondContact N-O 3.41Å; L529-W535 HydrophobicContact CD1-CD2 4.01Å; L529-W535 VanDerWaalsContact CD1-CE2 3.45Å; L529-W535 HydrophobicContact CD1-CG 4.16Å; L529-W535 HydrophobicContact CD1-CZ2 3.82Å; L529-W535 VanDerWaalsContact CD1-NE1 3.32Å; L529-V569 HydrophobicContact CD2-CB 4.14Å; L529-V569 HydrophobicContact CD2-CG2 3.92Å
530V57.4Low86Confident109 Ų10938.9 Ų38.966%0.66121%0.207SC*.THydrogen-bonded Turntrans-67.8-7.1-175.2176.20000113.5
531H61Low86.9Confident111 Ų11134.4 Ų34.451%0.51419%0.189SC..THydrogen-bonded Turntrans-102.634.7179.3-58.892.4000113.2L529 Q533L529-H531 PolarHBondContact O-N 2.81Å; H531-Q533 PolarHBondContact O-N 3.24Å; H531-Q533 VanDerWaalsContact O-N 3.15Å
532D74.5Confident87.2Confident47 Ų4731.3 Ų31.325%0.25117%0.173SC..THydrogen-bonded Turntrans57.632.1176.4-62.5-40.6000114.1Q478 L529 T548 H549Q478-D532 PolarHBondContact NE2-OD1 2.82Å; Q478-D532 VanDerWaalsContact NE2-OD1 3.07Å; Q478-D532 PolarHBondContact NE2-OD2 2.91Å; L529-D532 PolarHBondContact O-N 2.83Å; D532-T548 VanDerWaalsContact C-OG1 3.31Å; D532-T548 WeakPolarHBondContact CA-OG1 3.44Å; D532-T548 WeakPolarHBondContact CB-OG1 3.44Å; D532-T548 VanDerWaalsContact O-CB 3.31Å; D532-T548 WeakPolarHBondContact O-CB 3.38Å; D532-T548 WeakPolarHBondContact O-CG2 3.47Å; D532-T548 PolarHBondContact O-N 3.38Å; D532-T548 PolarHBondContact O-OG1 3.03Å; D532-H549 VanDerWaalsContact CG-CE1 3.5Å; D532-H549 IonicContact OD2-CE1 3.08Å; D532-H549 PolarHBondContact OD2-CE1 3.07Å
533Q85.5Confident87.4Confident40 Ų4028.5 Ų28.519%0.18716%0.16CC..EExtended strand (participates in β ladder)trans-121.3146176.8-72174.411.300111.5L529 H531 I545 I546L529-Q533 PolarHBondContact N-O 3.41Å; H531-Q533 PolarHBondContact O-N 3.24Å; H531-Q533 VanDerWaalsContact O-N 3.15Å; Q533-I545 HydrophobicContact CB-CG2 4.17Å; Q533-I545 HydrophobicContact CG-CG2 4.11Å; Q533-I546 CarbonylContact C-O 3.5Å; Q533-I546 WeakPolarHBondContact CA-O 3.46Å
534V91.4Very high87.2Confident0 Ų029.2 Ų29.20%016%0.163CC..EExtended strand (participates in β ladder)trans-113.2126168.7175.10000108.8L473 T475 W493 M536 I546 T548L473-V534 HydrophobicContact CD2-CB 4.37Å; L473-V534 HydrophobicContact CD2-CG1 3.57Å; L473-V534 HydrophobicContact CD2-CG2 3.88Å; T475-V534 HydrophobicContact CG2-CG2 3.93Å; W493-V534 HydrophobicContact CD2-CG2 4.18Å; W493-V534 HydrophobicContact CZ2-CG2 3.95Å; V534-M536 HydrophobicContact CB-CE 4.29Å; V534-M536 HydrophobicContact CG1-CE 3.52Å; V534-M536 HydrophobicContact CG1-CG 3.92Å; V534-I546 PolarHBondContact N-O 3.33Å; V534-I546 PolarHBondContact O-N 3.15Å; V534-T548 HydrophobicContact CG2-CG2 3.75Å
535W93.2Very high87Confident0 Ų027.7 Ų27.70%015%0.154CC..EExtended strand (participates in β ladder)trans-97.1134.2172.6-71.626.8000109M526 M527 L529 I543 Y544 I545 L557 L567 A580 W592 L597M526-W535 CarbonylContact C-O 3.56Å; M526-W535 VanDerWaalsContact CA-O 3.29Å; M526-W535 WeakPolarHBondContact CA-O 3.43Å; M527-W535 HydrophobicContact CE-CB 4.44Å; M527-W535 HydrophobicContact CE-CD2 4.37Å; M527-W535 HydrophobicContact CE-CE3 4.16Å; M527-W535 PolarHBondContact N-O 3.09Å; M527-W535 PolarHBondContact O-N 3.37Å; L529-W535 HydrophobicContact CD1-CD2 4.01Å; L529-W535 VanDerWaalsContact CD1-CE2 3.45Å; L529-W535 HydrophobicContact CD1-CG 4.16Å; L529-W535 HydrophobicContact CD1-CZ2 3.82Å; L529-W535 VanDerWaalsContact CD1-NE1 3.32Å; W535-I543 HydrophobicContact CB-CG2 4.17Å; W535-I543 HydrophobicContact CD2-CG2 4.42Å; W535-I543 HydrophobicContact CE3-CG2 4.07Å; W535-I543 HydrophobicContact CG-CG2 4.5Å; W535-Y544 CarbonylContact C-O 3.56Å; W535-Y544 WeakPolarHBondContact CA-O 3.34Å; W535-I545 HydrophobicContact CD2-CD1 4.42Å; W535-I545 HydrophobicContact CD2-CG1 4.29Å; W535-I545 HydrophobicContact CG-CG1 4.16Å; W535-I545 HydrophobicContact CZ2-CD1 4.16Å; W535-L557 HydrophobicContact CE3-CD1 4.32Å; W535-L557 HydrophobicContact CH2-CD1 4.02Å; W535-L557 HydrophobicContact CZ3-CD1 3.85Å; W535-L567 HydrophobicContact CB-CD1 4.05Å; W535-L567 HydrophobicContact CE3-CD2 4.49Å; W535-A580 HydrophobicContact CH2-CB 4.07Å; W535-A580 HydrophobicContact CZ3-CB 3.89Å; W535-W592 HydrophobicContact CH2-CB 3.96Å; W535-W592 HydrophobicContact CH2-CG 4.24Å; W535-W592 HydrophobicContact CZ3-CB 4.13Å; W535-W592 HydrophobicContact CZ3-CD2 4.45Å; W535-W592 AromaticContact CZ3-CG 3.98Å; W535-W592 HydrophobicContact CZ3-CG 3.98Å; W535-L597 HydrophobicContact CH2-CD2 3.94Å; W535-L597 HydrophobicContact CZ2-CD2 3.31Å
536M94.7Very high86.7Confident0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-128.7115.8-178-53.1-170.6179.100109.6W493 V501 T518 V523 C525 M526 V534 I543 Y544 I546W493-M536 HydrophobicContact CD2-CE 4.37Å; W493-M536 HydrophobicContact CE3-CE 3.56Å; W493-M536 HydrophobicContact CZ3-CE 3.98Å; V501-M536 HydrophobicContact CG1-CE 3.96Å; V501-M536 HydrophobicContact CG1-SD 4.39Å; V501-M536 HydrophobicContact CG2-CE 4.46Å; V501-M536 HydrophobicContact CG2-SD 3.81Å; T518-M536 HydrophobicContact CG2-SD 3.99Å; V523-M536 HydrophobicContact CG1-CB 4.04Å; C525-M536 WeakPolarHBondContact O-CA 3.4Å; M526-M536 HydrophobicContact CE-CE 3.92Å; M526-M536 HydrophobicContact CE-CG 4.36Å; M526-M536 HydrophobicContact CE-SD 3.72Å; M526-M536 HydrophobicContact CG-CB 4.42Å; M526-M536 HydrophobicContact CG-CG 3.97Å; M526-M536 HydrophobicContact SD-CE 3.96Å; M526-M536 HydrophobicContact SD-CG 4.35Å; M526-M536 HydrophobicContact SD-SD 4.26Å; V534-M536 HydrophobicContact CB-CE 4.29Å; V534-M536 HydrophobicContact CG1-CE 3.52Å; V534-M536 HydrophobicContact CG1-CG 3.92Å; M536-I543 CarbonylContact O-C 3.56Å; M536-I543 VanDerWaalsContact O-CA 3.28Å; M536-I543 WeakPolarHBondContact O-CA 3.17Å; M536-Y544 PolarHBondContact N-O 3.02Å; M536-Y544 PolarHBondContact O-N 3.11Å; M536-I546 HydrophobicContact CE-CD1 3.35Å; M536-I546 HydrophobicContact CG-CD1 4.3Å; M536-I546 HydrophobicContact SD-CD1 3.43Å; M536-I546 WeakPolarHBondContact SD-CD1 3.45Å
537G95.2Very high86.1Confident0 Ų028 Ų280%016%0.155CC..EExtended strand (participates in β ladder)trans-85.2141.7172.900000110.7V523 T524 C525V523-G537 WeakPolarHBondContact CA-O 3.23Å; V523-G537 WeakPolarHBondContact CG1-O 3.25Å; T524-G537 PolarHBondContact N-O 2.61Å; T524-G537 PolarHBondContact OG1-O 2.69Å; T524-G537 VanDerWaalsContact OG1-O 3.06Å; C525-G537 PolarHBondContact O-N 3.39Å
538S94.9Very high85.6Confident0 Ų027.8 Ų27.80%015%0.154CC..EExtended strand (participates in β ladder)trans-129.5160.2-176.1174.20000112.7D540 S541 V542 V564S538-D540 WeakPolarHBondContact CB-OD1 3.06Å; S538-D540 PolarHBondContact O-N 3.11Å; S538-D540 PolarHBondContact OG-N 3.1Å; S538-D540 PolarHBondContact OG-OD1 2.84Å; S538-D540 PolarHBondContact OG-OD2 2.91Å; S538-S541 PolarHBondContact O-N 3.36Å; S538-V542 PolarHBondContact N-O 3.38Å; S538-V564 PolarHBondContact O-N 2.95Å
539Q93.6Very high85.2Confident71 Ų7130.7 Ų30.733%0.33216%0.159SC..THydrogen-bonded Turntrans-60.6-22.2170.9-86.9175.6-7.200114.3L521 Q522 T524 S541 E563L521-Q539 HydrophobicContact CB-CB 3.68Å; L521-Q539 HydrophobicContact CD1-CB 4.19Å; Q522-Q539 PolarHBondContact O-N 2.89Å; T524-Q539 HydrophobicContact CG2-CG 3.72Å; Q539-S541 PolarHBondContact O-N 3.28Å; Q539-E563 HydrophobicContact CB-CG 4.48Å; Q539-E563 HydrophobicContact CG-CB 4.47Å; Q539-E563 HydrophobicContact CG-CG 3.81Å; Q539-E563 WeakPolarHBondContact CG-OE1 3.08Å; Q539-E563 PolarHBondContact NE2-OE1 2.9Å; Q539-E563 VanDerWaalsContact NE2-OE1 3.08Å
540D89.8Confident85.3Confident42 Ų4232.9 Ų32.923%0.22518%0.176CC..THydrogen-bonded Turntrans-78.18.5175.361.717.6000113.9L521 S538 V542 Y544L521-D540 HydrophobicContact CB-CB 4.32Å; L521-D540 HydrophobicContact CD1-CB 4.03Å; L521-D540 HydrophobicContact CG-CB 4.39Å; S538-D540 WeakPolarHBondContact CB-OD1 3.06Å; S538-D540 PolarHBondContact O-N 3.11Å; S538-D540 PolarHBondContact OG-N 3.1Å; S538-D540 PolarHBondContact OG-OD1 2.84Å; S538-D540 PolarHBondContact OG-OD2 2.91Å; D540-V542 PolarHBondContact O-N 2.94Å; D540-V542 VanDerWaalsContact OD1-CB 3.24Å; D540-V542 WeakPolarHBondContact OD1-CB 3.29Å; D540-V542 PolarHBondContact OD1-N 3.42Å; D540-Y544 PolarHBondContact OD2-OH 3.28Å
541S92.3Very high86.2Confident24 Ų2429.1 Ų29.117%0.16815%0.151CC..SBendtrans71.110.5-177.9-37.80000114.8S538 Q539 R561 H562S538-S541 PolarHBondContact O-N 3.36Å; Q539-S541 PolarHBondContact O-N 3.28Å; S541-R561 PolarHBondContact OG-O 3.44Å; S541-H562 WeakPolarHBondContact CA-O 3.42Å; S541-H562 VanDerWaalsContact CB-O 3.28Å; S541-H562 WeakPolarHBondContact CB-O 3.17Å; S541-H562 VanDerWaalsContact OG-CA 3.23Å; S541-H562 WeakPolarHBondContact OG-CA 3.29Å; S541-H562 PolarHBondContact OG-N 3Å; S541-H562 PolarHBondContact OG-O 3.1Å
542V90.4Very high86.9Confident19 Ų1925.8 Ų25.812%0.11514%0.14CC..  trans-101.9145.2-179.9-174.40000110.9S538 D540 Y544 Q556 T558S538-V542 PolarHBondContact N-O 3.38Å; D540-V542 PolarHBondContact O-N 2.94Å; D540-V542 VanDerWaalsContact OD1-CB 3.24Å; D540-V542 WeakPolarHBondContact OD1-CB 3.29Å; D540-V542 PolarHBondContact OD1-N 3.42Å; V542-Y544 HydrophobicContact CB-CD2 4.43Å; V542-Y544 HydrophobicContact CB-CE2 3.81Å; V542-Y544 HydrophobicContact CG1-CD1 4.43Å; V542-Y544 HydrophobicContact CG1-CD2 4.24Å; V542-Y544 HydrophobicContact CG1-CE1 4.17Å; V542-Y544 HydrophobicContact CG1-CE2 3.95Å; V542-Y544 HydrophobicContact CG1-CG 4.46Å; V542-Q556 HydrophobicContact CG1-CB 3.96Å; V542-Q556 HydrophobicContact CG1-CG 4.12Å; V542-T558 HydrophobicContact CG1-CG2 4.46Å; V542-T558 HydrophobicContact CG2-CG2 4.39Å
543I94Very high86.9Confident1 Ų124.3 Ų24.31%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-104.8114.2164.6-54.6170.7000108.1W535 M536 Q556 L557 V564 L567 W592W535-I543 HydrophobicContact CB-CG2 4.17Å; W535-I543 HydrophobicContact CD2-CG2 4.42Å; W535-I543 HydrophobicContact CE3-CG2 4.07Å; W535-I543 HydrophobicContact CG-CG2 4.5Å; M536-I543 CarbonylContact O-C 3.56Å; M536-I543 VanDerWaalsContact O-CA 3.28Å; M536-I543 WeakPolarHBondContact O-CA 3.17Å; I543-Q556 CarbonylContact O-C 3.03Å; I543-Q556 WeakPolarHBondContact O-CA 3.33Å; I543-L557 HydrophobicContact CB-CB 4.09Å; I543-L557 HydrophobicContact CB-CD1 4.35Å; I543-L557 HydrophobicContact CB-CG 4.42Å; I543-L557 HydrophobicContact CD1-CD1 4.43Å; I543-L557 HydrophobicContact CG2-CD1 4.37Å; I543-L557 PolarHBondContact N-O 2.97Å; I543-L557 PolarHBondContact O-N 3.26Å; I543-V564 HydrophobicContact CG1-CG1 4.26Å; I543-V564 HydrophobicContact CG1-CG2 4Å; I543-L567 HydrophobicContact CD1-CD2 4.17Å; I543-W592 HydrophobicContact CD1-CZ2 3.99Å
544Y91.1Very high86.1Confident14 Ų1424.6 Ų24.66%0.05514%0.137CC..EExtended strand (participates in β ladder)trans-87.9134176.1-61-91.5000109.9T518 G519 W535 M536 D540 V542 Q556T518-Y544 HydrophobicContact CG2-CD1 4.49Å; T518-Y544 HydrophobicContact CG2-CD2 4.46Å; T518-Y544 HydrophobicContact CG2-CG 4.13Å; G519-Y544 WeakPolarHBondContact CA-OH 3.24Å; G519-Y544 PolarHBondContact N-OH 2.98Å; W535-Y544 CarbonylContact C-O 3.56Å; W535-Y544 WeakPolarHBondContact CA-O 3.34Å; M536-Y544 PolarHBondContact N-O 3.02Å; M536-Y544 PolarHBondContact O-N 3.11Å; D540-Y544 PolarHBondContact OD2-OH 3.28Å; V542-Y544 HydrophobicContact CB-CD2 4.43Å; V542-Y544 HydrophobicContact CB-CE2 3.81Å; V542-Y544 HydrophobicContact CG1-CD1 4.43Å; V542-Y544 HydrophobicContact CG1-CD2 4.24Å; V542-Y544 HydrophobicContact CG1-CE1 4.17Å; V542-Y544 HydrophobicContact CG1-CE2 3.95Å; V542-Y544 HydrophobicContact CG1-CG 4.46Å; Y544-Q556 HydrophobicContact CD1-CG 3.93Å; Y544-Q556 HydrophobicContact CE1-CG 4.23Å
545I90.3Very high85.7Confident4 Ų426.4 Ų26.42%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-113.7113177.5-56.4176.5000108.4Q533 W535 N554 K555 L557 L597Q533-I545 HydrophobicContact CB-CG2 4.17Å; Q533-I545 HydrophobicContact CG-CG2 4.11Å; W535-I545 HydrophobicContact CD2-CD1 4.42Å; W535-I545 HydrophobicContact CD2-CG1 4.29Å; W535-I545 HydrophobicContact CG-CG1 4.16Å; W535-I545 HydrophobicContact CZ2-CD1 4.16Å; I545-N554 PolarHBondContact O-N 2.78Å; I545-K555 HydrophobicContact CB-CB 4.08Å; I545-K555 HydrophobicContact CD1-CB 4.2Å; I545-K555 PolarHBondContact N-O 3.07Å; I545-L557 HydrophobicContact CD1-CD1 4.07Å; I545-L557 HydrophobicContact CD1-CD2 4.18Å; I545-L557 HydrophobicContact CD1-CG 4.01Å; I545-L597 HydrophobicContact CD1-CD1 3.71Å; I545-L597 HydrophobicContact CD1-CD2 3.7Å; I545-L597 HydrophobicContact CD1-CG 4.3Å
546I88.1Confident85.4Confident0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-107.3132-178-67.5157.4000109.5W493 I516 T518 Q533 V534 M536 C553W493-I546 HydrophobicContact CH2-CG2 3.69Å; W493-I546 HydrophobicContact CZ3-CG2 3.72Å; I516-I546 HydrophobicContact CG2-CD1 3.92Å; T518-I546 HydrophobicContact CG2-CD1 3.83Å; Q533-I546 CarbonylContact C-O 3.5Å; Q533-I546 WeakPolarHBondContact CA-O 3.46Å; V534-I546 PolarHBondContact N-O 3.33Å; V534-I546 PolarHBondContact O-N 3.15Å; M536-I546 HydrophobicContact CE-CD1 3.35Å; M536-I546 HydrophobicContact CG-CD1 4.3Å; M536-I546 HydrophobicContact SD-CD1 3.43Å; M536-I546 WeakPolarHBondContact SD-CD1 3.45Å; I546-C553 HydrophobicContact CG1-CB 3.86Å
547D83.7Confident85.1Confident44 Ų4427.5 Ų27.524%0.23515%0.15CC..EExtended strand (participates in β ladder)trans-76.9128.3171.5-177.2-81.5000109.9H549 S550 M551 S552D547-H549 PolarHBondContact O-N 2.89Å; D547-H549 VanDerWaalsContact OD1-CA 3.32Å; D547-H549 WeakPolarHBondContact OD1-CA 3.25Å; D547-H549 VanDerWaalsContact OD1-CB 3.23Å; D547-H549 WeakPolarHBondContact OD1-CB 3.22Å; D547-H549 IonicContact OD1-CG 2.61Å; D547-H549 PolarHBondContact OD1-N 3.19Å; D547-H549 IonicContact OD1-ND1 3.71Å; D547-S550 WeakPolarHBondContact CB-OG 3.31Å; D547-S550 PolarHBondContact OD1-N 2.89Å; D547-M551 WeakPolarHBondContact O-CA 3.47Å; D547-M551 PolarHBondContact O-N 3.08Å; D547-S552 PolarHBondContact N-O 3.29Å
548T81.2Confident84.9Confident7 Ų729.7 Ų29.74%0.04316%0.163CC..THydrogen-bonded Turntrans-75.1-9.9-175.763.50000113.6K491 W493 D532 V534 M551K491-T548 PolarHBondContact NZ-O 3.37Å; W493-T548 HydrophobicContact CZ2-CG2 3.82Å; D532-T548 VanDerWaalsContact C-OG1 3.31Å; D532-T548 WeakPolarHBondContact CA-OG1 3.44Å; D532-T548 WeakPolarHBondContact CB-OG1 3.44Å; D532-T548 VanDerWaalsContact O-CB 3.31Å; D532-T548 WeakPolarHBondContact O-CB 3.38Å; D532-T548 WeakPolarHBondContact O-CG2 3.47Å; D532-T548 PolarHBondContact O-N 3.38Å; D532-T548 PolarHBondContact O-OG1 3.03Å; V534-T548 HydrophobicContact CG2-CG2 3.75Å; T548-M551 WeakPolarHBondContact O-CE 3.44Å
549H76.3Confident84.7Confident94 Ų9433.7 Ų33.744%0.43518%0.182SC..THydrogen-bonded Turntrans-93.5-54.5175-61.584.3000110.9M488 D532 D547 M551M488-H549 WeakPolarHBondContact CE-NE2 3.49Å; M488-H549 PolarHBondContact SD-NE2 3.28Å; D532-H549 VanDerWaalsContact CG-CE1 3.5Å; D532-H549 IonicContact OD2-CE1 3.08Å; D532-H549 PolarHBondContact OD2-CE1 3.07Å; D547-H549 PolarHBondContact O-N 2.89Å; D547-H549 VanDerWaalsContact OD1-CA 3.32Å; D547-H549 WeakPolarHBondContact OD1-CA 3.25Å; D547-H549 VanDerWaalsContact OD1-CB 3.23Å; D547-H549 WeakPolarHBondContact OD1-CB 3.22Å; D547-H549 IonicContact OD1-CG 2.61Å; D547-H549 PolarHBondContact OD1-N 3.19Å; D547-H549 IonicContact OD1-ND1 3.71Å; H549-M551 VanDerWaalsContact C-N 3.29Å; H549-M551 PolarHBondContact O-N 2.75Å
550S73.7Confident84.6Confident63 Ų6330.7 Ų30.744%0.44117%0.168SC..THydrogen-bonded Turntrans-78.2-14.7-177.469.50000113.3D547 S552D547-S550 WeakPolarHBondContact CB-OG 3.31Å; D547-S550 PolarHBondContact OD1-N 2.89Å; S550-S552 PolarHBondContact O-N 3.42Å; S550-S552 VanDerWaalsContact O-N 3.14Å; S550-S552 PolarHBondContact OG-N 3.23Å; S550-S552 PolarHBondContact OG-OG 2.9Å
551M76Confident84.7Confident30 Ų3039.1 Ų39.115%0.14820%0.197CC..  trans56.623.6-173.5-58.3-59.616800113.3K491 W493 V503 I516 D547 T548 H549K491-M551 HydrophobicContact CD-CE 3.18Å; W493-M551 HydrophobicContact CH2-CE 4.28Å; W493-M551 HydrophobicContact CH2-SD 3.29Å; W493-M551 WeakPolarHBondContact CH2-SD 3.45Å; W493-M551 HydrophobicContact CZ2-CE 4.24Å; W493-M551 HydrophobicContact CZ2-SD 3.82Å; W493-M551 HydrophobicContact CZ3-SD 4.01Å; V503-M551 HydrophobicContact CG1-CE 4.31Å; V503-M551 HydrophobicContact CG1-SD 4.34Å; V503-M551 HydrophobicContact CG2-SD 4.33Å; I516-M551 HydrophobicContact CD1-CB 4.17Å; D547-M551 WeakPolarHBondContact O-CA 3.47Å; D547-M551 PolarHBondContact O-N 3.08Å; T548-M551 WeakPolarHBondContact O-CE 3.44Å; H549-M551 VanDerWaalsContact C-N 3.29Å; H549-M551 PolarHBondContact O-N 2.75Å
552S75.1Confident84.7Confident41 Ų4142.3 Ų42.329%0.28721%0.209SC..  trans-111.4138.9-177.569.40000111D547 S550 N554D547-S552 PolarHBondContact N-O 3.29Å; S550-S552 PolarHBondContact O-N 3.42Å; S550-S552 VanDerWaalsContact O-N 3.14Å; S550-S552 PolarHBondContact OG-N 3.23Å; S550-S552 PolarHBondContact OG-OG 2.9Å; S552-N554 WeakPolarHBondContact CB-OD1 3.43Å; S552-N554 PolarHBondContact O-N 2.84Å; S552-N554 PolarHBondContact OG-ND2 2.87Å; S552-N554 PolarHBondContact OG-OD1 3.31Å
553C75.3Confident84.9Confident16 Ų1642.9 Ų42.911%0.10821%0.21CC..EExtended strand (participates in β ladder)trans-79105.3170.5-178.80000108.8M162 I546M162-C553 HydrophobicContact CE-CB 3.95Å; M162-C553 WeakPolarHBondContact CE-O 3.23Å; I546-C553 HydrophobicContact CG1-CB 3.86Å
554N69.2Low85Confident47 Ų4742.9 Ų42.925%0.25121%0.21SC..EExtended strand (participates in β ladder)trans-101.7-21-178-60.4-24.1000112.2T160 D161 I545 S552T160-N554 CarbonylContact C-O 3.58Å; T160-N554 VanDerWaalsContact O-O 3.11Å; D161-N554 VanDerWaalsContact CA-O 3.3Å; D161-N554 WeakPolarHBondContact CA-O 3.25Å; D161-N554 PolarHBondContact N-O 2.86Å; I545-N554 PolarHBondContact O-N 2.78Å; S552-N554 WeakPolarHBondContact CB-OD1 3.43Å; S552-N554 PolarHBondContact O-N 2.84Å; S552-N554 PolarHBondContact OG-ND2 2.87Å; S552-N554 PolarHBondContact OG-OD1 3.31Å
555K82.1Confident85.2Confident38 Ų3842.9 Ų42.917%0.16521%0.212CC..EExtended strand (participates in β ladder)trans-136.1150.6-176.2-52.7177.8-177176.80111.9S127 I545 L597S127-K555 VanDerWaalsContact OG-CE 3.31Å; S127-K555 WeakPolarHBondContact OG-CE 3.31Å; S127-K555 PolarHBondContact OG-NZ 2.93Å; S127-K555 VanDerWaalsContact OG-NZ 3.13Å; I545-K555 HydrophobicContact CB-CB 4.08Å; I545-K555 HydrophobicContact CD1-CB 4.2Å; I545-K555 PolarHBondContact N-O 3.07Å; K555-L597 HydrophobicContact CB-CD1 4.45Å; K555-L597 HydrophobicContact CD-CD1 3.4Å; K555-L597 VanDerWaalsContact CD-CD1 3.4Å
556Q87Confident85.4Confident12 Ų1242.9 Ų42.96%0.05621%0.213CC..EExtended strand (participates in β ladder)trans-136.7142.5177.7-69.6179.5-2.200110.8M162 V542 I543 Y544M162-Q556 PolarHBondContact SD-NE2 2.98Å; V542-Q556 HydrophobicContact CG1-CB 3.96Å; V542-Q556 HydrophobicContact CG1-CG 4.12Å; I543-Q556 CarbonylContact O-C 3.03Å; I543-Q556 WeakPolarHBondContact O-CA 3.33Å; Y544-Q556 HydrophobicContact CD1-CG 3.93Å; Y544-Q556 HydrophobicContact CE1-CG 4.23Å
557L89.1Confident85.8Confident10 Ų1043.8 Ų43.85%0.05222%0.217CC..EExtended strand (participates in β ladder)trans-114.8127.6172.4-42.8173.1000109W535 I543 I545 W592 L597W535-L557 HydrophobicContact CE3-CD1 4.32Å; W535-L557 HydrophobicContact CH2-CD1 4.02Å; W535-L557 HydrophobicContact CZ3-CD1 3.85Å; I543-L557 HydrophobicContact CB-CB 4.09Å; I543-L557 HydrophobicContact CB-CD1 4.35Å; I543-L557 HydrophobicContact CB-CG 4.42Å; I543-L557 HydrophobicContact CD1-CD1 4.43Å; I543-L557 HydrophobicContact CG2-CD1 4.37Å; I543-L557 PolarHBondContact N-O 2.97Å; I543-L557 PolarHBondContact O-N 3.26Å; I545-L557 HydrophobicContact CD1-CD1 4.07Å; I545-L557 HydrophobicContact CD1-CD2 4.18Å; I545-L557 HydrophobicContact CD1-CG 4.01Å; L557-W592 HydrophobicContact CB-CH2 3.76Å; L557-W592 HydrophobicContact CB-CZ2 4.46Å; L557-W592 HydrophobicContact CB-CZ3 4.07Å; L557-W592 HydrophobicContact CD1-CD2 4.17Å; L557-W592 HydrophobicContact CD1-CE3 3.85Å; L557-W592 HydrophobicContact CD1-CH2 3.94Å; L557-W592 HydrophobicContact CD1-CZ2 4.3Å; L557-W592 HydrophobicContact CD1-CZ3 3.73Å; L557-W592 HydrophobicContact CD2-CZ3 4.25Å; L557-W592 HydrophobicContact CG-CH2 4.36Å; L557-W592 HydrophobicContact CG-CZ3 4.23Å; L557-L597 HydrophobicContact CD2-CB 3.95Å
558T89.8Confident86.2Confident46 Ų4642.4 Ų42.428%0.28221%0.211SC..  trans-120.217.9-167.453.50000113.1K159 V542 H560K159-T558 WeakPolarHBondContact CE-OG1 3.34Å; K159-T558 PolarHBondContact NZ-OG1 3.14Å; V542-T558 HydrophobicContact CG1-CG2 4.46Å; V542-T558 HydrophobicContact CG2-CG2 4.39Å; T558-H560 VanDerWaalsContact C-N 3.34Å
559E91.4Very high86.5Confident85 Ų8543.6 Ų43.640%0.39722%0.218SC..  trans-86.7-14.8-163.2-79.542135.400111.8K159 L590 W592 V599K159-E559 IonicContact NZ-OE1 3.81Å; K159-E559 PolarHBondContact NZ-OE1 3.25Å; K159-E559 IonicContact NZ-OE2 2.64Å; K159-E559 PolarHBondContact NZ-OE2 2.85Å; E559-L590 HydrophobicContact CB-CD1 4Å; E559-W592 HydrophobicContact CB-CH2 3.86Å; E559-W592 HydrophobicContact CG-CH2 4.25Å; E559-V599 HydrophobicContact CB-CG2 4.42Å; E559-V599 HydrophobicContact CG-CG2 4.31Å
560H91.5Very high86.7Confident8 Ų839.3 Ų39.34%0.03720%0.198CC..  trans-74.6149.5165.7-80-59.6000111T558 V564 S582 S584T558-H560 VanDerWaalsContact C-N 3.34Å; H560-V564 HydrophobicContact CB-CG2 4.19Å; H560-S582 PolarHBondContact CD2-OG 3.46Å; H560-S582 PolarHBondContact NE2-OG 2.81Å; H560-S584 WeakPolarHBondContact ND1-CB 3.35Å
561R90.5Very high86.4Confident219 Ų21940.4 Ų40.483%0.82620%0.203SC*.SBendtrans-108-10.3178.6-63.9-174.7-179-176.71.5113.8S541S541-R561 PolarHBondContact OG-O 3.44Å
562H92.6Very high85.8Confident91 Ų9141.6 Ų41.642%0.42121%0.212SC..SBendtrans-135.4172.2178.2-5690.9000109.9S541 V564 S584 C585 D586S541-H562 WeakPolarHBondContact CA-O 3.42Å; S541-H562 VanDerWaalsContact CB-O 3.28Å; S541-H562 WeakPolarHBondContact CB-O 3.17Å; S541-H562 VanDerWaalsContact OG-CA 3.23Å; S541-H562 WeakPolarHBondContact OG-CA 3.29Å; S541-H562 PolarHBondContact OG-N 3Å; S541-H562 PolarHBondContact OG-O 3.1Å; H562-V564 PolarHBondContact O-N 3.4Å; H562-S584 WeakPolarHBondContact CB-OG 3.44Å; H562-S584 PolarHBondContact O-OG 3.08Å; H562-C585 VanDerWaalsContact CB-SG 3.57Å; H562-D586 HydrophobicContact CB-CB 4.41Å; H562-D586 IonicContact CE1-OD2 2.66Å; H562-D586 PolarHBondContact CE1-OD2 2.91Å; H562-D586 IonicContact CG-OD2 2.74Å; H562-D586 IonicContact ND1-OD2 3.95Å; H562-D586 PolarHBondContact ND1-OD2 3.45Å
563E94.3Very high84.8Confident31 Ų3142 Ų4215%0.14521%0.211CC..  trans-41124.2178.5168.4179.9-144.800111.1T524 Q539 T565 S584 C585 R609T524-E563 HydrophobicContact CG2-CG 3.98Å; T524-E563 VanDerWaalsContact CG2-OE1 3.28Å; T524-E563 WeakPolarHBondContact CG2-OE1 3.28Å; Q539-E563 HydrophobicContact CB-CG 4.48Å; Q539-E563 HydrophobicContact CG-CB 4.47Å; Q539-E563 HydrophobicContact CG-CG 3.81Å; Q539-E563 WeakPolarHBondContact CG-OE1 3.08Å; Q539-E563 PolarHBondContact NE2-OE1 2.9Å; Q539-E563 VanDerWaalsContact NE2-OE1 3.08Å; E563-T565 HydrophobicContact CG-CG2 3.94Å; E563-T565 PolarHBondContact O-N 3.31Å; E563-S584 CarbonylContact O-C 3.55Å; E563-S584 WeakPolarHBondContact O-CA 3.28Å; E563-S584 WeakPolarHBondContact O-CB 3.39Å; E563-S584 PolarHBondContact O-OG 2.94Å; E563-C585 HydrophobicContact CB-CB 4.49Å; E563-C585 PolarHBondContact O-N 3.49Å; E563-R609 IonicContact OE1-NH2 3.2Å; E563-R609 IonicContact OE2-CZ 2.7Å; E563-R609 IonicContact OE2-NH2 3.83Å; E563-R609 PolarHBondContact OE2-NH2 3.24Å
564V96.9Very high83.6Confident0 Ų049.6 Ų49.60%024%0.244CC..EExtended strand (participates in β ladder)trans-73.3124.5170.9-175.30000106.4T524 S538 I543 H560 H562 C583T524-V564 WeakPolarHBondContact CB-O 3.48Å; T524-V564 PolarHBondContact OG1-O 2.82Å; S538-V564 PolarHBondContact O-N 2.95Å; I543-V564 HydrophobicContact CG1-CG1 4.26Å; I543-V564 HydrophobicContact CG1-CG2 4Å; H560-V564 HydrophobicContact CB-CG2 4.19Å; H562-V564 PolarHBondContact O-N 3.4Å; V564-C583 CarbonylContact C-O 3.53Å; V564-C583 WeakPolarHBondContact CA-O 3.06Å
565T95.8Very high82.6Confident15 Ų1552.2 Ų52.29%0.09227%0.266CS..EExtended strand (participates in β ladder)trans-109.6-17-174.252.10000113.4E563 C583 C585 L610E563-T565 HydrophobicContact CG-CG2 3.94Å; E563-T565 PolarHBondContact O-N 3.31Å; T565-C583 PolarHBondContact N-O 3.42Å; T565-C583 PolarHBondContact OG1-O 3.06Å; T565-C583 PolarHBondContact OG1-SG 2.51Å; T565-C583 VanDerWaalsContact OG1-SG 3.36Å; T565-C585 HydrophobicContact CG2-CB 3.69Å; T565-L610 VanDerWaalsContact CB-O 3.26Å; T565-L610 WeakPolarHBondContact CB-O 3.43Å; T565-L610 WeakPolarHBondContact CG2-O 3.13Å; T565-L610 PolarHBondContact OG1-O 3.5Å
566G94.9Very high80.8Confident4 Ų455.7 Ų55.74%0.04129%0.287CS..EExtended strand (participates in β ladder)trans-159.4151.1-179.200000113.6S582 C583G566-S582 VanDerWaalsContact O-CA 3.31Å; G566-S582 WeakPolarHBondContact O-CA 3.28Å; G566-C583 VanDerWaalsContact CA-SG 3.5Å; G566-C583 PolarHBondContact N-O 2.89Å; G566-C583 PolarHBondContact N-SG 3.45Å; G566-C583 PolarHBondContact O-N 2.77Å
567L95.1Very high79.4Confident19 Ų1956.8 Ų56.810%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-131.7137.9174-69.8169.4000108.5M527 W535 I543 Y581M527-L567 HydrophobicContact CB-CB 3.84Å; M527-L567 HydrophobicContact CB-CD1 4.28Å; M527-L567 HydrophobicContact CE-CB 4.33Å; M527-L567 HydrophobicContact SD-CB 4.24Å; W535-L567 HydrophobicContact CB-CD1 4.05Å; W535-L567 HydrophobicContact CE3-CD2 4.49Å; I543-L567 HydrophobicContact CD1-CD2 4.17Å; L567-Y581 WeakPolarHBondContact CA-O 3.23Å
568S91.7Very high78.6Confident15 Ų1558 Ų5811%0.10531%0.306CS..EExtended strand (participates in β ladder)trans-146.4148.4175-171.70000110.7A580 Y581 S615S568-A580 CarbonylContact O-C 3.55Å; S568-Y581 PolarHBondContact N-O 3.47Å; S568-Y581 PolarHBondContact O-N 2.74Å; S568-S615 WeakPolarHBondContact OG-CB 3.37Å; S568-S615 PolarHBondContact OG-N 3.27Å
569V88.1Confident78.3Confident32 Ų3256.7 Ų56.719%0.19430%0.297CS..EExtended strand (participates in β ladder)trans-111.8141.8173.163.20000109.1M527 L529 T571 Q578M527-V569 HydrophobicContact SD-CB 3.74Å; M527-V569 HydrophobicContact SD-CG1 4.24Å; M527-V569 PolarHBondContact SD-N 3.22Å; M527-V569 VanDerWaalsContact SD-N 3.35Å; L529-V569 HydrophobicContact CD2-CB 4.14Å; L529-V569 HydrophobicContact CD2-CG2 3.92Å; V569-T571 HydrophobicContact CG1-CG2 4.22Å; V569-Q578 HydrophobicContact CG2-CB 4.42Å
570D79.9Confident78.3Confident3 Ų352.6 Ų52.62%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-91115.2168.9-173.7-8.3000108.7T572 L579 Y581D570-T572 WeakPolarHBondContact OD1-CB 3.15Å; D570-T572 PolarHBondContact OD1-N 3.32Å; D570-T572 PolarHBondContact OD1-OG1 3.05Å; D570-L579 PolarHBondContact N-O 2.99Å; D570-Y581 HydrophobicContact CB-CE2 4Å
571T67.9Low78.3Confident87 Ų8752.3 Ų52.353%0.53428%0.277SS..  trans-88-3.9-177.151.60000113.2V569 H574V569-T571 HydrophobicContact CG1-CG2 4.22Å; T571-H574 PolarHBondContact O-CE1 3.24Å; T571-H574 VanDerWaalsContact O-CE1 3.27Å; T571-H574 PolarHBondContact O-NE2 3.06Å
572T63.7Low78.6Confident55 Ų5541.9 Ų41.934%0.33724%0.238SC..SBendtrans-80.7-25.9-172.262.50000114.5D570 H574D570-T572 WeakPolarHBondContact OD1-CB 3.15Å; D570-T572 PolarHBondContact OD1-N 3.32Å; D570-T572 PolarHBondContact OD1-OG1 3.05Å; T572-H574 PolarHBondContact O-N 3.08Å
573D53.7Low78.8Confident49 Ų4937.6 Ų37.626%0.26222%0.218SC..  trans-97.180.6-178.3-96.9-30.3000111.7S575D573-S575 PolarHBondContact O-N 3.38Å
574H51.2Low78.9Confident175 Ų17536.1 Ų36.181%0.8121%0.211SC*.THydrogen-bonded Turntrans-70.4-3.6172.6-63.8-54.7000113.9T571 T572T571-H574 PolarHBondContact O-CE1 3.24Å; T571-H574 VanDerWaalsContact O-CE1 3.27Å; T571-H574 PolarHBondContact O-NE2 3.06Å; T572-H574 PolarHBondContact O-N 3.08Å
575S46.7Very low78.8Confident103 Ų10337.3 Ų37.372%0.7222%0.219SC*.THydrogen-bonded Turntrans-108.4-20.1-166.459.50000115.5D573D573-S575 PolarHBondContact O-N 3.38Å
576N44.5Very low78.7Confident111 Ų11138.8 Ų38.859%0.59423%0.226SC*.SBendtrans-130.618.7-158-150.6-10.1000113.9
577G57.8Low78.7Confident34 Ų3438.6 Ų38.635%0.35123%0.225SC..  trans77.5138.2-166.800000111.5L579G577-L579 PolarHBondContact O-N 2.77Å
578Q72.1Confident78.7Confident35 Ų3538.6 Ų38.616%0.16423%0.225CC..  trans-60.7128.9177.8-85.6177-18.900110.2V569 S594V569-Q578 HydrophobicContact CG2-CB 4.42Å; Q578-S594 WeakPolarHBondContact CB-OG 3.34Å; Q578-S594 WeakPolarHBondContact O-CB 3.42Å; Q578-S594 PolarHBondContact O-N 2.96Å; Q578-S594 VanDerWaalsContact O-N 3.1Å; Q578-S594 PolarHBondContact O-OG 2.93Å
579L84.5Confident78.9Confident19 Ų1937.9 Ų37.910%0.09922%0.22CC..EExtended strand (participates in β ladder)trans-92.8124173.9-66.6171000108.5D570 G577 Y581 Q591 K600D570-L579 PolarHBondContact N-O 2.99Å; G577-L579 PolarHBondContact O-N 2.77Å; L579-Y581 HydrophobicContact CB-CE2 4.45Å; L579-Q591 HydrophobicContact CD2-CG 4.37Å; L579-K600 HydrophobicContact CD2-CD 3.67Å
580A90.2Very high79.3Confident0 Ų036.6 Ų36.60%021%0.212CC..EExtended strand (participates in β ladder)trans-104.2149.2172.500000109.5M527 W535 S568 Q591 W592M527-A580 HydrophobicContact CE-CB 3.92Å; W535-A580 HydrophobicContact CH2-CB 4.07Å; W535-A580 HydrophobicContact CZ3-CB 3.89Å; S568-A580 CarbonylContact O-C 3.55Å; A580-Q591 CarbonylContact O-C 3.56Å; A580-W592 HydrophobicContact CB-CB 4.17Å; A580-W592 PolarHBondContact N-O 3.46Å; A580-W592 VanDerWaalsContact N-O 3.08Å; A580-W592 PolarHBondContact O-N 3.4Å
581Y93.2Very high79.9Confident2 Ų236.9 Ų36.91%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-122.9141.9174.1-62.6-90.7000109L567 S568 D570 L579 I589 L590 Q591 F603 L620L567-Y581 WeakPolarHBondContact CA-O 3.23Å; S568-Y581 PolarHBondContact N-O 3.47Å; S568-Y581 PolarHBondContact O-N 2.74Å; D570-Y581 HydrophobicContact CB-CE2 4Å; L579-Y581 HydrophobicContact CB-CE2 4.45Å; Y581-I589 HydrophobicContact CD1-CG2 4.49Å; Y581-L590 CarbonylContact C-O 3.59Å; Y581-L590 VanDerWaalsContact CA-O 3.29Å; Y581-L590 WeakPolarHBondContact CA-O 3.44Å; Y581-Q591 HydrophobicContact CD1-CB 3.91Å; Y581-Q591 HydrophobicContact CD1-CG 4.07Å; Y581-Q591 HydrophobicContact CE1-CB 3.72Å; Y581-Q591 HydrophobicContact CE1-CG 3.54Å; Y581-Q591 PolarHBondContact OH-NE2 2.69Å; Y581-F603 HydrophobicContact CE1-CE2 4.3Å; Y581-L620 HydrophobicContact CD1-CD1 3.76Å; Y581-L620 HydrophobicContact CD1-CD2 4.31Å; Y581-L620 HydrophobicContact CD2-CD2 3.84Å; Y581-L620 HydrophobicContact CE1-CD1 3.55Å; Y581-L620 HydrophobicContact CE1-CD2 4.45Å; Y581-L620 HydrophobicContact CE1-CG 4.5Å; Y581-L620 HydrophobicContact CE2-CD1 4.44Å; Y581-L620 HydrophobicContact CE2-CD2 4Å; Y581-L620 HydrophobicContact CG-CD1 4.29Å; Y581-L620 HydrophobicContact CG-CD2 3.99Å
582S95.9Very high81Confident0 Ų032.8 Ų32.80%019%0.188CC..EExtended strand (participates in β ladder)trans-129146.8167.366.20000110.2H560 G566 I589 L590 W592H560-S582 PolarHBondContact CD2-OG 3.46Å; H560-S582 PolarHBondContact NE2-OG 2.81Å; G566-S582 VanDerWaalsContact O-CA 3.31Å; G566-S582 WeakPolarHBondContact O-CA 3.28Å; S582-I589 CarbonylContact O-C 3.48Å; S582-I589 WeakPolarHBondContact O-CA 3.45Å; S582-L590 PolarHBondContact N-O 2.85Å; S582-L590 PolarHBondContact O-N 2.87Å; S582-W592 PolarHBondContact OG-NE1 3.21Å
583C96.4Very high82.1Confident0 Ų031.1 Ų31.10%018%0.177CC..EExtended strand (participates in β ladder)trans-123.8151.3175.166.40000111.6V564 T565 G566 T588 I589 L610 I613V564-C583 CarbonylContact C-O 3.53Å; V564-C583 WeakPolarHBondContact CA-O 3.06Å; T565-C583 PolarHBondContact N-O 3.42Å; T565-C583 PolarHBondContact OG1-O 3.06Å; T565-C583 PolarHBondContact OG1-SG 2.51Å; T565-C583 VanDerWaalsContact OG1-SG 3.36Å; G566-C583 VanDerWaalsContact CA-SG 3.5Å; G566-C583 PolarHBondContact N-O 2.89Å; G566-C583 PolarHBondContact N-SG 3.45Å; G566-C583 PolarHBondContact O-N 2.77Å; C583-T588 CarbonylContact C-O 3.53Å; C583-T588 VanDerWaalsContact CA-O 3.28Å; C583-T588 WeakPolarHBondContact CA-O 3.43Å; C583-I589 HydrophobicContact CB-CG1 4.09Å; C583-L610 HydrophobicContact CB-CD2 3.54Å; C583-L610 HydrophobicContact CB-CG 4.01Å; C583-I613 HydrophobicContact CB-CB 4.27Å; C583-I613 HydrophobicContact CB-CG2 4.14Å; C583-I613 VanDerWaalsContact SG-CG2 3.53Å
584S96.9Very high83.4Confident0 Ų029.1 Ų29.10%017%0.167CC..EExtended strand (participates in β ladder)trans-116.6157.9175.3-176.20000111.1H560 H562 E563 D586 G587 T588 L610H560-S584 WeakPolarHBondContact ND1-CB 3.35Å; H562-S584 WeakPolarHBondContact CB-OG 3.44Å; H562-S584 PolarHBondContact O-OG 3.08Å; E563-S584 CarbonylContact O-C 3.55Å; E563-S584 WeakPolarHBondContact O-CA 3.28Å; E563-S584 WeakPolarHBondContact O-CB 3.39Å; E563-S584 PolarHBondContact O-OG 2.94Å; S584-D586 WeakPolarHBondContact CB-OD1 3.33Å; S584-D586 PolarHBondContact O-N 3.05Å; S584-D586 VanDerWaalsContact O-N 3.12Å; S584-G587 PolarHBondContact O-N 2.81Å; S584-G587 VanDerWaalsContact O-N 3.09Å; S584-T588 PolarHBondContact N-O 3.25Å; S584-L610 WeakPolarHBondContact O-CB 3.5Å
585C95.1Very high84.8Confident26 Ų2624.4 Ų24.418%0.17616%0.158CC..THydrogen-bonded Turntrans-58.6-24.7-177.164.40000113.7H562 E563 T565 G587 R609 L610H562-C585 VanDerWaalsContact CB-SG 3.57Å; E563-C585 HydrophobicContact CB-CB 4.49Å; E563-C585 PolarHBondContact O-N 3.49Å; T565-C585 HydrophobicContact CG2-CB 3.69Å; C585-G587 PolarHBondContact O-N 3.4Å; C585-R609 HydrophobicContact CB-CG 4.11Å; C585-R609 WeakPolarHBondContact O-CA 3.34Å; C585-L610 PolarHBondContact O-N 2.73Å; C585-L610 VanDerWaalsContact O-N 3.08Å
586D94.1Very high86.4Confident46 Ų4622.9 Ų22.925%0.24615%0.145CC..THydrogen-bonded Turntrans-78.54.1178.171.5-2000114.8H562 S584 T588 H604H562-D586 HydrophobicContact CB-CB 4.41Å; H562-D586 IonicContact CE1-OD2 2.66Å; H562-D586 PolarHBondContact CE1-OD2 2.91Å; H562-D586 IonicContact CG-OD2 2.74Å; H562-D586 IonicContact ND1-OD2 3.95Å; H562-D586 PolarHBondContact ND1-OD2 3.45Å; S584-D586 WeakPolarHBondContact CB-OD1 3.33Å; S584-D586 PolarHBondContact O-N 3.05Å; S584-D586 VanDerWaalsContact O-N 3.12Å; D586-T588 WeakPolarHBondContact OD1-CB 3.28Å; D586-T588 PolarHBondContact OD1-N 2.95Å; D586-T588 PolarHBondContact OD1-OG1 3.35Å; D586-T588 PolarHBondContact OD2-OG1 3.06Å; D586-H604 PolarHBondContact O-CE1 3.01Å; D586-H604 VanDerWaalsContact O-CE1 3.31Å
587G93.8Very high88.4Confident0 Ų018.9 Ų18.90%012%0.123CC..SBendtrans87.32.5-178.400000114.7S584 C585 L605S584-G587 PolarHBondContact O-N 2.81Å; S584-G587 VanDerWaalsContact O-N 3.09Å; C585-G587 PolarHBondContact O-N 3.4Å; G587-L605 PolarHBondContact O-N 3.3Å
588T95.8Very high89.8Confident19 Ų1922.8 Ų22.812%0.11713%0.131CC..EExtended strand (participates in β ladder)trans-73.5131.3174.7-57.10000111.1C583 S584 D586 L590 Q602C583-T588 CarbonylContact C-O 3.53Å; C583-T588 VanDerWaalsContact CA-O 3.28Å; C583-T588 WeakPolarHBondContact CA-O 3.43Å; S584-T588 PolarHBondContact N-O 3.25Å; D586-T588 WeakPolarHBondContact OD1-CB 3.28Å; D586-T588 PolarHBondContact OD1-N 2.95Å; D586-T588 PolarHBondContact OD1-OG1 3.35Å; D586-T588 PolarHBondContact OD2-OG1 3.06Å; T588-L590 HydrophobicContact CG2-CD2 4.07Å; T588-L590 HydrophobicContact CG2-CG 4.26Å; T588-Q602 HydrophobicContact CG2-CG 4.35Å
589I96.2Very high90.7Very high0 Ų023.9 Ų23.90%014%0.14CC..EExtended strand (participates in β ladder)trans-123.6125.2174.8-56.2169.6000108.8Y581 S582 C583 Q602 F603 L605 L610 I613 L631Y581-I589 HydrophobicContact CD1-CG2 4.49Å; S582-I589 CarbonylContact O-C 3.48Å; S582-I589 WeakPolarHBondContact O-CA 3.45Å; C583-I589 HydrophobicContact CB-CG1 4.09Å; I589-Q602 WeakPolarHBondContact O-CA 3.23Å; I589-F603 HydrophobicContact CB-CB 4.27Å; I589-F603 HydrophobicContact CB-CD2 4.21Å; I589-F603 HydrophobicContact CG2-CD2 4.04Å; I589-F603 PolarHBondContact N-O 3.07Å; I589-F603 PolarHBondContact O-N 2.73Å; I589-L605 HydrophobicContact CD1-CB 4.48Å; I589-L610 HydrophobicContact CD1-CD2 4.03Å; I589-L610 HydrophobicContact CG1-CD2 3.72Å; I589-I613 HydrophobicContact CD1-CD1 4.3Å; I589-I613 HydrophobicContact CG2-CD1 3.78Å; I589-L631 HydrophobicContact CD1-CD1 3.49Å; I589-L631 VanDerWaalsContact CD1-CD1 3.49Å
590L94.8Very high91Very high4 Ų427.5 Ų27.52%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-111.7131.2178.9-60-179.4000110.1E559 Y581 S582 T588 W592 V599 Q602E559-L590 HydrophobicContact CB-CD1 4Å; Y581-L590 CarbonylContact C-O 3.59Å; Y581-L590 VanDerWaalsContact CA-O 3.29Å; Y581-L590 WeakPolarHBondContact CA-O 3.44Å; S582-L590 PolarHBondContact N-O 2.85Å; S582-L590 PolarHBondContact O-N 2.87Å; T588-L590 HydrophobicContact CG2-CD2 4.07Å; T588-L590 HydrophobicContact CG2-CG 4.26Å; L590-W592 HydrophobicContact CB-CZ2 3.99Å; L590-W592 HydrophobicContact CD1-CH2 4.21Å; L590-W592 HydrophobicContact CD1-CZ2 3.59Å; L590-W592 HydrophobicContact CG-CZ2 4.45Å; L590-W592 PolarHBondContact O-NE1 3.4Å; L590-V599 HydrophobicContact CD1-CG2 4.44Å; L590-V599 HydrophobicContact CD2-CG1 4.22Å; L590-Q602 HydrophobicContact CD2-CB 3.73Å; L590-Q602 HydrophobicContact CD2-CG 3.63Å
591Q92.7Very high91Very high10 Ų1033.7 Ų33.75%0.04718%0.178CC..EExtended strand (participates in β ladder)trans-97.8125.5170.9-176.1-177.749.900109.1L579 A580 Y581 V599 K600 R601 F603L579-Q591 HydrophobicContact CD2-CG 4.37Å; A580-Q591 CarbonylContact O-C 3.56Å; Y581-Q591 HydrophobicContact CD1-CB 3.91Å; Y581-Q591 HydrophobicContact CD1-CG 4.07Å; Y581-Q591 HydrophobicContact CE1-CB 3.72Å; Y581-Q591 HydrophobicContact CE1-CG 3.54Å; Y581-Q591 PolarHBondContact OH-NE2 2.69Å; Q591-V599 CarbonylContact O-C 3.59Å; Q591-V599 WeakPolarHBondContact O-CA 3.27Å; Q591-K600 HydrophobicContact CG-CB 4.47Å; Q591-K600 PolarHBondContact O-N 2.93Å; Q591-R601 HydrophobicContact CB-CB 4.07Å; Q591-R601 PolarHBondContact N-O 2.82Å; Q591-R601 PolarHBondContact O-N 2.66Å; Q591-R601 VanDerWaalsContact OE1-CD 3.31Å; Q591-F603 HydrophobicContact CB-CE2 4.31Å
592W90.9Very high91Very high1 Ų140 Ų400%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-111.2142.8-176.1-54.487.7000111W535 I543 L557 E559 A580 S582 L590 V599W535-W592 HydrophobicContact CH2-CB 3.96Å; W535-W592 HydrophobicContact CH2-CG 4.24Å; W535-W592 HydrophobicContact CZ3-CB 4.13Å; W535-W592 HydrophobicContact CZ3-CD2 4.45Å; W535-W592 AromaticContact CZ3-CG 3.98Å; W535-W592 HydrophobicContact CZ3-CG 3.98Å; I543-W592 HydrophobicContact CD1-CZ2 3.99Å; L557-W592 HydrophobicContact CB-CH2 3.76Å; L557-W592 HydrophobicContact CB-CZ2 4.46Å; L557-W592 HydrophobicContact CB-CZ3 4.07Å; L557-W592 HydrophobicContact CD1-CD2 4.17Å; L557-W592 HydrophobicContact CD1-CE3 3.85Å; L557-W592 HydrophobicContact CD1-CH2 3.94Å; L557-W592 HydrophobicContact CD1-CZ2 4.3Å; L557-W592 HydrophobicContact CD1-CZ3 3.73Å; L557-W592 HydrophobicContact CD2-CZ3 4.25Å; L557-W592 HydrophobicContact CG-CH2 4.36Å; L557-W592 HydrophobicContact CG-CZ3 4.23Å; E559-W592 HydrophobicContact CB-CH2 3.86Å; E559-W592 HydrophobicContact CG-CH2 4.25Å; A580-W592 HydrophobicContact CB-CB 4.17Å; A580-W592 PolarHBondContact N-O 3.46Å; A580-W592 VanDerWaalsContact N-O 3.08Å; A580-W592 PolarHBondContact O-N 3.4Å; S582-W592 PolarHBondContact OG-NE1 3.21Å; L590-W592 HydrophobicContact CB-CZ2 3.99Å; L590-W592 HydrophobicContact CD1-CH2 4.21Å; L590-W592 HydrophobicContact CD1-CZ2 3.59Å; L590-W592 HydrophobicContact CG-CZ2 4.45Å; L590-W592 PolarHBondContact O-NE1 3.4Å; W592-V599 HydrophobicContact CD2-CG2 4.31Å; W592-V599 HydrophobicContact CE3-CG2 3.77Å; W592-V599 HydrophobicContact CH2-CG2 3.69Å; W592-V599 HydrophobicContact CZ2-CG2 4.19Å; W592-V599 HydrophobicContact CZ3-CG2 3.42Å; W592-V599 VanDerWaalsContact CZ3-CG2 3.42Å
593D86.8Confident90.8Very high19 Ų1941 Ų4110%0.10221%0.212CC..EExtended strand (participates in β ladder)trans-82115159.1-176-72.7000108.9A595 T596 L597 K598 K600D593-A595 PolarHBondContact O-N 3.49Å; D593-A595 PolarHBondContact OD1-N 3.27Å; D593-A595 VanDerWaalsContact OD1-N 3.11Å; D593-T596 VanDerWaalsContact CB-OG1 3.23Å; D593-T596 WeakPolarHBondContact CB-OG1 3.43Å; D593-T596 PolarHBondContact OD1-N 2.77Å; D593-T596 PolarHBondContact OD1-OG1 2.86Å; D593-L597 VanDerWaalsContact O-CA 3.25Å; D593-L597 WeakPolarHBondContact O-CA 3.31Å; D593-L597 PolarHBondContact O-N 3.11Å; D593-K598 PolarHBondContact N-O 3.19Å; D593-K600 HydrophobicContact CB-CD 4.01Å; D593-K600 HydrophobicContact CB-CG 4.18Å; D593-K600 WeakPolarHBondContact OD2-CE 3.22Å; D593-K600 IonicContact OD2-NZ 3.32Å; D593-K600 PolarHBondContact OD2-NZ 2.94Å
594S81.8Confident90.6Very high8 Ų847.2 Ų47.26%0.05624%0.24CC..THydrogen-bonded Turntrans-66.5-22.9-173.772.30000113.7Q578 L597Q578-S594 WeakPolarHBondContact CB-OG 3.34Å; Q578-S594 WeakPolarHBondContact O-CB 3.42Å; Q578-S594 PolarHBondContact O-N 2.96Å; Q578-S594 VanDerWaalsContact O-N 3.1Å; Q578-S594 PolarHBondContact O-OG 2.93Å; S594-L597 WeakPolarHBondContact O-CD2 3.48Å
595A80.1Confident90.3Very high75 Ų7547.6 Ų47.662%0.6224%0.242SC*.THydrogen-bonded Turntrans-83.9-45.7-17800000111.4D593D593-A595 PolarHBondContact O-N 3.49Å; D593-A595 PolarHBondContact OD1-N 3.27Å; D593-A595 VanDerWaalsContact OD1-N 3.11Å
596T81.6Confident90.1Very high72 Ų7250.9 Ų50.944%0.44227%0.266SS..THydrogen-bonded Turntrans-91-14.5-177.763.40000113.6D593 K598D593-T596 VanDerWaalsContact CB-OG1 3.23Å; D593-T596 WeakPolarHBondContact CB-OG1 3.43Å; D593-T596 PolarHBondContact OD1-N 2.77Å; D593-T596 PolarHBondContact OD1-OG1 2.86Å; T596-K598 PolarHBondContact O-N 2.76Å
597L85.8Confident89.7Confident27 Ų2750 Ų5014%0.14126%0.263CS..  trans59.421.5-175.6-51.6177.8000113.9W535 I545 K555 L557 D593 S594W535-L597 HydrophobicContact CH2-CD2 3.94Å; W535-L597 HydrophobicContact CZ2-CD2 3.31Å; I545-L597 HydrophobicContact CD1-CD1 3.71Å; I545-L597 HydrophobicContact CD1-CD2 3.7Å; I545-L597 HydrophobicContact CD1-CG 4.3Å; K555-L597 HydrophobicContact CB-CD1 4.45Å; K555-L597 HydrophobicContact CD-CD1 3.4Å; K555-L597 VanDerWaalsContact CD-CD1 3.4Å; L557-L597 HydrophobicContact CD2-CB 3.95Å; D593-L597 VanDerWaalsContact O-CA 3.25Å; D593-L597 WeakPolarHBondContact O-CA 3.31Å; D593-L597 PolarHBondContact O-N 3.11Å; S594-L597 WeakPolarHBondContact O-CD2 3.48Å
598K87.2Confident89.3Confident116 Ų11657.3 Ų57.350%0.50430%0.302SS..  trans-96.3146.7177.7-68.1-174.3178.3-178.90111D593 T596 K600D593-K598 PolarHBondContact N-O 3.19Å; T596-K598 PolarHBondContact O-N 2.76Å; K598-K600 PolarHBondContact O-N 3.27Å
599V90.9Very high89.1Confident58 Ų5862.4 Ų62.435%0.35232%0.319SS..EExtended strand (participates in β ladder)trans-69.9121.5172.1-179.30000109E559 L590 Q591 W592 R601E559-V599 HydrophobicContact CB-CG2 4.42Å; E559-V599 HydrophobicContact CG-CG2 4.31Å; L590-V599 HydrophobicContact CD1-CG2 4.44Å; L590-V599 HydrophobicContact CD2-CG1 4.22Å; Q591-V599 CarbonylContact O-C 3.59Å; Q591-V599 WeakPolarHBondContact O-CA 3.27Å; W592-V599 HydrophobicContact CD2-CG2 4.31Å; W592-V599 HydrophobicContact CE3-CG2 3.77Å; W592-V599 HydrophobicContact CH2-CG2 3.69Å; W592-V599 HydrophobicContact CZ2-CG2 4.19Å; W592-V599 HydrophobicContact CZ3-CG2 3.42Å; W592-V599 VanDerWaalsContact CZ3-CG2 3.42Å; V599-R601 WeakPolarHBondContact CG1-O 3.5Å
600K90.4Very high89Confident94 Ų9462.4 Ų62.441%0.40932%0.319SS..EExtended strand (participates in β ladder)trans-87.3-41.6172.9-83.3-179.2167.2164.10111.7L579 Q591 D593 K598L579-K600 HydrophobicContact CD2-CD 3.67Å; Q591-K600 HydrophobicContact CG-CB 4.47Å; Q591-K600 PolarHBondContact O-N 2.93Å; D593-K600 HydrophobicContact CB-CD 4.01Å; D593-K600 HydrophobicContact CB-CG 4.18Å; D593-K600 WeakPolarHBondContact OD2-CE 3.22Å; D593-K600 IonicContact OD2-NZ 3.32Å; D593-K600 PolarHBondContact OD2-NZ 2.94Å; K598-K600 PolarHBondContact O-N 3.27Å
601R90.4Very high88.9Confident131 Ų13164.3 Ų64.349%0.49433%0.332SS..EExtended strand (participates in β ladder)trans-147.2152.9-178.6-62.7-175.2-178167.21.2111.1Q591 V599 F603 K633Q591-R601 HydrophobicContact CB-CB 4.07Å; Q591-R601 PolarHBondContact N-O 2.82Å; Q591-R601 PolarHBondContact O-N 2.66Å; Q591-R601 VanDerWaalsContact OE1-CD 3.31Å; V599-R601 WeakPolarHBondContact CG1-O 3.5Å; R601-F603 HydrophobicContact CB-CE1 4.02Å; R601-F603 HydrophobicContact CB-CE2 4.25Å; R601-F603 HydrophobicContact CB-CZ 3.69Å; R601-F603 HydrophobicContact CG-CZ 4.41Å; R601-K633 PolarHBondContact NH1-O 2.91Å
602Q93.6Very high88.9Confident134 Ų13465.3 Ų65.363%0.62634%0.34SS*.EExtended strand (participates in β ladder)trans-126.5134.6172.2174174.4-12.400108.8T588 I589 L590T588-Q602 HydrophobicContact CG2-CG 4.35Å; I589-Q602 WeakPolarHBondContact O-CA 3.23Å; L590-Q602 HydrophobicContact CD2-CB 3.73Å; L590-Q602 HydrophobicContact CD2-CG 3.63Å
603F90.6Very high89Confident21 Ų2165.5 Ų65.59%0.09234%0.341CS..EExtended strand (participates in β ladder)trans-123.3156.6174.5-41.2-69.8000109.2Y581 I589 Q591 R601 C634 G635Y581-F603 HydrophobicContact CE1-CE2 4.3Å; I589-F603 HydrophobicContact CB-CB 4.27Å; I589-F603 HydrophobicContact CB-CD2 4.21Å; I589-F603 HydrophobicContact CG2-CD2 4.04Å; I589-F603 PolarHBondContact N-O 3.07Å; I589-F603 PolarHBondContact O-N 2.73Å; Q591-F603 HydrophobicContact CB-CE2 4.31Å; R601-F603 HydrophobicContact CB-CE1 4.02Å; R601-F603 HydrophobicContact CB-CE2 4.25Å; R601-F603 HydrophobicContact CB-CZ 3.69Å; R601-F603 HydrophobicContact CG-CZ 4.41Å; F603-C634 WeakPolarHBondContact CE1-O 3.34Å; F603-G635 VanDerWaalsContact CD1-CA 3.49Å
604H93Very high89.2Confident130 Ų13069.6 Ų69.660%0.60236%0.355SS*.EExtended strand (participates in β ladder)trans-131.3124.4172.9-178.670.7000109D586D586-H604 PolarHBondContact O-CE1 3.01Å; D586-H604 VanDerWaalsContact O-CE1 3.31Å
605L91.6Very high89.5Confident8 Ų870 Ų704%0.04236%0.358CS..  trans-106.7120.5177.7179.858.5000109.1G587 I589 C607 C622 C624 V629 L631G587-L605 PolarHBondContact O-N 3.3Å; I589-L605 HydrophobicContact CD1-CB 4.48Å; L605-C607 PolarHBondContact O-N 3.21Å; L605-C607 VanDerWaalsContact O-N 3.12Å; L605-C622 HydrophobicContact CD2-CB 3.72Å; L605-C624 WeakPolarHBondContact CD2-SG 3.41Å; L605-V629 HydrophobicContact CD1-CG1 4.17Å; L605-V629 HydrophobicContact CD2-CB 4.19Å; L605-V629 HydrophobicContact CD2-CG2 4.35Å; L605-L631 HydrophobicContact CD1-CD2 4.15Å
606S89.2Confident89.6Confident96 Ų9669.7 Ų69.767%0.67134%0.341SS*.  trans-70.6107.2176.2-171.40000110.3
607C87.6Confident89.4Confident27 Ų2771.9 Ų71.918%0.18235%0.351CS..  trans-157.9165.2171.957.50000111.1L605 C624L605-C607 PolarHBondContact O-N 3.21Å; L605-C607 VanDerWaalsContact O-N 3.12Å; C607-C624 HydrophobicContact CB-CB 3.54Å; C607-C624 VanDerWaalsContact SG-SG 3.63Å
608D84.3Confident88.9Confident153 Ų15370.8 Ų70.882%0.81835%0.346SS*.SBendtrans-70.2-45.8178.9-68.4-10.7000111.9
609R91Very high88.9Confident127 Ų12768.3 Ų68.348%0.47934%0.337SS..  trans-148.9119.4174.9-170.2175.6-173.3171.12.5111.6E563 C585 C611 C624E563-R609 IonicContact OE1-NH2 3.2Å; E563-R609 IonicContact OE2-CZ 2.7Å; E563-R609 IonicContact OE2-NH2 3.83Å; E563-R609 PolarHBondContact OE2-NH2 3.24Å; C585-R609 HydrophobicContact CB-CG 4.11Å; C585-R609 WeakPolarHBondContact O-CA 3.34Å; R609-C611 PolarHBondContact O-N 3.36Å; R609-C624 CarbonylContact O-C 3.52Å; R609-C624 VanDerWaalsContact O-CA 3.27Å; R609-C624 WeakPolarHBondContact O-CA 3.38Å
610L94.2Very high88.8Confident0 Ų065.7 Ų65.70%032%0.321CS..  trans-82.7107.4171178.554.3000109.8T565 C583 S584 C585 I589 C622 C623T565-L610 VanDerWaalsContact CB-O 3.26Å; T565-L610 WeakPolarHBondContact CB-O 3.43Å; T565-L610 WeakPolarHBondContact CG2-O 3.13Å; T565-L610 PolarHBondContact OG1-O 3.5Å; C583-L610 HydrophobicContact CB-CD2 3.54Å; C583-L610 HydrophobicContact CB-CG 4.01Å; S584-L610 WeakPolarHBondContact O-CB 3.5Å; C585-L610 PolarHBondContact O-N 2.73Å; C585-L610 VanDerWaalsContact O-N 3.08Å; I589-L610 HydrophobicContact CD1-CD2 4.03Å; I589-L610 HydrophobicContact CG1-CD2 3.72Å; L610-C622 HydrophobicContact CD1-CB 3.72Å; L610-C623 WeakPolarHBondContact CD1-O 3.4Å
611C92.4Very high89Confident44 Ų4461.6 Ų61.630%0.29730%0.303SS..  trans-87.8-36.3-171.8-63.50000113.9R609 C623R609-C611 PolarHBondContact O-N 3.36Å; C611-C623 HydrophobicContact CB-CB 4.46Å; C611-C623 PolarHBondContact N-O 3.24Å
612S93.2Very high89.2Confident30 Ų3055.4 Ų55.421%0.2128%0.28CS..EExtended strand (participates in β ladder)trans-161.4160.8179.358.10000112.2C623S612-C623 PolarHBondContact O-N 2.89Å; S612-C623 WeakPolarHBondContact OG-CB 3.21Å
613I93.6Very high89.2Confident5 Ų549 Ų493%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-132.6141.7176.2-169.1169.4000109.9C583 I589 L620 W621C583-I613 HydrophobicContact CB-CB 4.27Å; C583-I613 HydrophobicContact CB-CG2 4.14Å; C583-I613 VanDerWaalsContact SG-CG2 3.53Å; I589-I613 HydrophobicContact CD1-CD1 4.3Å; I589-I613 HydrophobicContact CG2-CD1 3.78Å; I613-L620 HydrophobicContact CD1-CD2 4.14Å; I613-L620 HydrophobicContact CG1-CD2 4.35Å; I613-W621 CarbonylContact C-O 3.04Å; I613-W621 WeakPolarHBondContact CA-O 3.17Å
614R90.8Very high89.2Confident106 Ų10648.1 Ų48.140%0.425%0.246SC..EExtended strand (participates in β ladder)trans-138.3145.9168.5-66.3-153.8-169.8-95.68.5111.2Y616 W621 F657R614-Y616 HydrophobicContact CB-CD2 4.23Å; R614-Y616 HydrophobicContact CB-CE2 3.71Å; R614-Y616 HydrophobicContact CG-CE2 4.47Å; R614-W621 PolarHBondContact N-O 3.07Å; R614-W621 PolarHBondContact O-N 2.94Å; R614-F657 HydrophobicContact CB-CE2 4.42Å; R614-F657 HydrophobicContact CB-CZ 4.07Å; R614-F657 HydrophobicContact CG-CZ 4.19Å
615S87.6Confident88.8Confident16 Ų1642.4 Ų42.411%0.11222%0.223CC..EExtended strand (participates in β ladder)trans-108.6131.2172.9-1670000110.4S568 I619S568-S615 WeakPolarHBondContact OG-CB 3.37Å; S568-S615 PolarHBondContact OG-N 3.27Å; S615-I619 VanDerWaalsContact CA-O 3.32Å; S615-I619 WeakPolarHBondContact CA-O 3.06Å
616Y82.8Confident88.5Confident68 Ų6845.5 Ų45.527%0.26724%0.239SC..EExtended strand (participates in β ladder)trans-135.4125.6172.8-69.6-82000108.4R614 G618 I619 V659 P661R614-Y616 HydrophobicContact CB-CD2 4.23Å; R614-Y616 HydrophobicContact CB-CE2 3.71Å; R614-Y616 HydrophobicContact CG-CE2 4.47Å; Y616-G618 PolarHBondContact O-N 3.19Å; Y616-G618 VanDerWaalsContact O-N 3.1Å; Y616-I619 PolarHBondContact N-O 2.73Å; Y616-I619 WeakPolarHBondContact O-CA 3.49Å; Y616-I619 WeakPolarHBondContact O-CB 3.27Å; Y616-I619 PolarHBondContact O-N 2.72Å; Y616-V659 HydrophobicContact CD2-CB 3.66Å; Y616-V659 HydrophobicContact CD2-CG1 4.42Å; Y616-V659 HydrophobicContact CD2-CG2 3.86Å; Y616-V659 HydrophobicContact CE2-CB 3.76Å; Y616-V659 HydrophobicContact CE2-CG2 3.92Å; Y616-V659 HydrophobicContact CG-CB 4.18Å; Y616-P661 HydrophobicContact CD1-CG 4.39Å; Y616-P661 HydrophobicContact CG-CG 4.47Å
617D76.6Confident88.5Confident119 Ų11941 Ų4164%0.63621%0.208SC*.THydrogen-bonded Turntrans47.240.5179.5-62.6-23.5000114.3I619D617-I619 PolarHBondContact O-N 3.36Å
618G76.5Confident88.7Confident4 Ų439.7 Ų39.74%0.04120%0.199CC..THydrogen-bonded Turntrans74.46.4-179.600000115.3Y616 K633Y616-G618 PolarHBondContact O-N 3.19Å; Y616-G618 VanDerWaalsContact O-N 3.1Å; G618-K633 VanDerWaalsContact O-CE 3.3Å; G618-K633 WeakPolarHBondContact O-CE 3.36Å; G618-K633 WeakPolarHBondContact O-CG 3.29Å
619I85.6Confident89.1Confident64 Ų6432.4 Ų32.433%0.32816%0.16SC..EExtended strand (participates in β ladder)trans-99.3135.1172-57.3176.1000108.8S615 Y616 D617 E630S615-I619 VanDerWaalsContact CA-O 3.32Å; S615-I619 WeakPolarHBondContact CA-O 3.06Å; Y616-I619 PolarHBondContact N-O 2.73Å; Y616-I619 WeakPolarHBondContact O-CA 3.49Å; Y616-I619 WeakPolarHBondContact O-CB 3.27Å; Y616-I619 PolarHBondContact O-N 2.72Å; D617-I619 PolarHBondContact O-N 3.36Å; I619-E630 HydrophobicContact CG2-CG 3.43Å; I619-E630 VanDerWaalsContact CG2-CG 3.43Å; I619-E630 WeakPolarHBondContact CG2-OE1 3.3Å
620L90.8Very high89.2Confident3 Ų326.4 Ų26.42%0.01614%0.137CC..EExtended strand (participates in β ladder)trans-99.9130177.3-70.2171.5000110.5Y581 I613 L631Y581-L620 HydrophobicContact CD1-CD1 3.76Å; Y581-L620 HydrophobicContact CD1-CD2 4.31Å; Y581-L620 HydrophobicContact CD2-CD2 3.84Å; Y581-L620 HydrophobicContact CE1-CD1 3.55Å; Y581-L620 HydrophobicContact CE1-CD2 4.45Å; Y581-L620 HydrophobicContact CE1-CG 4.5Å; Y581-L620 HydrophobicContact CE2-CD1 4.44Å; Y581-L620 HydrophobicContact CE2-CD2 4Å; Y581-L620 HydrophobicContact CG-CD1 4.29Å; Y581-L620 HydrophobicContact CG-CD2 3.99Å; I613-L620 HydrophobicContact CD1-CD2 4.14Å; I613-L620 HydrophobicContact CG1-CD2 4.35Å; L620-L631 HydrophobicContact CB-CB 4.13Å; L620-L631 PolarHBondContact N-O 3.27Å; L620-L631 PolarHBondContact O-N 2.84Å
621W93.1Very high89Confident8 Ų826.5 Ų26.53%0.0314%0.138CC..EExtended strand (participates in β ladder)trans-115.2130.6175.8-68.582.3000109.6I613 R614 I628 V629 E630 I641 F657 V659 V666I613-W621 CarbonylContact C-O 3.04Å; I613-W621 WeakPolarHBondContact CA-O 3.17Å; R614-W621 PolarHBondContact N-O 3.07Å; R614-W621 PolarHBondContact O-N 2.94Å; W621-I628 HydrophobicContact CE3-CG2 3.84Å; W621-I628 HydrophobicContact CZ3-CG2 4.36Å; W621-V629 WeakPolarHBondContact CA-O 3.18Å; W621-E630 HydrophobicContact CD2-CB 4.28Å; W621-E630 HydrophobicContact CD2-CG 4.35Å; W621-E630 HydrophobicContact CE3-CB 4.09Å; W621-E630 HydrophobicContact CH2-CB 4.03Å; W621-E630 HydrophobicContact CH2-CG 4.24Å; W621-E630 HydrophobicContact CZ2-CB 4.2Å; W621-E630 HydrophobicContact CZ2-CG 3.93Å; W621-E630 HydrophobicContact CZ3-CB 3.97Å; W621-I641 HydrophobicContact CZ3-CD1 4.32Å; W621-F657 HydrophobicContact CB-CE2 3.45Å; W621-F657 VanDerWaalsContact CB-CE2 3.45Å; W621-F657 HydrophobicContact CB-CZ 3.63Å; W621-F657 HydrophobicContact CG-CE2 4.26Å; W621-V659 HydrophobicContact CB-CG2 4.45Å; W621-V659 HydrophobicContact CD2-CG2 3.95Å; W621-V659 HydrophobicContact CG-CG2 3.88Å; W621-V666 HydrophobicContact CH2-CG2 3.92Å; W621-V666 HydrophobicContact CZ2-CG2 4.45Å; W621-V666 HydrophobicContact CZ3-CG2 4.06Å
622C94.4Very high88.6Confident0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-122.2130.9-174.1-64.50000110.2L605 L610 I628 V629 L631L605-C622 HydrophobicContact CD2-CB 3.72Å; L610-C622 HydrophobicContact CD1-CB 3.72Å; C622-I628 CarbonylContact O-C 3.59Å; C622-I628 VanDerWaalsContact O-CA 3.3Å; C622-I628 WeakPolarHBondContact O-CA 3.43Å; C622-V629 PolarHBondContact N-O 3Å; C622-V629 PolarHBondContact O-N 3.23Å; C622-L631 WeakPolarHBondContact SG-CD1 3.26Å
623C93.9Very high87.8Confident0 Ų032.7 Ų32.70%016%0.156CC..EExtended strand (participates in β ladder)trans-96.9114.7173.1-176.70000110L610 C611 S612 F657L610-C623 WeakPolarHBondContact CD1-O 3.4Å; C611-C623 HydrophobicContact CB-CB 4.46Å; C611-C623 PolarHBondContact N-O 3.24Å; S612-C623 PolarHBondContact O-N 2.89Å; S612-C623 WeakPolarHBondContact OG-CB 3.21Å; C623-F657 HydrophobicContact CB-CD1 3.84Å; C623-F657 HydrophobicContact CB-CE1 3.81Å
624C90.4Very high87Confident2 Ų236.4 Ų36.41%0.01418%0.181CC..  trans-102.916.6-173.4-66.50000113.8L605 C607 R609 D626 S627L605-C624 WeakPolarHBondContact CD2-SG 3.41Å; C607-C624 HydrophobicContact CB-CB 3.54Å; C607-C624 VanDerWaalsContact SG-SG 3.63Å; R609-C624 CarbonylContact O-C 3.52Å; R609-C624 VanDerWaalsContact O-CA 3.27Å; R609-C624 WeakPolarHBondContact O-CA 3.38Å; C624-D626 PolarHBondContact O-N 2.72Å; C624-S627 WeakPolarHBondContact CB-O 3.49Å; C624-S627 WeakPolarHBondContact CB-OG 3.33Å; C624-S627 PolarHBondContact N-O 2.85Å
625G85.3Confident86.5Confident11 Ų1132 Ų3211%0.11317%0.169CC..SBendtrans78.1-60.2-174.700000112.7L643 C653 F654G625-L643 WeakPolarHBondContact O-CD1 3.31Å; G625-C653 CarbonylContact O-C 3.42Å; G625-C653 WeakPolarHBondContact O-CA 3.32Å; G625-C653 WeakPolarHBondContact O-CB 3.33Å; G625-F654 PolarHBondContact O-N 3.07Å
626D84.2Confident86.4Confident72 Ų7233.2 Ų33.239%0.38518%0.18SC..SBendtrans-88.3-14179.275.5-24.7000113.8C624 L643C624-D626 PolarHBondContact O-N 2.72Å; D626-L643 WeakPolarHBondContact O-CD1 3.37Å; D626-L643 PolarHBondContact O-N 2.76Å
627S89.9Confident86.6Confident1 Ų134 Ų341%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-155.3158.9-170.957.40000112.4C624 I641C624-S627 WeakPolarHBondContact CB-O 3.49Å; C624-S627 WeakPolarHBondContact CB-OG 3.33Å; C624-S627 PolarHBondContact N-O 2.85Å; S627-I641 CarbonylContact C-O 3.59Å; S627-I641 WeakPolarHBondContact CA-O 3.41Å; S627-I641 WeakPolarHBondContact CB-O 3.47Å
628I92.4Very high87.1Confident0 Ų033 Ų330%019%0.185CC..EExtended strand (participates in β ladder)trans-116.3125168.5-64.2165.7000107.6W621 C622 R640 I641 F654 F657 T668W621-I628 HydrophobicContact CE3-CG2 3.84Å; W621-I628 HydrophobicContact CZ3-CG2 4.36Å; C622-I628 CarbonylContact O-C 3.59Å; C622-I628 VanDerWaalsContact O-CA 3.3Å; C622-I628 WeakPolarHBondContact O-CA 3.43Å; I628-R640 CarbonylContact O-C 3.57Å; I628-R640 WeakPolarHBondContact O-CA 3.28Å; I628-I641 HydrophobicContact CB-CB 4.23Å; I628-I641 PolarHBondContact N-O 2.95Å; I628-I641 PolarHBondContact O-N 2.83Å; I628-F654 HydrophobicContact CD1-CD1 4.3Å; I628-F654 HydrophobicContact CD1-CD2 4.29Å; I628-F654 HydrophobicContact CD1-CE1 4.49Å; I628-F654 HydrophobicContact CD1-CE2 4.48Å; I628-F654 HydrophobicContact CD1-CG 4.2Å; I628-F654 HydrophobicContact CG1-CD2 4.02Å; I628-F654 HydrophobicContact CG1-CE2 4.35Å; I628-F654 HydrophobicContact CG1-CG 4.28Å; I628-F657 HydrophobicContact CD1-CB 3.66Å; I628-F657 HydrophobicContact CD1-CG 4.1Å; I628-F657 HydrophobicContact CG2-CD2 4.5Å; I628-T668 HydrophobicContact CD1-CG2 3.21Å
629V92.9Very high87.5Confident0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-116.2128.6-172.7-172.10000110L605 W621 C622 L631 P637 R639 R640L605-V629 HydrophobicContact CD1-CG1 4.17Å; L605-V629 HydrophobicContact CD2-CB 4.19Å; L605-V629 HydrophobicContact CD2-CG2 4.35Å; W621-V629 WeakPolarHBondContact CA-O 3.18Å; C622-V629 PolarHBondContact N-O 3Å; C622-V629 PolarHBondContact O-N 3.23Å; V629-L631 HydrophobicContact CG1-CD2 3.81Å; V629-P637 HydrophobicContact CG1-CB 3.88Å; V629-R639 WeakPolarHBondContact CA-O 3.47Å; V629-R640 HydrophobicContact CG2-CG 4.18Å
630E92.1Very high87.7Confident1 Ų139.2 Ų39.21%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-88.2128.9168.2-173.8-169.4-14200109.6I619 W621 Q638 R639I619-E630 HydrophobicContact CG2-CG 3.43Å; I619-E630 VanDerWaalsContact CG2-CG 3.43Å; I619-E630 WeakPolarHBondContact CG2-OE1 3.3Å; W621-E630 HydrophobicContact CD2-CB 4.28Å; W621-E630 HydrophobicContact CD2-CG 4.35Å; W621-E630 HydrophobicContact CE3-CB 4.09Å; W621-E630 HydrophobicContact CH2-CB 4.03Å; W621-E630 HydrophobicContact CH2-CG 4.24Å; W621-E630 HydrophobicContact CZ2-CB 4.2Å; W621-E630 HydrophobicContact CZ2-CG 3.93Å; W621-E630 HydrophobicContact CZ3-CB 3.97Å; E630-Q638 PolarHBondContact O-N 3.43Å; E630-R639 HydrophobicContact CB-CB 4.21Å; E630-R639 PolarHBondContact N-O 3.45Å; E630-R639 IonicContact OE1-CZ 3.51Å; E630-R639 IonicContact OE1-NE 2.71Å; E630-R639 IonicContact OE1-NH2 3.09Å; E630-R639 PolarHBondContact OE1-NH2 2.76Å; E630-R639 IonicContact OE2-CZ 2.88Å; E630-R639 VanDerWaalsContact OE2-CZ 3.27Å; E630-R639 IonicContact OE2-NE 2.87Å; E630-R639 PolarHBondContact OE2-NE 2.85Å; E630-R639 IonicContact OE2-NH2 2.98Å; E630-R639 PolarHBondContact OE2-NH2 2.94Å; E630-R639 VanDerWaalsContact OE2-NH2 3.09Å
631L90.5Very high87.6Confident2 Ų239.2 Ų39.21%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-113.4140178.1-56-177.9000111.1I589 L605 L620 C622 V629 P637I589-L631 HydrophobicContact CD1-CD1 3.49Å; I589-L631 VanDerWaalsContact CD1-CD1 3.49Å; L605-L631 HydrophobicContact CD1-CD2 4.15Å; L620-L631 HydrophobicContact CB-CB 4.13Å; L620-L631 PolarHBondContact N-O 3.27Å; L620-L631 PolarHBondContact O-N 2.84Å; C622-L631 WeakPolarHBondContact SG-CD1 3.26Å; V629-L631 HydrophobicContact CG1-CD2 3.81Å; L631-P637 HydrophobicContact CD2-CB 4.06Å
632K83.3Confident87.3Confident105 Ų10541.6 Ų41.646%0.45722%0.219SC..  trans-70.2162.9166.8-67.6-179.5-178.5-179.20110.6C634 G635 A636 Q638K632-C634 VanDerWaalsContact CB-SG 3.59Å; K632-C634 PolarHBondContact O-N 2.89Å; K632-G635 WeakPolarHBondContact O-CA 3.45Å; K632-G635 PolarHBondContact O-N 3.32Å; K632-A636 PolarHBondContact N-O 3.36Å; K632-Q638 HydrophobicContact CG-CB 4.2Å
633K76.8Confident86.5Confident100 Ų10041.9 Ų41.944%0.43522%0.22SC..THydrogen-bonded Turntrans-56-19171.4-68-167.8176.1-1660114.5R601 G618 G635R601-K633 PolarHBondContact NH1-O 2.91Å; G618-K633 VanDerWaalsContact O-CE 3.3Å; G618-K633 WeakPolarHBondContact O-CE 3.36Å; G618-K633 WeakPolarHBondContact O-CG 3.29Å; K633-G635 VanDerWaalsContact C-N 3.35Å
634C76.4Confident85.6Confident82 Ų8242.7 Ų42.755%0.55423%0.226SC*.THydrogen-bonded Turntrans-86.5-0.9173.861.30000114.1F603 K632 A636F603-C634 WeakPolarHBondContact CE1-O 3.34Å; K632-C634 VanDerWaalsContact CB-SG 3.59Å; K632-C634 PolarHBondContact O-N 2.89Å; C634-A636 VanDerWaalsContact C-N 3.31Å
635G81Confident84.7Confident14 Ų1448.3 Ų48.314%0.14426%0.255CS..SBendtrans84.2-3.5-177.700000114.8F603 K632 K633F603-G635 VanDerWaalsContact CD1-CA 3.49Å; K632-G635 WeakPolarHBondContact O-CA 3.45Å; K632-G635 PolarHBondContact O-N 3.32Å; K633-G635 VanDerWaalsContact C-N 3.35Å
636A85.1Confident83.8Confident42 Ų4252.2 Ų52.235%0.34727%0.273SS..  trans-73.2133.7178.500000111.4K632 C634 Q638K632-A636 PolarHBondContact N-O 3.36Å; C634-A636 VanDerWaalsContact C-N 3.31Å; A636-Q638 PolarHBondContact O-N 3.48Å
637P87.6Confident82.8Confident84 Ų8449.7 Ų49.755%0.54526%0.26SS..EExtended strand (participates in β ladder)trans-67132.5174.928.6-33.6000110.5V629 L631V629-P637 HydrophobicContact CG1-CB 3.88Å; L631-P637 HydrophobicContact CD2-CB 4.06Å
638Q86.1Confident81.4Confident99 Ų9956.1 Ų56.146%0.46328%0.284SS..EExtended strand (participates in β ladder)trans-107.5-52-177.7-175.3171.8-34.600111.7E630 K632 A636E630-Q638 PolarHBondContact O-N 3.43Å; K632-Q638 HydrophobicContact CG-CB 4.2Å; A636-Q638 PolarHBondContact O-N 3.48Å
639R86.1Confident79.6Confident82 Ų8260 Ų6031%0.30931%0.312SS..EExtended strand (participates in β ladder)trans-135.3151.7179.4-70.1-179.1-66.2-169.6-7.1110.1V629 E630 T681 L684V629-R639 WeakPolarHBondContact CA-O 3.47Å; E630-R639 HydrophobicContact CB-CB 4.21Å; E630-R639 PolarHBondContact N-O 3.45Å; E630-R639 IonicContact OE1-CZ 3.51Å; E630-R639 IonicContact OE1-NE 2.71Å; E630-R639 IonicContact OE1-NH2 3.09Å; E630-R639 PolarHBondContact OE1-NH2 2.76Å; E630-R639 IonicContact OE2-CZ 2.88Å; E630-R639 VanDerWaalsContact OE2-CZ 3.27Å; E630-R639 IonicContact OE2-NE 2.87Å; E630-R639 PolarHBondContact OE2-NE 2.85Å; E630-R639 IonicContact OE2-NH2 2.98Å; E630-R639 PolarHBondContact OE2-NH2 2.94Å; E630-R639 VanDerWaalsContact OE2-NH2 3.09Å; R639-T681 PolarHBondContact NH1-O 3.08Å; R639-L684 HydrophobicContact CB-CD1 3.74Å; R639-L684 HydrophobicContact CG-CD1 4.25Å
640R89.1Confident77.7Confident116 Ų11668.7 Ų68.744%0.43835%0.354SS..EExtended strand (participates in β ladder)trans-135.7126.1178.8-177.6175.5-68.9-159.3-4.6110I628 V629 V642I628-R640 CarbonylContact O-C 3.57Å; I628-R640 WeakPolarHBondContact O-CA 3.28Å; V629-R640 HydrophobicContact CG2-CG 4.18Å; R640-V642 HydrophobicContact CG-CG2 3.95Å
641I88.6Confident75.9Confident2 Ų273.4 Ų73.41%0.0139%0.385CS..EExtended strand (participates in β ladder)trans-97126.2169-55.2175000106.4W621 S627 I628 F654 V666 W679 L684W621-I641 HydrophobicContact CZ3-CD1 4.32Å; S627-I641 CarbonylContact C-O 3.59Å; S627-I641 WeakPolarHBondContact CA-O 3.41Å; S627-I641 WeakPolarHBondContact CB-O 3.47Å; I628-I641 HydrophobicContact CB-CB 4.23Å; I628-I641 PolarHBondContact N-O 2.95Å; I628-I641 PolarHBondContact O-N 2.83Å; I641-F654 HydrophobicContact CG2-CZ 4.39Å; I641-V666 HydrophobicContact CD1-CB 4.24Å; I641-V666 HydrophobicContact CD1-CG1 4.05Å; I641-V666 HydrophobicContact CD1-CG2 4.47Å; I641-W679 HydrophobicContact CD1-CB 4.36Å; I641-W679 HydrophobicContact CD1-CG 4.22Å; I641-W679 HydrophobicContact CG2-CD2 3.59Å; I641-W679 VanDerWaalsContact CG2-CE2 3.45Å; I641-W679 HydrophobicContact CG2-CE3 3.77Å; I641-W679 HydrophobicContact CG2-CG 4.26Å; I641-W679 HydrophobicContact CG2-CH2 3.68Å; I641-W679 HydrophobicContact CG2-CZ2 3.52Å; I641-W679 HydrophobicContact CG2-CZ3 3.81Å; I641-L684 HydrophobicContact CD1-CD1 4.35Å; I641-L684 HydrophobicContact CD1-CD2 3.66Å; I641-L684 HydrophobicContact CG1-CB 4.39Å; I641-L684 HydrophobicContact CG1-CD1 3.94Å; I641-L684 HydrophobicContact CG1-CD2 3.84Å; I641-L684 HydrophobicContact CG1-CG 4.29Å
642V86.7Confident74.8Confident59 Ų5974.5 Ų74.536%0.35839%0.393SS..EExtended strand (participates in β ladder)trans-111149.4178.9-173.80000108.8R640R640-V642 HydrophobicContact CG-CG2 3.95Å
643L78.3Confident74.8Confident6 Ų671.8 Ų71.83%0.03139%0.386CS..  trans-52.7132.1172.5-94.4110.8000111.1G625 D626 L647 R648 F654G625-L643 WeakPolarHBondContact O-CD1 3.31Å; D626-L643 WeakPolarHBondContact O-CD1 3.37Å; D626-L643 PolarHBondContact O-N 2.76Å; L643-L647 HydrophobicContact CD2-CB 4.14Å; L643-R648 HydrophobicContact CB-CG 4.32Å; L643-R648 PolarHBondContact O-NE 3.34Å; L643-R648 PolarHBondContact O-NH2 2.95Å; L643-F654 HydrophobicContact CB-CE2 4.41Å; L643-F654 HydrophobicContact CB-CZ 4.5Å; L643-F654 HydrophobicContact CD1-CD2 3.48Å; L643-F654 VanDerWaalsContact CD1-CD2 3.48Å; L643-F654 HydrophobicContact CD1-CE2 3.57Å; L643-F654 HydrophobicContact CD1-CG 4Å; L643-F654 HydrophobicContact CD1-CZ 4.15Å; L643-F654 HydrophobicContact CG-CD2 4.1Å; L643-F654 HydrophobicContact CG-CE1 4.24Å; L643-F654 HydrophobicContact CG-CE2 3.76Å; L643-F654 HydrophobicContact CG-CG 4.49Å; L643-F654 HydrophobicContact CG-CZ 3.84Å
644P75Confident75.4Confident17 Ų1767.1 Ų67.111%0.1137%0.366CS..  trans-53140.8171.9-27.235.3000112D646 L647 R648 W679 P688P644-D646 WeakPolarHBondContact CB-OD1 3.26Å; P644-D646 PolarHBondContact O-N 2.69Å; P644-D646 VanDerWaalsContact O-N 3.14Å; P644-L647 HydrophobicContact CB-CD1 4.44Å; P644-L647 HydrophobicContact CG-CD1 4.18Å; P644-L647 PolarHBondContact O-N 3.4Å; P644-R648 PolarHBondContact O-N 3.43Å; P644-W679 HydrophobicContact CG-CH2 3.93Å; P644-W679 HydrophobicContact CG-CZ2 4.17Å; P644-P688 HydrophobicContact CG-CG 3.96Å
645D70.7Confident76Confident120 Ų12064.5 Ų64.564%0.64235%0.349SS*.G310 helixtrans-58.6-30.4-172.5-67-39.7000113.6R648D645-R648 WeakPolarHBondContact O-CB 3.49Å; D645-R648 PolarHBondContact O-N 2.75Å; D645-R648 IonicContact OD1-CZ 2.65Å; D645-R648 IonicContact OD1-NE 2.8Å; D645-R648 IonicContact OD1-NH1 3.26Å; D645-R648 PolarHBondContact OD1-NH1 2.75Å; D645-R648 IonicContact OD1-NH2 2.96Å; D645-R648 PolarHBondContact OD1-NH2 3.26Å
646D66.4Low76.5Confident92 Ų9264.5 Ų64.549%0.49235%0.347SS..G310 helixtrans-77.5-19.8178.365.3-52.4000113.8P644 R690P644-D646 WeakPolarHBondContact CB-OD1 3.26Å; P644-D646 PolarHBondContact O-N 2.69Å; P644-D646 VanDerWaalsContact O-N 3.14Å; D646-R690 IonicContact OD1-CZ 3.8Å; D646-R690 IonicContact OD1-NH2 2.76Å; D646-R690 PolarHBondContact OD1-NH2 2.85Å; D646-R690 IonicContact OD2-CZ 3.28Å; D646-R690 IonicContact OD2-NH1 3.2Å; D646-R690 PolarHBondContact OD2-NH1 2.86Å; D646-R690 IonicContact OD2-NH2 3.94Å; D646-R690 PolarHBondContact OD2-NH2 3.37Å
647L63.2Low76.9Confident19 Ų1962.7 Ų62.710%0.09933%0.331CS..G310 helixtrans-89.6-7.2169.9-66175.5000112L643 P644 S649 S652L643-L647 HydrophobicContact CD2-CB 4.14Å; P644-L647 HydrophobicContact CB-CD1 4.44Å; P644-L647 HydrophobicContact CG-CD1 4.18Å; P644-L647 PolarHBondContact O-N 3.4Å; L647-S649 PolarHBondContact O-N 3.09Å; L647-S649 VanDerWaalsContact O-N 3.13Å; L647-S652 WeakPolarHBondContact O-CB 3.45Å; L647-S652 PolarHBondContact O-OG 2.68Å
648R61.1Low77.2Confident136 Ų13658.9 Ų58.951%0.51331%0.306SS..  trans-76.315.1176.5-65.8-172.4-166155.717.4114.3L643 P644 D645 M650L643-R648 HydrophobicContact CB-CG 4.32Å; L643-R648 PolarHBondContact O-NE 3.34Å; L643-R648 PolarHBondContact O-NH2 2.95Å; P644-R648 PolarHBondContact O-N 3.43Å; D645-R648 WeakPolarHBondContact O-CB 3.49Å; D645-R648 PolarHBondContact O-N 2.75Å; D645-R648 IonicContact OD1-CZ 2.65Å; D645-R648 IonicContact OD1-NE 2.8Å; D645-R648 IonicContact OD1-NH1 3.26Å; D645-R648 PolarHBondContact OD1-NH1 2.75Å; D645-R648 IonicContact OD1-NH2 2.96Å; D645-R648 PolarHBondContact OD1-NH2 3.26Å; R648-M650 PolarHBondContact O-N 2.9Å
649S54.1Low77.4Confident83 Ų8354.5 Ų54.558%0.5829%0.286SS*.SBendtrans-60.9130.6164.356.60000108.8L647 S652L647-S649 PolarHBondContact O-N 3.09Å; L647-S649 VanDerWaalsContact O-N 3.13Å; S649-S652 PolarHBondContact O-N 3.09Å; S649-S652 PolarHBondContact O-OG 3.42Å
650M53Low77.6Confident182 Ų18250.6 Ų50.690%0.89727%0.271SS*.THydrogen-bonded Turntrans-50.8129.9-175.4-71.9-75-70.100112.3R648R648-M650 PolarHBondContact O-N 2.9Å
651P54.8Low77.4Confident99 Ų9947.4 Ų47.464%0.64327%0.265SS*.THydrogen-bonded Turncis-118.180.8-17.236.3-17.5000111.4
652S68.1Low77.3Confident26 Ų2653.1 Ų53.118%0.18229%0.292CS..  trans-71132.4175.2-55.60000112.3L647 S649L647-S652 WeakPolarHBondContact O-CB 3.45Å; L647-S652 PolarHBondContact O-OG 2.68Å; S649-S652 PolarHBondContact O-N 3.09Å; S649-S652 PolarHBondContact O-OG 3.42Å
653C83.1Confident77.4Confident47 Ų4754.1 Ų54.132%0.31829%0.289SS..  trans-130.8149.2173.657.10000111.5G625 S655 C670 S671G625-C653 CarbonylContact O-C 3.42Å; G625-C653 WeakPolarHBondContact O-CA 3.32Å; G625-C653 WeakPolarHBondContact O-CB 3.33Å; C653-S655 PolarHBondContact O-N 3.47Å; C653-C670 VanDerWaalsContact O-CA 3.29Å; C653-C670 WeakPolarHBondContact O-CA 3.28Å; C653-C670 WeakPolarHBondContact O-CB 3.26Å; C653-S671 PolarHBondContact O-N 2.6Å; C653-S671 VanDerWaalsContact O-N 3.11Å
654F88.8Confident77.8Confident2 Ų254.4 Ų54.41%0.00929%0.294CS..EExtended strand (participates in β ladder)trans-61.4120.7166.8-71.2-59.2000109G625 I628 I641 L643 T668 G669 W679G625-F654 PolarHBondContact O-N 3.07Å; I628-F654 HydrophobicContact CD1-CD1 4.3Å; I628-F654 HydrophobicContact CD1-CD2 4.29Å; I628-F654 HydrophobicContact CD1-CE1 4.49Å; I628-F654 HydrophobicContact CD1-CE2 4.48Å; I628-F654 HydrophobicContact CD1-CG 4.2Å; I628-F654 HydrophobicContact CG1-CD2 4.02Å; I628-F654 HydrophobicContact CG1-CE2 4.35Å; I628-F654 HydrophobicContact CG1-CG 4.28Å; I641-F654 HydrophobicContact CG2-CZ 4.39Å; L643-F654 HydrophobicContact CB-CE2 4.41Å; L643-F654 HydrophobicContact CB-CZ 4.5Å; L643-F654 HydrophobicContact CD1-CD2 3.48Å; L643-F654 VanDerWaalsContact CD1-CD2 3.48Å; L643-F654 HydrophobicContact CD1-CE2 3.57Å; L643-F654 HydrophobicContact CD1-CG 4Å; L643-F654 HydrophobicContact CD1-CZ 4.15Å; L643-F654 HydrophobicContact CG-CD2 4.1Å; L643-F654 HydrophobicContact CG-CE1 4.24Å; L643-F654 HydrophobicContact CG-CE2 3.76Å; L643-F654 HydrophobicContact CG-CG 4.49Å; L643-F654 HydrophobicContact CG-CZ 3.84Å; F654-T668 HydrophobicContact CD1-CG2 4.49Å; F654-T668 HydrophobicContact CE1-CG2 4.18Å; F654-T668 WeakPolarHBondContact CE1-OG1 3.4Å; F654-G669 WeakPolarHBondContact CA-O 3.45Å; F654-W679 HydrophobicContact CZ-CZ2 4.33Å
655S88.8Confident78.6Confident28 Ų2854.8 Ų54.820%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-89.2-37.7176.957.30000111.5C653 G669 V699C653-S655 PolarHBondContact O-N 3.47Å; S655-G669 PolarHBondContact N-O 3.28Å; S655-G669 PolarHBondContact OG-O 2.99Å; S655-V699 WeakPolarHBondContact CB-O 3.22Å; S655-V699 PolarHBondContact OG-O 2.65Å
656C91.4Very high79.6Confident14 Ų1449 Ų4910%0.09526%0.264CS..EExtended strand (participates in β ladder)trans-159.6160.7-175.656.70000112G669C656-G669 PolarHBondContact O-N 2.62Å
657F94.2Very high80.9Confident4 Ų444.7 Ų44.72%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-147158.3175.474.7-80000112.1R614 W621 C623 I628 V659 W667 T668R614-F657 HydrophobicContact CB-CE2 4.42Å; R614-F657 HydrophobicContact CB-CZ 4.07Å; R614-F657 HydrophobicContact CG-CZ 4.19Å; W621-F657 HydrophobicContact CB-CE2 3.45Å; W621-F657 VanDerWaalsContact CB-CE2 3.45Å; W621-F657 HydrophobicContact CB-CZ 3.63Å; W621-F657 HydrophobicContact CG-CE2 4.26Å; C623-F657 HydrophobicContact CB-CD1 3.84Å; C623-F657 HydrophobicContact CB-CE1 3.81Å; I628-F657 HydrophobicContact CD1-CB 3.66Å; I628-F657 HydrophobicContact CD1-CG 4.1Å; I628-F657 HydrophobicContact CG2-CD2 4.5Å; F657-V659 HydrophobicContact CD2-CG2 3.94Å; F657-V659 HydrophobicContact CE2-CG2 3.82Å; F657-W667 CarbonylContact C-O 3.53Å; F657-W667 WeakPolarHBondContact CA-O 3.48Å; F657-W667 WeakPolarHBondContact CB-O 3.15Å; F657-T668 HydrophobicContact CB-CG2 4.25Å
658I93.1Very high82.3Confident4 Ų443.8 Ų43.82%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-131.9136.9172.7-64.1170.3000108V660 V666 W667 M702 I703 R704 I709I658-V660 HydrophobicContact CG2-CG2 4.09Å; I658-V666 WeakPolarHBondContact O-CA 3.46Å; I658-W667 HydrophobicContact CB-CB 4.36Å; I658-W667 PolarHBondContact N-O 3.02Å; I658-W667 PolarHBondContact O-N 2.95Å; I658-M702 HydrophobicContact CD1-CB 3.65Å; I658-M702 HydrophobicContact CG1-CB 4.16Å; I658-I703 VanDerWaalsContact CD1-C 3.41Å; I658-R704 HydrophobicContact CD1-CB 4.3Å; I658-R704 HydrophobicContact CG2-CB 4.06Å; I658-I709 HydrophobicContact CD1-CG2 3.99Å
659V91.2Very high83.8Confident6 Ų637.3 Ų37.34%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-103.8135.3170.3-171.90000108.3Y616 W621 F657 P661 V666Y616-V659 HydrophobicContact CD2-CB 3.66Å; Y616-V659 HydrophobicContact CD2-CG1 4.42Å; Y616-V659 HydrophobicContact CD2-CG2 3.86Å; Y616-V659 HydrophobicContact CE2-CB 3.76Å; Y616-V659 HydrophobicContact CE2-CG2 3.92Å; Y616-V659 HydrophobicContact CG-CB 4.18Å; W621-V659 HydrophobicContact CB-CG2 4.45Å; W621-V659 HydrophobicContact CD2-CG2 3.95Å; W621-V659 HydrophobicContact CG-CG2 3.88Å; F657-V659 HydrophobicContact CD2-CG2 3.94Å; F657-V659 HydrophobicContact CE2-CG2 3.82Å; V659-P661 HydrophobicContact CG1-CG 4.07Å; V659-V666 HydrophobicContact CG1-CG2 4.4Å; V659-V666 HydrophobicContact CG2-CG2 4.46Å
660V90.6Very high85.4Confident0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-12281.4174.9-177.60000107.2I658 E662 R663 G664 Q665I658-V660 HydrophobicContact CG2-CG2 4.09Å; V660-E662 VanDerWaalsContact C-N 3.3Å; V660-E662 HydrophobicContact CG1-CG 4.16Å; V660-E662 PolarHBondContact O-N 3Å; V660-R663 HydrophobicContact CG1-CB 3.83Å; V660-R663 HydrophobicContact CG1-CG 3.81Å; V660-R663 PolarHBondContact O-N 2.86Å; V660-G664 PolarHBondContact O-N 3.24Å; V660-Q665 HydrophobicContact CB-CB 4.25Å; V660-Q665 PolarHBondContact N-O 3.08Å; V660-Q665 PolarHBondContact O-N 2.91Å; V660-Q665 VanDerWaalsContact O-N 3.07Å
661P84.9Confident86.8Confident49 Ų4925.5 Ų25.532%0.31815%0.146SC..G310 helixtrans-57.9-39.8-172.8-24.133.6000113.2Y616 V659 R663 G664Y616-P661 HydrophobicContact CD1-CG 4.39Å; Y616-P661 HydrophobicContact CG-CG 4.47Å; V659-P661 HydrophobicContact CG1-CG 4.07Å; P661-R663 PolarHBondContact O-N 3.46Å; P661-R663 VanDerWaalsContact O-N 3.16Å; P661-G664 PolarHBondContact O-N 2.95Å
662E86.3Confident88.1Confident123 Ų12324.5 Ų24.558%0.57514%0.135SC*.G310 helixtrans-66.3-18.2-177.666.6-92-135.500113.9V660 R704V660-E662 VanDerWaalsContact C-N 3.3Å; V660-E662 HydrophobicContact CG1-CG 4.16Å; V660-E662 PolarHBondContact O-N 3Å; E662-R704 VanDerWaalsContact CD-NH1 3.32Å; E662-R704 IonicContact OE1-CZ 2.91Å; E662-R704 IonicContact OE1-NH1 2.9Å; E662-R704 PolarHBondContact OE1-NH1 3.46Å; E662-R704 IonicContact OE1-NH2 2.93Å; E662-R704 PolarHBondContact OE1-NH2 2.87Å; E662-R704 IonicContact OE2-NH1 3.25Å; E662-R704 PolarHBondContact OE2-NH1 3.1Å
663R87.6Confident88.7Confident79 Ų7923.6 Ų23.630%0.29813%0.129SC..G310 helixtrans-106.9-0.8173.6-61.9-172.8-177.4-131.6-6.5112.6V660 P661 Q665 N707 L736 D737V660-R663 HydrophobicContact CG1-CB 3.83Å; V660-R663 HydrophobicContact CG1-CG 3.81Å; V660-R663 PolarHBondContact O-N 2.86Å; P661-R663 PolarHBondContact O-N 3.46Å; P661-R663 VanDerWaalsContact O-N 3.16Å; R663-Q665 VanDerWaalsContact C-N 3.32Å; R663-Q665 HydrophobicContact CB-CB 4.35Å; R663-Q665 HydrophobicContact CB-CG 4.03Å; R663-Q665 WeakPolarHBondContact O-CG 3.38Å; R663-Q665 PolarHBondContact O-N 2.89Å; R663-N707 PolarHBondContact NH2-OD1 3.32Å; R663-L736 PolarHBondContact NH1-O 3.3Å; R663-D737 IonicContact CZ-OD1 3.39Å; R663-D737 IonicContact NH1-OD1 2.65Å; R663-D737 PolarHBondContact NH1-OD1 2.7Å; R663-D737 IonicContact NH2-OD1 2.77Å; R663-D737 PolarHBondContact NH2-OD1 2.87Å
664G87.6Confident88.8Confident13 Ų1324.1 Ų24.113%0.13413%0.131CC..THydrogen-bonded Turntrans59.540.5-172.600000112.9V660 P661 Q680 T681V660-G664 PolarHBondContact O-N 3.24Å; P661-G664 PolarHBondContact O-N 2.95Å; G664-Q680 CarbonylContact O-C 3.6Å; G664-Q680 WeakPolarHBondContact O-CA 3.44Å; G664-Q680 PolarHBondContact O-OE1 2.94Å; G664-T681 WeakPolarHBondContact CA-OG1 3.45Å; G664-T681 PolarHBondContact O-N 3.12Å; G664-T681 PolarHBondContact O-OG1 3.37Å
665Q91.1Very high88.8Confident24 Ų2426.6 Ų26.611%0.11214%0.142CC..EExtended strand (participates in β ladder)trans-123.6143.5-171.4-74.9171.212.700113.1V660 R663 L678 W679V660-Q665 HydrophobicContact CB-CB 4.25Å; V660-Q665 PolarHBondContact N-O 3.08Å; V660-Q665 PolarHBondContact O-N 2.91Å; V660-Q665 VanDerWaalsContact O-N 3.07Å; R663-Q665 VanDerWaalsContact C-N 3.32Å; R663-Q665 HydrophobicContact CB-CB 4.35Å; R663-Q665 HydrophobicContact CB-CG 4.03Å; R663-Q665 WeakPolarHBondContact O-CG 3.38Å; R663-Q665 PolarHBondContact O-N 2.89Å; Q665-L678 HydrophobicContact CB-CD1 3.79Å; Q665-L678 HydrophobicContact CG-CD1 3.77Å; Q665-W679 WeakPolarHBondContact CA-O 3.48Å
666V92.6Very high88.9Confident0 Ų025.2 Ų25.20%013%0.133CC..EExtended strand (participates in β ladder)trans-122.7128.3167.4-175.80000108.5W621 I641 I658 V659 T668 W679 T681W621-V666 HydrophobicContact CH2-CG2 3.92Å; W621-V666 HydrophobicContact CZ2-CG2 4.45Å; W621-V666 HydrophobicContact CZ3-CG2 4.06Å; I641-V666 HydrophobicContact CD1-CB 4.24Å; I641-V666 HydrophobicContact CD1-CG1 4.05Å; I641-V666 HydrophobicContact CD1-CG2 4.47Å; I658-V666 WeakPolarHBondContact O-CA 3.46Å; V659-V666 HydrophobicContact CG1-CG2 4.4Å; V659-V666 HydrophobicContact CG2-CG2 4.46Å; V666-T668 HydrophobicContact CG1-CG2 4.09Å; V666-W679 HydrophobicContact CB-CB 4.27Å; V666-W679 PolarHBondContact N-O 3.25Å; V666-W679 VanDerWaalsContact O-CD1 3.32Å; V666-W679 PolarHBondContact O-N 3.23Å; V666-T681 HydrophobicContact CG2-CG2 3.9Å
667W93.6Very high88.9Confident1 Ų124.7 Ų24.70%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-110.4133.3179.6-70.974.7000109.4F657 I658 L676 L678 I691 I709 L736 L739F657-W667 CarbonylContact C-O 3.53Å; F657-W667 WeakPolarHBondContact CA-O 3.48Å; F657-W667 WeakPolarHBondContact CB-O 3.15Å; I658-W667 HydrophobicContact CB-CB 4.36Å; I658-W667 PolarHBondContact N-O 3.02Å; I658-W667 PolarHBondContact O-N 2.95Å; W667-L676 HydrophobicContact CE3-CD1 4.27Å; W667-L676 HydrophobicContact CZ3-CD1 4.37Å; W667-L678 HydrophobicContact CD2-CD1 3.9Å; W667-L678 VanDerWaalsContact CE2-CD1 3.47Å; W667-L678 HydrophobicContact CG-CD1 4.05Å; W667-L678 HydrophobicContact CH2-CD2 4.43Å; W667-L678 HydrophobicContact CZ2-CD1 3.99Å; W667-L678 HydrophobicContact CZ2-CD2 3.97Å; W667-L678 HydrophobicContact CZ2-CG 4.46Å; W667-L678 VanDerWaalsContact NE1-CD1 3.3Å; W667-I691 HydrophobicContact CE3-CD1 4.31Å; W667-I691 HydrophobicContact CH2-CD1 3.38Å; W667-I691 HydrophobicContact CZ3-CD1 3.24Å; W667-I709 HydrophobicContact CB-CD1 4.28Å; W667-I709 HydrophobicContact CD2-CD1 3.23Å; W667-I709 VanDerWaalsContact CE2-CD1 3.44Å; W667-I709 HydrophobicContact CE3-CD1 3.49Å; W667-I709 VanDerWaalsContact CE3-CD1 3.49Å; W667-I709 HydrophobicContact CG-CD1 3.61Å; W667-I709 HydrophobicContact CH2-CD1 4.05Å; W667-I709 HydrophobicContact CZ2-CD1 3.87Å; W667-I709 HydrophobicContact CZ3-CD1 3.86Å; W667-L736 HydrophobicContact CZ2-CD2 3.84Å; W667-L739 HydrophobicContact CH2-CD2 3.47Å; W667-L739 VanDerWaalsContact CH2-CD2 3.47Å; W667-L739 HydrophobicContact CZ2-CD2 3.46Å; W667-L739 VanDerWaalsContact CZ2-CD2 3.46Å
668T93.3Very high88.8Confident0 Ų024.8 Ų24.80%013%0.13CC..EExtended strand (participates in β ladder)trans-135135.3-173.465.90000111.1I628 F654 F657 V666 C677 W679I628-T668 HydrophobicContact CD1-CG2 3.21Å; F654-T668 HydrophobicContact CD1-CG2 4.49Å; F654-T668 HydrophobicContact CE1-CG2 4.18Å; F654-T668 WeakPolarHBondContact CE1-OG1 3.4Å; F657-T668 HydrophobicContact CB-CG2 4.25Å; V666-T668 HydrophobicContact CG1-CG2 4.09Å; T668-C677 PolarHBondContact N-O 3.28Å; T668-C677 PolarHBondContact O-N 3.48Å; T668-C677 WeakPolarHBondContact OG1-CB 3.36Å; T668-C677 PolarHBondContact OG1-O 3.09Å; T668-W679 PolarHBondContact OG1-NE1 3.31Å
669G91.6Very high88.7Confident0 Ų025.3 Ų25.30%013%0.132CC..EExtended strand (participates in β ladder)trans-114.5149.3174.100000110.9F654 S655 C656 M702F654-G669 WeakPolarHBondContact CA-O 3.45Å; S655-G669 PolarHBondContact N-O 3.28Å; S655-G669 PolarHBondContact OG-O 2.99Å; C656-G669 PolarHBondContact O-N 2.62Å; G669-M702 VanDerWaalsContact N-CE 3.33Å
670C88.5Confident88.6Confident2 Ų228.8 Ų28.81%0.01415%0.147CC..EExtended strand (participates in β ladder)trans-118.3149176.8-57.60000110.9C653 D672 V699C653-C670 VanDerWaalsContact O-CA 3.29Å; C653-C670 WeakPolarHBondContact O-CA 3.28Å; C653-C670 WeakPolarHBondContact O-CB 3.26Å; C670-D672 PolarHBondContact O-N 3.4Å; C670-V699 PolarHBondContact O-N 2.91Å
671S82.5Confident88.2Confident15 Ų1529.6 Ų29.611%0.10515%0.153CC..THydrogen-bonded Turntrans-61.8-27.8-176-64.30000114.4C653 G698 R714C653-S671 PolarHBondContact O-N 2.6Å; C653-S671 VanDerWaalsContact O-N 3.11Å; S671-G698 VanDerWaalsContact O-CA 3.23Å; S671-G698 WeakPolarHBondContact O-CA 3.4Å; S671-R714 PolarHBondContact O-NH1 3.39Å; S671-R714 VanDerWaalsContact O-NH1 3.11Å
672D80.6Confident87.9Confident77 Ų7734.3 Ų34.341%0.41218%0.175SC..THydrogen-bonded Turntrans-127.117.1-170.3-47.7-49.2000112.1C670 R714C670-D672 PolarHBondContact O-N 3.4Å; D672-R714 IonicContact OD1-NH1 3.39Å; D672-R714 PolarHBondContact OD1-NH1 3Å
673S82.3Confident87.3Confident8 Ų832.2 Ų32.26%0.05617%0.168CC..  trans-113143.2176.7-175.60000111.5E675 G698S673-E675 VanDerWaalsContact C-N 3.25Å; S673-E675 PolarHBondContact OG-N 2.87Å; S673-E675 VanDerWaalsContact OG-N 3.14Å; S673-G698 WeakPolarHBondContact O-CA 3.3Å
674V84Confident86.5Confident57 Ų5729.2 Ų29.235%0.34516%0.158SC..SBendtrans-90.512.9172.9-54.50000112.1L693 T696V674-L693 VanDerWaalsContact O-CB 3.28Å; V674-L693 WeakPolarHBondContact O-CB 3.35Å; V674-L693 PolarHBondContact O-N 2.79Å; V674-T696 WeakPolarHBondContact CG1-O 3.42Å
675E88.4Confident85.6Confident54 Ų5436 Ų3625%0.25219%0.191SC..EExtended strand (participates in β ladder)trans-127.6144.3-177.5-56.3-173.6137.500111.6S673 R690 I691S673-E675 VanDerWaalsContact C-N 3.25Å; S673-E675 PolarHBondContact OG-N 2.87Å; S673-E675 VanDerWaalsContact OG-N 3.14Å; E675-R690 WeakPolarHBondContact OE2-CD 3.43Å; E675-R690 IonicContact OE2-NH1 3.03Å; E675-R690 PolarHBondContact OE2-NH1 2.81Å; E675-I691 CarbonylContact C-O 3.56Å; E675-I691 VanDerWaalsContact CA-O 3.29Å; E675-I691 WeakPolarHBondContact CA-O 3.48Å
676L91.4Very high84.8Confident0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-92.6142.6162.7-63.7-178.5000110.3W667 R690 I691 L693 V699 M702 V711 L734W667-L676 HydrophobicContact CE3-CD1 4.27Å; W667-L676 HydrophobicContact CZ3-CD1 4.37Å; L676-R690 WeakPolarHBondContact O-CA 3.39Å; L676-I691 HydrophobicContact CB-CB 4.46Å; L676-I691 PolarHBondContact N-O 2.9Å; L676-I691 PolarHBondContact O-N 2.94Å; L676-L693 HydrophobicContact CD1-CD2 4.17Å; L676-L693 HydrophobicContact CD2-CD1 4.14Å; L676-L693 HydrophobicContact CG-CD1 3.93Å; L676-L693 HydrophobicContact CG-CD2 4.12Å; L676-L693 HydrophobicContact CG-CG 4.22Å; L676-V699 HydrophobicContact CD2-CG1 4.41Å; L676-V699 HydrophobicContact CD2-CG2 3.89Å; L676-M702 HydrophobicContact CD1-SD 3.99Å; L676-M702 HydrophobicContact CD2-CE 4.3Å; L676-M702 HydrophobicContact CD2-SD 3.46Å; L676-M702 WeakPolarHBondContact CD2-SD 3.5Å; L676-M702 HydrophobicContact CG-SD 4.38Å; L676-V711 HydrophobicContact CD1-CG2 3.92Å; L676-L734 HydrophobicContact CD1-CD1 4.17Å; L676-L734 HydrophobicContact CD1-CD2 4.12Å
677C91.3Very high84.1Confident2 Ų245.4 Ų45.41%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-106129.1172.7-680000110.2T668 W679 P688T668-C677 PolarHBondContact N-O 3.28Å; T668-C677 PolarHBondContact O-N 3.48Å; T668-C677 WeakPolarHBondContact OG1-CB 3.36Å; T668-C677 PolarHBondContact OG1-O 3.09Å; C677-W679 HydrophobicContact CB-CZ2 4.2Å; C677-P688 HydrophobicContact CB-CB 3.79Å; C677-P688 HydrophobicContact CB-CG 4.07Å
678L92.1Very high83.8Confident6 Ų646.1 Ų46.13%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-108.6120.7176172.359000109.7Q665 W667 P688 K689 L739Q665-L678 HydrophobicContact CB-CD1 3.79Å; Q665-L678 HydrophobicContact CG-CD1 3.77Å; W667-L678 HydrophobicContact CD2-CD1 3.9Å; W667-L678 VanDerWaalsContact CE2-CD1 3.47Å; W667-L678 HydrophobicContact CG-CD1 4.05Å; W667-L678 HydrophobicContact CH2-CD2 4.43Å; W667-L678 HydrophobicContact CZ2-CD1 3.99Å; W667-L678 HydrophobicContact CZ2-CD2 3.97Å; W667-L678 HydrophobicContact CZ2-CG 4.46Å; W667-L678 VanDerWaalsContact NE1-CD1 3.3Å; L678-P688 CarbonylContact O-C 3.58Å; L678-P688 WeakPolarHBondContact O-CA 3.38Å; L678-K689 HydrophobicContact CB-CB 4.21Å; L678-K689 HydrophobicContact CD2-CD 4.46Å; L678-K689 PolarHBondContact N-O 3.31Å; L678-K689 PolarHBondContact O-N 3.32Å; L678-L739 HydrophobicContact CD2-CD1 4.31Å; L678-L739 HydrophobicContact CD2-CD2 4.22Å
679W90.8Very high83.5Confident15 Ų1551.6 Ų51.66%0.05728%0.275CS..EExtended strand (participates in β ladder)trans-112.1141.8-178.6-48.582.9000110I641 P644 F654 Q665 V666 T668 C677 L684 P688I641-W679 HydrophobicContact CD1-CB 4.36Å; I641-W679 HydrophobicContact CD1-CG 4.22Å; I641-W679 HydrophobicContact CG2-CD2 3.59Å; I641-W679 VanDerWaalsContact CG2-CE2 3.45Å; I641-W679 HydrophobicContact CG2-CE3 3.77Å; I641-W679 HydrophobicContact CG2-CG 4.26Å; I641-W679 HydrophobicContact CG2-CH2 3.68Å; I641-W679 HydrophobicContact CG2-CZ2 3.52Å; I641-W679 HydrophobicContact CG2-CZ3 3.81Å; P644-W679 HydrophobicContact CG-CH2 3.93Å; P644-W679 HydrophobicContact CG-CZ2 4.17Å; F654-W679 HydrophobicContact CZ-CZ2 4.33Å; Q665-W679 WeakPolarHBondContact CA-O 3.48Å; V666-W679 HydrophobicContact CB-CB 4.27Å; V666-W679 PolarHBondContact N-O 3.25Å; V666-W679 VanDerWaalsContact O-CD1 3.32Å; V666-W679 PolarHBondContact O-N 3.23Å; T668-W679 PolarHBondContact OG1-NE1 3.31Å; C677-W679 HydrophobicContact CB-CZ2 4.2Å; W679-L684 HydrophobicContact CB-CD2 4.01Å; W679-P688 HydrophobicContact CD2-CB 3.75Å; W679-P688 HydrophobicContact CD2-CG 4.4Å; W679-P688 HydrophobicContact CE3-CB 3.87Å; W679-P688 HydrophobicContact CE3-CG 4.27Å; W679-P688 HydrophobicContact CG-CB 4.36Å; W679-P688 HydrophobicContact CH2-CB 4.06Å; W679-P688 HydrophobicContact CH2-CG 3.62Å; W679-P688 HydrophobicContact CZ2-CB 3.91Å; W679-P688 HydrophobicContact CZ2-CG 3.73Å; W679-P688 HydrophobicContact CZ3-CB 4.02Å; W679-P688 HydrophobicContact CZ3-CG 3.9Å
680Q89Confident83.4Confident79 Ų7955.7 Ų55.737%0.36929%0.29SS..EExtended strand (participates in β ladder)trans-92.2126.8172.6-63.2-62-34.800109.3G664 D682 N683 L684G664-Q680 CarbonylContact O-C 3.6Å; G664-Q680 WeakPolarHBondContact O-CA 3.44Å; G664-Q680 PolarHBondContact O-OE1 2.94Å; Q680-D682 PolarHBondContact O-N 2.75Å; Q680-N683 CarbonylContact O-C 3.27Å; Q680-N683 VanDerWaalsContact O-C 3.27Å; Q680-N683 PolarHBondContact O-N 3.3Å; Q680-N683 VanDerWaalsContact O-N 3.15Å; Q680-L684 WeakPolarHBondContact O-CD2 3.11Å; Q680-L684 PolarHBondContact O-N 2.81Å
681T82.2Confident83.5Confident18 Ų1856.2 Ų56.211%0.1129%0.293CS..G310 helixtrans-58.8-33.8-178.649.90000111.9R639 G664 V666 N683R639-T681 PolarHBondContact NH1-O 3.08Å; G664-T681 WeakPolarHBondContact CA-OG1 3.45Å; G664-T681 PolarHBondContact O-N 3.12Å; G664-T681 PolarHBondContact O-OG1 3.37Å; V666-T681 HydrophobicContact CG2-CG2 3.9Å; T681-N683 VanDerWaalsContact C-N 3.26Å; T681-N683 PolarHBondContact O-N 2.82Å
682D78.5Confident83.8Confident147 Ų14759.3 Ų59.379%0.78631%0.314SS*.G310 helixtrans-71.2-25.1-175.6-57.9-9.8000112Q680Q680-D682 PolarHBondContact O-N 2.75Å
683N75.1Confident84.2Confident80 Ų8055.8 Ų55.843%0.42830%0.295SS..G310 helixtrans-147.777.9179.1-166.50.9000112.3Q680 T681 N685 Q686Q680-N683 CarbonylContact O-C 3.27Å; Q680-N683 VanDerWaalsContact O-C 3.27Å; Q680-N683 PolarHBondContact O-N 3.3Å; Q680-N683 VanDerWaalsContact O-N 3.15Å; T681-N683 VanDerWaalsContact C-N 3.26Å; T681-N683 PolarHBondContact O-N 2.82Å; N683-N685 PolarHBondContact O-N 2.83Å; N683-Q686 PolarHBondContact O-N 2.91Å
684L71Confident84.2Confident16 Ų1657.7 Ų57.78%0.08431%0.308CS..THydrogen-bonded Turntrans-69.7-9.6179.7-64.2175.3000114.2R639 I641 W679 Q680R639-L684 HydrophobicContact CB-CD1 3.74Å; R639-L684 HydrophobicContact CG-CD1 4.25Å; I641-L684 HydrophobicContact CD1-CD1 4.35Å; I641-L684 HydrophobicContact CD1-CD2 3.66Å; I641-L684 HydrophobicContact CG1-CB 4.39Å; I641-L684 HydrophobicContact CG1-CD1 3.94Å; I641-L684 HydrophobicContact CG1-CD2 3.84Å; I641-L684 HydrophobicContact CG1-CG 4.29Å; W679-L684 HydrophobicContact CB-CD2 4.01Å; Q680-L684 WeakPolarHBondContact O-CD2 3.11Å; Q680-L684 PolarHBondContact O-N 2.81Å
685N67.5Low83.7Confident156 Ų15657.6 Ų57.683%0.83432%0.318SS*.THydrogen-bonded Turntrans-85.7-11177.9-67.5-15.5000112.7N683N683-N685 PolarHBondContact O-N 2.83Å
686Q74.1Confident83.1Confident118 Ų11855.2 Ų55.255%0.55131%0.307SS*.SBendtrans-75.8149.2175.3-169.8171.14.900110.6N683N683-Q686 PolarHBondContact O-N 2.91Å
687S78.4Confident82.5Confident102 Ų10257 Ų5771%0.71332%0.319SS*.PPolyproline II helixtrans-57.7134.7174.352.10000110.8
688P86.5Confident82.2Confident17 Ų1756.9 Ų56.911%0.1132%0.319CS..PPolyproline II helixtrans-68.7146.8-17827.8-34.1000110.7P644 C677 L678 W679P644-P688 HydrophobicContact CG-CG 3.96Å; C677-P688 HydrophobicContact CB-CB 3.79Å; C677-P688 HydrophobicContact CB-CG 4.07Å; L678-P688 CarbonylContact O-C 3.58Å; L678-P688 WeakPolarHBondContact O-CA 3.38Å; W679-P688 HydrophobicContact CD2-CB 3.75Å; W679-P688 HydrophobicContact CD2-CG 4.4Å; W679-P688 HydrophobicContact CE3-CB 3.87Å; W679-P688 HydrophobicContact CE3-CG 4.27Å; W679-P688 HydrophobicContact CG-CB 4.36Å; W679-P688 HydrophobicContact CH2-CB 4.06Å; W679-P688 HydrophobicContact CH2-CG 3.62Å; W679-P688 HydrophobicContact CZ2-CB 3.91Å; W679-P688 HydrophobicContact CZ2-CG 3.73Å; W679-P688 HydrophobicContact CZ3-CB 4.02Å; W679-P688 HydrophobicContact CZ3-CG 3.9Å
689K88.6Confident82.2Confident114 Ų11456.6 Ų56.650%0.49632%0.317SS..EExtended strand (participates in β ladder)trans-70.8131.5166.1178.6174.4179.7177.60108.4L678 L739L678-K689 HydrophobicContact CB-CB 4.21Å; L678-K689 HydrophobicContact CD2-CD 4.46Å; L678-K689 PolarHBondContact N-O 3.31Å; L678-K689 PolarHBondContact O-N 3.32Å; K689-L739 HydrophobicContact CD-CD1 4.21Å
690R89.1Confident82.2Confident87 Ų8757 Ų5733%0.32832%0.322SS..EExtended strand (participates in β ladder)trans-104.2140.3-178.4-56.3-167.8-172.2-170.2-1.2111.6D646 E675 L676D646-R690 IonicContact OD1-CZ 3.8Å; D646-R690 IonicContact OD1-NH2 2.76Å; D646-R690 PolarHBondContact OD1-NH2 2.85Å; D646-R690 IonicContact OD2-CZ 3.28Å; D646-R690 IonicContact OD2-NH1 3.2Å; D646-R690 PolarHBondContact OD2-NH1 2.86Å; D646-R690 IonicContact OD2-NH2 3.94Å; D646-R690 PolarHBondContact OD2-NH2 3.37Å; E675-R690 WeakPolarHBondContact OE2-CD 3.43Å; E675-R690 IonicContact OE2-NH1 3.03Å; E675-R690 PolarHBondContact OE2-NH1 2.81Å; L676-R690 WeakPolarHBondContact O-CA 3.39Å
691I90.8Very high82.4Confident13 Ų1354 Ų547%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-127.7116-179.7-60.5162.4000107.5W667 E675 L676 L734 L739W667-I691 HydrophobicContact CE3-CD1 4.31Å; W667-I691 HydrophobicContact CH2-CD1 3.38Å; W667-I691 HydrophobicContact CZ3-CD1 3.24Å; E675-I691 CarbonylContact C-O 3.56Å; E675-I691 VanDerWaalsContact CA-O 3.29Å; E675-I691 WeakPolarHBondContact CA-O 3.48Å; L676-I691 HydrophobicContact CB-CB 4.46Å; L676-I691 PolarHBondContact N-O 2.9Å; L676-I691 PolarHBondContact O-N 2.94Å; I691-L734 HydrophobicContact CG2-CD2 3.67Å; I691-L739 HydrophobicContact CD1-CB 4.21Å
692S89Confident83Confident79 Ų7953.4 Ų53.455%0.55231%0.305SS*.EExtended strand (participates in β ladder)trans-74.3135.9-178.7-1730000111.3
693L87.6Confident83.8Confident3 Ų347.5 Ų47.52%0.01627%0.273CS..  trans-107.3110.9178.5-60.3-178.1000110V674 L676 T696 V699 V711 L732 L734 V741V674-L693 VanDerWaalsContact O-CB 3.28Å; V674-L693 WeakPolarHBondContact O-CB 3.35Å; V674-L693 PolarHBondContact O-N 2.79Å; L676-L693 HydrophobicContact CD1-CD2 4.17Å; L676-L693 HydrophobicContact CD2-CD1 4.14Å; L676-L693 HydrophobicContact CG-CD1 3.93Å; L676-L693 HydrophobicContact CG-CD2 4.12Å; L676-L693 HydrophobicContact CG-CG 4.22Å; L693-T696 HydrophobicContact CB-CG2 4Å; L693-T696 WeakPolarHBondContact CB-OG1 3.36Å; L693-T696 PolarHBondContact O-OG1 3.44Å; L693-V699 HydrophobicContact CD1-CG2 3.48Å; L693-V699 VanDerWaalsContact CD1-CG2 3.48Å; L693-V711 HydrophobicContact CD1-CG1 4.16Å; L693-L732 HydrophobicContact CB-CD1 3.67Å; L693-L732 HydrophobicContact CD1-CD1 4.38Å; L693-L732 HydrophobicContact CD2-CD1 3.81Å; L693-L732 HydrophobicContact CG-CD1 4.16Å; L693-L734 HydrophobicContact CD2-CD1 4.14Å; L693-L734 HydrophobicContact CD2-CD2 4.22Å; L693-V741 HydrophobicContact CD2-CG2 4.25Å
694P82.4Confident84.7Confident49 Ų4947.3 Ų47.332%0.31827%0.267SS..THydrogen-bonded Turntrans-68.2139-176.828.7-33.9000111.7T696 E744P694-T696 VanDerWaalsContact C-N 3.3Å; P694-T696 WeakPolarHBondContact O-CG2 3.5Å; P694-T696 PolarHBondContact O-N 2.9Å; P694-E744 HydrophobicContact CG-CG 4.39Å; P694-E744 VanDerWaalsContact CG-OE1 3.23Å; P694-E744 WeakPolarHBondContact CG-OE1 3.27Å
695G73.8Confident85.8Confident54 Ų5446.6 Ų46.656%0.55726%0.263SS*.THydrogen-bonded Turntrans69.120.2169.900000115.7
696T76.7Confident86.9Confident4 Ų443.5 Ų43.53%0.02524%0.242CC..  trans-111.8154.9-178.368.90000111.7V674 L693 P694 C713 W716 L732V674-T696 WeakPolarHBondContact CG1-O 3.42Å; L693-T696 HydrophobicContact CB-CG2 4Å; L693-T696 WeakPolarHBondContact CB-OG1 3.36Å; L693-T696 PolarHBondContact O-OG1 3.44Å; P694-T696 VanDerWaalsContact C-N 3.3Å; P694-T696 WeakPolarHBondContact O-CG2 3.5Å; P694-T696 PolarHBondContact O-N 2.9Å; T696-C713 HydrophobicContact CG2-CB 3.68Å; T696-C713 WeakPolarHBondContact CG2-SG 3.46Å; T696-W716 WeakPolarHBondContact O-CZ3 3.48Å; T696-L732 HydrophobicContact CG2-CD1 3.59Å; T696-L732 HydrophobicContact CG2-CG 4.4Å
697S78.1Confident87.7Confident37 Ų3740.1 Ų40.126%0.25923%0.228SC..SBendtrans-109.1-5.7171.453.80000113R714 G715S697-R714 VanDerWaalsContact OG-CB 3.31Å; S697-R714 WeakPolarHBondContact OG-CB 3.3Å; S697-R714 PolarHBondContact OG-O 2.9Å; S697-G715 PolarHBondContact OG-O 2.76Å
698G86Confident88.5Confident0 Ų036.8 Ų36.80%020%0.201CC..  trans165.6155.6-171.500000112.8S671 S673 C713 R714S671-G698 VanDerWaalsContact O-CA 3.23Å; S671-G698 WeakPolarHBondContact O-CA 3.4Å; S673-G698 WeakPolarHBondContact O-CA 3.3Å; G698-C713 CarbonylContact O-C 3.52Å; G698-C713 VanDerWaalsContact O-CA 3.27Å; G698-C713 WeakPolarHBondContact O-CA 3.35Å; G698-C713 WeakPolarHBondContact O-CB 3.49Å; G698-R714 PolarHBondContact O-N 2.77Å
699V90.3Very high88.9Confident0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-102.3127.3177.3179.80000109.6S655 C670 L676 L693 M702 V711S655-V699 WeakPolarHBondContact CB-O 3.22Å; S655-V699 PolarHBondContact OG-O 2.65Å; C670-V699 PolarHBondContact O-N 2.91Å; L676-V699 HydrophobicContact CD2-CG1 4.41Å; L676-V699 HydrophobicContact CD2-CG2 3.89Å; L693-V699 HydrophobicContact CD1-CG2 3.48Å; L693-V699 VanDerWaalsContact CD1-CG2 3.48Å; V699-M702 HydrophobicContact CG1-CG 3.93Å; V699-M702 HydrophobicContact CG1-SD 4.4Å; V699-V711 HydrophobicContact CB-CG1 4.43Å; V699-V711 HydrophobicContact CG1-CG1 3.64Å; V699-V711 HydrophobicContact CG2-CG1 4.03Å
700T90.9Very high89.3Confident25 Ų2530.6 Ų30.615%0.15317%0.172CC..EExtended strand (participates in β ladder)trans-100.2-39178.458.70000112.8G712 R714 I752T700-G712 PolarHBondContact N-O 3.2Å; T700-G712 PolarHBondContact OG1-O 2.88Å; T700-G712 VanDerWaalsContact OG1-O 3.09Å; T700-R714 HydrophobicContact CG2-CG 3.42Å; T700-R714 VanDerWaalsContact CG2-CG 3.42Å; T700-I752 VanDerWaalsContact CB-O 3.28Å; T700-I752 WeakPolarHBondContact CB-O 3.44Å; T700-I752 WeakPolarHBondContact CG2-O 3.38Å; T700-I752 PolarHBondContact OG1-O 2.86Å
701C93.1Very high89.6Confident16 Ų1626.4 Ų26.411%0.10816%0.156CC..EExtended strand (participates in β ladder)trans-155.1156.5-176.555.70000111.4G712C701-G712 PolarHBondContact N-O 3.3Å; C701-G712 PolarHBondContact O-N 2.94Å
702M95.3Very high89.7Confident4 Ų425.8 Ų25.82%0.0215%0.153CC..EExtended strand (participates in β ladder)trans-143.1143.7175.9-66-172.1-64.500110.7I658 G669 L676 V699 I709 W710 V711I658-M702 HydrophobicContact CD1-CB 3.65Å; I658-M702 HydrophobicContact CG1-CB 4.16Å; G669-M702 VanDerWaalsContact N-CE 3.33Å; L676-M702 HydrophobicContact CD1-SD 3.99Å; L676-M702 HydrophobicContact CD2-CE 4.3Å; L676-M702 HydrophobicContact CD2-SD 3.46Å; L676-M702 WeakPolarHBondContact CD2-SD 3.5Å; L676-M702 HydrophobicContact CG-SD 4.38Å; V699-M702 HydrophobicContact CG1-CG 3.93Å; V699-M702 HydrophobicContact CG1-SD 4.4Å; M702-I709 HydrophobicContact SD-CG2 4.37Å; M702-W710 VanDerWaalsContact CA-O 3.3Å; M702-W710 WeakPolarHBondContact CA-O 3.31Å; M702-V711 HydrophobicContact CG-CB 4.34Å; M702-V711 HydrophobicContact CG-CG1 3.99Å; M702-V711 HydrophobicContact CG-CG2 4.09Å; M702-V711 HydrophobicContact SD-CG1 4.5Å; M702-V711 HydrophobicContact SD-CG2 4.21Å
703I95.4Very high89.7Confident23 Ų2322 Ų2212%0.11813%0.127CC..EExtended strand (participates in β ladder)trans-134152.8167.263.2170.5000110.4I658 V705 W710 L755 V763I658-I703 VanDerWaalsContact CD1-C 3.41Å; I703-V705 HydrophobicContact CD1-CG2 3.76Å; I703-V705 HydrophobicContact CG1-CG2 4.13Å; I703-W710 HydrophobicContact CG1-CB 3.96Å; I703-W710 PolarHBondContact N-O 3.05Å; I703-W710 PolarHBondContact O-N 2.88Å; I703-L755 HydrophobicContact CD1-CB 3.97Å; I703-L755 HydrophobicContact CG1-CB 3.99Å; I703-L755 HydrophobicContact CG1-CD1 4.29Å; I703-L755 HydrophobicContact CG2-CB 3.89Å; I703-V763 HydrophobicContact CD1-CG1 3.98Å; I703-V763 HydrophobicContact CD1-CG2 4.08Å
704R94.1Very high89.4Confident77 Ų7726.5 Ų26.529%0.29114%0.144SC..EExtended strand (participates in β ladder)trans-98.2133.8169.2178.3-179.8172.2-160.62.5108.9I658 E662 K706 Q708 L736I658-R704 HydrophobicContact CD1-CB 4.3Å; I658-R704 HydrophobicContact CG2-CB 4.06Å; E662-R704 VanDerWaalsContact CD-NH1 3.32Å; E662-R704 IonicContact OE1-CZ 2.91Å; E662-R704 IonicContact OE1-NH1 2.9Å; E662-R704 PolarHBondContact OE1-NH1 3.46Å; E662-R704 IonicContact OE1-NH2 2.93Å; E662-R704 PolarHBondContact OE1-NH2 2.87Å; E662-R704 IonicContact OE2-NH1 3.25Å; E662-R704 PolarHBondContact OE2-NH1 3.1Å; R704-K706 PolarHBondContact NE-O 2.64Å; R704-Q708 WeakPolarHBondContact CA-O 3.27Å; R704-L736 HydrophobicContact CG-CD1 4.46Å
705V94.1Very high88.6Confident1 Ų124.7 Ų24.71%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-137.6121.1174.3-177.90000108.6I703 N707 Q708 D760 V763 V779I703-V705 HydrophobicContact CD1-CG2 3.76Å; I703-V705 HydrophobicContact CG1-CG2 4.13Å; V705-N707 PolarHBondContact O-N 2.84Å; V705-Q708 PolarHBondContact N-O 2.86Å; V705-Q708 PolarHBondContact O-N 2.66Å; V705-D760 HydrophobicContact CG1-CB 3.84Å; V705-V763 HydrophobicContact CB-CG2 4.31Å; V705-V763 HydrophobicContact CG1-CG2 4.46Å; V705-V763 HydrophobicContact CG2-CG2 3.69Å; V705-V779 HydrophobicContact CG1-CG1 3.98Å; V705-V779 HydrophobicContact CG1-CG2 3.95Å
706K90.8Very high87.9Confident90 Ų9028.4 Ų28.439%0.39113%0.131SC..THydrogen-bonded Turntrans49.7-125.6-169.6-53-177.5-171.1173.20111.3R704 Q708 D760 V779 A780R704-K706 PolarHBondContact NE-O 2.64Å; K706-Q708 VanDerWaalsContact C-N 3.34Å; K706-D760 WeakPolarHBondContact CE-O 3.29Å; K706-D760 HydrophobicContact CG-CB 4.09Å; K706-V779 HydrophobicContact CD-CG1 4.03Å; K706-V779 HydrophobicContact CG-CG1 4.46Å; K706-A780 PolarHBondContact NZ-O 2.76Å
707N90.9Very high86.6Confident48 Ų4830.6 Ų30.626%0.25715%0.146SC..THydrogen-bonded Turntrans-94.621.4177.6-156.152.7000113.3R663 V705 L736 D737R663-N707 PolarHBondContact NH2-OD1 3.32Å; V705-N707 PolarHBondContact O-N 2.84Å; N707-L736 WeakPolarHBondContact O-CB 3.44Å; N707-L736 PolarHBondContact O-N 3.22Å; N707-L736 VanDerWaalsContact O-N 3.09Å; N707-D737 PolarHBondContact ND2-OD2 2.82Å
708Q94.7Very high84.9Confident31 Ų3140.1 Ų40.115%0.14518%0.177CC..EExtended strand (participates in β ladder)trans-124.1149.5-177.5-65.1167.95.700111.7R704 V705 K706 V733 L734R704-Q708 WeakPolarHBondContact CA-O 3.27Å; V705-Q708 PolarHBondContact N-O 2.86Å; V705-Q708 PolarHBondContact O-N 2.66Å; K706-Q708 VanDerWaalsContact C-N 3.34Å; Q708-V733 HydrophobicContact CB-CG1 4.02Å; Q708-V733 HydrophobicContact CG-CG1 4.1Å; Q708-L734 CarbonylContact C-O 3.6Å; Q708-L734 WeakPolarHBondContact CA-O 3.36Å
709I95.5Very high82.8Confident0 Ų046 Ų460%021%0.207CC..EExtended strand (participates in β ladder)trans-106.6123.3166.6-63.6177.1000108.4I658 W667 M702 V711 L734 L736I658-I709 HydrophobicContact CD1-CG2 3.99Å; W667-I709 HydrophobicContact CB-CD1 4.28Å; W667-I709 HydrophobicContact CD2-CD1 3.23Å; W667-I709 VanDerWaalsContact CE2-CD1 3.44Å; W667-I709 HydrophobicContact CE3-CD1 3.49Å; W667-I709 VanDerWaalsContact CE3-CD1 3.49Å; W667-I709 HydrophobicContact CG-CD1 3.61Å; W667-I709 HydrophobicContact CH2-CD1 4.05Å; W667-I709 HydrophobicContact CZ2-CD1 3.87Å; W667-I709 HydrophobicContact CZ3-CD1 3.86Å; M702-I709 HydrophobicContact SD-CG2 4.37Å; I709-V711 HydrophobicContact CG2-CG2 3.9Å; I709-L734 HydrophobicContact CB-CB 4.41Å; I709-L734 PolarHBondContact N-O 3.11Å; I709-L734 PolarHBondContact O-N 3.09Å; I709-L736 HydrophobicContact CD1-CD2 3.74Å; I709-L736 HydrophobicContact CD1-CG 4.47Å; I709-L736 HydrophobicContact CG1-CD2 4.01Å; I709-L736 HydrophobicContact CG1-CG 4.23Å
710W96.3Very high80.3Confident1 Ų150.3 Ų50.30%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-101.1127.3175.9-7166.9000109T452 M702 I703 V731 L732 V733 L745 L755 V763 W777 V779T452-W710 HydrophobicContact CG2-CH2 4.21Å; M702-W710 VanDerWaalsContact CA-O 3.3Å; M702-W710 WeakPolarHBondContact CA-O 3.31Å; I703-W710 HydrophobicContact CG1-CB 3.96Å; I703-W710 PolarHBondContact N-O 3.05Å; I703-W710 PolarHBondContact O-N 2.88Å; W710-V731 HydrophobicContact CE3-CG1 3.6Å; W710-V731 HydrophobicContact CZ3-CG1 4.08Å; W710-L732 WeakPolarHBondContact CA-O 3.33Å; W710-V733 HydrophobicContact CD2-CG1 4.42Å; W710-V733 HydrophobicContact CD2-CG2 3.74Å; W710-V733 HydrophobicContact CE3-CG2 3.69Å; W710-V733 HydrophobicContact CH2-CG2 3.76Å; W710-V733 HydrophobicContact CZ2-CG1 4.22Å; W710-V733 HydrophobicContact CZ2-CG2 3.8Å; W710-V733 HydrophobicContact CZ3-CG2 3.7Å; W710-L745 HydrophobicContact CE3-CD1 4.47Å; W710-L745 HydrophobicContact CH2-CD1 3.93Å; W710-L745 HydrophobicContact CZ3-CD1 3.53Å; W710-L755 HydrophobicContact CB-CD1 4.42Å; W710-L755 WeakPolarHBondContact O-CD1 3.36Å; W710-V763 HydrophobicContact CD2-CB 4.1Å; W710-V763 HydrophobicContact CD2-CG1 4.07Å; W710-V763 HydrophobicContact CD2-CG2 3.75Å; W710-V763 HydrophobicContact CE3-CB 3.91Å; W710-V763 HydrophobicContact CE3-CG1 3.71Å; W710-V763 HydrophobicContact CE3-CG2 4.1Å; W710-V763 HydrophobicContact CG-CG1 4.44Å; W710-V763 HydrophobicContact CG-CG2 4.04Å; W710-V763 HydrophobicContact CH2-CB 4.45Å; W710-V763 HydrophobicContact CZ2-CG2 4.3Å; W710-V763 HydrophobicContact CZ3-CB 4.1Å; W710-V763 HydrophobicContact CZ3-CG1 4.25Å; W710-W777 HydrophobicContact CH2-CB 3.82Å; W710-W777 HydrophobicContact CH2-CG 4.46Å; W710-W777 HydrophobicContact CZ3-CB 3.7Å; W710-W777 AromaticContact CZ3-CG 3.87Å; W710-W777 HydrophobicContact CZ3-CG 3.87Å; W710-V779 HydrophobicContact CZ2-CG2 4.16Å
711V95.2Very high77.5Confident0 Ų051.3 Ų51.30%027%0.267CS..EExtended strand (participates in β ladder)trans-122121.4-171.2-172.20000109.5L676 L693 V699 M702 I709 V731 L732 L734L676-V711 HydrophobicContact CD1-CG2 3.92Å; L693-V711 HydrophobicContact CD1-CG1 4.16Å; V699-V711 HydrophobicContact CB-CG1 4.43Å; V699-V711 HydrophobicContact CG1-CG1 3.64Å; V699-V711 HydrophobicContact CG2-CG1 4.03Å; M702-V711 HydrophobicContact CG-CB 4.34Å; M702-V711 HydrophobicContact CG-CG1 3.99Å; M702-V711 HydrophobicContact CG-CG2 4.09Å; M702-V711 HydrophobicContact SD-CG1 4.5Å; M702-V711 HydrophobicContact SD-CG2 4.21Å; I709-V711 HydrophobicContact CG2-CG2 3.9Å; V711-V731 WeakPolarHBondContact O-CA 3.39Å; V711-L732 HydrophobicContact CB-CB 4.32Å; V711-L732 PolarHBondContact N-O 2.78Å; V711-L732 PolarHBondContact O-N 3.13Å; V711-L734 HydrophobicContact CB-CD1 4.39Å; V711-L734 HydrophobicContact CG2-CD1 3.36Å
712G93.6Very high74.5Confident0 Ų059.7 Ų59.70%031%0.309CS..EExtended strand (participates in β ladder)trans-90.2128.3171.800000110.1T700 C701T700-G712 PolarHBondContact N-O 3.2Å; T700-G712 PolarHBondContact OG1-O 2.88Å; T700-G712 VanDerWaalsContact OG1-O 3.09Å; C701-G712 PolarHBondContact N-O 3.3Å; C701-G712 PolarHBondContact O-N 2.94Å
713C89.1Confident71.5Confident0 Ų064.6 Ų64.60%034%0.343CS..EExtended strand (participates in β ladder)trans-116.9156.9-173.2-53.30000112.5T696 G698 S729 L730 I752T696-C713 HydrophobicContact CG2-CB 3.68Å; T696-C713 WeakPolarHBondContact CG2-SG 3.46Å; G698-C713 CarbonylContact O-C 3.52Å; G698-C713 VanDerWaalsContact O-CA 3.27Å; G698-C713 WeakPolarHBondContact O-CA 3.35Å; G698-C713 WeakPolarHBondContact O-CB 3.49Å; C713-S729 WeakPolarHBondContact O-CB 3.11Å; C713-L730 WeakPolarHBondContact CB-O 3.36Å; C713-L730 PolarHBondContact N-O 2.77Å; C713-I752 PolarHBondContact O-N 3.43Å
714R81.6Confident68.8Low97 Ų9768.9 Ų68.937%0.36637%0.366SS..  trans-72.6147.1166.2-69.7-171.4174.7158.8-3.4110.1S671 D672 S697 G698 T700S671-R714 PolarHBondContact O-NH1 3.39Å; S671-R714 VanDerWaalsContact O-NH1 3.11Å; D672-R714 IonicContact OD1-NH1 3.39Å; D672-R714 PolarHBondContact OD1-NH1 3Å; S697-R714 VanDerWaalsContact OG-CB 3.31Å; S697-R714 WeakPolarHBondContact OG-CB 3.3Å; S697-R714 PolarHBondContact OG-O 2.9Å; G698-R714 PolarHBondContact O-N 2.77Å; T700-R714 HydrophobicContact CG2-CG 3.42Å; T700-R714 VanDerWaalsContact CG2-CG 3.42Å
715G65.6Low66.4Low10 Ų1067.8 Ų67.810%0.10338%0.378CS..  trans-66.8147.2177.800000112.2S697 K728S697-G715 PolarHBondContact OG-O 2.76Å; G715-K728 WeakPolarHBondContact CA-O 3.45Å
716W58.4Low64.5Low133 Ų13371.4 Ų71.450%0.50440%0.395SS..BIsolated β-bridgetrans-107.2134.3174.4-177-77.6000109.9T696 K728T696-W716 WeakPolarHBondContact O-CZ3 3.48Å; W716-K728 PolarHBondContact N-O 2.81Å
717S50.4Low62.9Low50 Ų5069.7 Ų69.735%0.3539%0.39SS..  trans-94.6117.9168.1-177.90000109.3I719S717-I719 PolarHBondContact O-N 2.85Å; S717-I719 PolarHBondContact OG-N 2.85Å; S717-I719 PolarHBondContact OG-O 2.7Å; S717-I719 VanDerWaalsContact OG-O 3.05Å
718R42.6Very low61.9Low237 Ų23770.4 Ų70.489%0.89439%0.391SS*.SBendtrans-70.9-11.3176.3-76.9-179.487174.96.2113.2
719I41.7Very low61.3Low123 Ų12369 Ų6963%0.63138%0.384SS*.SBendtrans-119.2108.1-176.8-56171.5000107.7S717 G721S717-I719 PolarHBondContact O-N 2.85Å; S717-I719 PolarHBondContact OG-N 2.85Å; S717-I719 PolarHBondContact OG-O 2.7Å; S717-I719 VanDerWaalsContact OG-O 3.05Å; I719-G721 VanDerWaalsContact C-N 3.33Å; I719-G721 PolarHBondContact O-N 2.93Å
720G36.3Very low61Low91 Ų9170.1 Ų70.194%0.93839%0.39SS*.  trans-66.494.3165.300000108.8
721G32Very low60.9Low46 Ų4670 Ų7047%0.47439%0.39SS..SBendtrans-177141.7179.500000110.1I719 C723I719-G721 VanDerWaalsContact C-N 3.33Å; I719-G721 PolarHBondContact O-N 2.93Å; G721-C723 PolarHBondContact O-N 3.12Å
722L31Very low60.8Low191 Ų19170 Ų70100%139%0.39SS*.SBendtrans-73.245.5-174.2-149.890.5000113.2
723C32.4Very low60.9Low108 Ų10870 Ų7073%0.7339%0.39SS*.SBendtrans-127.5130177.2-570000107.9G721 G725G721-C723 PolarHBondContact O-N 3.12Å; C723-G725 VanDerWaalsContact C-N 3.33Å; C723-G725 PolarHBondContact O-N 2.94Å
724D38.5Very low61.1Low113 Ų11370.1 Ų70.160%0.60439%0.39SS*.  trans-74.484.1-176.7-166-6.1000112.1Q726 R770D724-Q726 PolarHBondContact O-N 2.97Å; D724-Q726 WeakPolarHBondContact OD1-CA 3.5Å; D724-Q726 PolarHBondContact OD1-N 2.99Å; D724-Q726 VanDerWaalsContact OD1-N 3.09Å; D724-R770 IonicContact OD1-NH1 3.37Å; D724-R770 PolarHBondContact OD1-NH1 3.06Å; D724-R770 IonicContact OD2-CZ 3.32Å; D724-R770 IonicContact OD2-NH1 3.93Å; D724-R770 PolarHBondContact OD2-NH1 3.13Å
725G43.2Very low61.6Low53 Ų5367.2 Ų67.255%0.54638%0.382SS..  trans-70.921.2175.100000115.1C723C723-G725 VanDerWaalsContact C-N 3.33Å; C723-G725 PolarHBondContact O-N 2.94Å
726Q54.9Low62.8Low77 Ų7766.9 Ų66.936%0.3638%0.378SS..  trans59.7101.9-174.7-67.6175.1-10.900112.8D724 K728D724-Q726 PolarHBondContact O-N 2.97Å; D724-Q726 WeakPolarHBondContact OD1-CA 3.5Å; D724-Q726 PolarHBondContact OD1-N 2.99Å; D724-Q726 VanDerWaalsContact OD1-N 3.09Å; Q726-K728 PolarHBondContact O-N 3.49Å
727L57.7Low64.3Low54 Ų5465.4 Ų65.428%0.28338%0.38SS..  trans-64.8104.2168.6-73.8163.8000109.7S749L727-S749 CarbonylContact O-C 3.55Å
728K70.1Confident66.1Low64 Ų6466 Ų6628%0.27838%0.384SS..BIsolated β-bridgetrans-92.4129.7176-61.8175-170.3-178.60108.4V441 G715 W716 Q726 L746V441-K728 VanDerWaalsContact CG1-NZ 3.31Å; G715-K728 WeakPolarHBondContact CA-O 3.45Å; W716-K728 PolarHBondContact N-O 2.81Å; Q726-K728 PolarHBondContact O-N 3.49Å; K728-L746 HydrophobicContact CB-CD1 4.31Å
729S82.3Confident68.4Low1 Ų156.1 Ų56.11%0.00735%0.349CS..EExtended strand (participates in β ladder)trans-107.1152.5-179.369.30000111.6C713 H748 D750C713-S729 WeakPolarHBondContact O-CB 3.11Å; S729-H748 PolarHBondContact N-O 3.47Å; S729-H748 VanDerWaalsContact N-O 3.11Å; S729-H748 WeakPolarHBondContact OG-CB 3.48Å; S729-D750 VanDerWaalsContact CB-O 3.26Å; S729-D750 WeakPolarHBondContact CB-O 3.29Å; S729-D750 PolarHBondContact OG-O 3.17Å
730L88.8Confident70.7Confident23 Ų2353.9 Ų53.912%0.1234%0.341CS..EExtended strand (participates in β ladder)trans-115.3138.1-175.9-64.5174000110.8C713 L732 L745 L746 I752C713-L730 WeakPolarHBondContact CB-O 3.36Å; C713-L730 PolarHBondContact N-O 2.77Å; L730-L732 HydrophobicContact CB-CD2 4.1Å; L730-L732 HydrophobicContact CB-CG 4.45Å; L730-L732 HydrophobicContact CD1-CD2 4.36Å; L730-L745 WeakPolarHBondContact CA-O 3.46Å; L730-L746 HydrophobicContact CD2-CB 4.08Å; L730-L746 HydrophobicContact CD2-CD1 4.37Å; L730-L746 HydrophobicContact CD2-CG 4.45Å; L730-I752 VanDerWaalsContact C-CD1 3.46Å; L730-I752 WeakPolarHBondContact O-CD1 3.23Å
731V93.2Very high73.4Confident0 Ų051.4 Ų51.40%031%0.308CS..EExtended strand (participates in β ladder)trans-93.7119.8157.5179.90000107W710 V711 L745 I752 W777W710-V731 HydrophobicContact CE3-CG1 3.6Å; W710-V731 HydrophobicContact CZ3-CG1 4.08Å; V711-V731 WeakPolarHBondContact O-CA 3.39Å; V731-L745 HydrophobicContact CB-CB 4.17Å; V731-L745 HydrophobicContact CG1-CD1 4.47Å; V731-L745 PolarHBondContact N-O 2.83Å; V731-L745 WeakPolarHBondContact O-CB 3.21Å; V731-L745 PolarHBondContact O-N 2.82Å; V731-I752 HydrophobicContact CB-CD1 4.48Å; V731-I752 HydrophobicContact CG2-CD1 3.5Å; V731-I752 HydrophobicContact CG2-CG1 4.35Å; V731-W777 HydrophobicContact CB-CZ2 4.34Å; V731-W777 HydrophobicContact CG2-CZ2 3.97Å
732L93.5Very high76.2Confident0 Ų052.7 Ų52.70%031%0.306CS..EExtended strand (participates in β ladder)trans-102.1137.8177.6-59.3-178.7000110L693 T696 W710 V711 L730 L734 V741 K743 E744L693-L732 HydrophobicContact CB-CD1 3.67Å; L693-L732 HydrophobicContact CD1-CD1 4.38Å; L693-L732 HydrophobicContact CD2-CD1 3.81Å; L693-L732 HydrophobicContact CG-CD1 4.16Å; T696-L732 HydrophobicContact CG2-CD1 3.59Å; T696-L732 HydrophobicContact CG2-CG 4.4Å; W710-L732 WeakPolarHBondContact CA-O 3.33Å; V711-L732 HydrophobicContact CB-CB 4.32Å; V711-L732 PolarHBondContact N-O 2.78Å; V711-L732 PolarHBondContact O-N 3.13Å; L730-L732 HydrophobicContact CB-CD2 4.1Å; L730-L732 HydrophobicContact CB-CG 4.45Å; L730-L732 HydrophobicContact CD1-CD2 4.36Å; L732-L734 HydrophobicContact CB-CD1 4.42Å; L732-V741 HydrophobicContact CB-CG1 4.41Å; L732-V741 HydrophobicContact CD2-CG1 4.25Å; L732-K743 WeakPolarHBondContact CA-O 3.39Å; L732-E744 HydrophobicContact CD2-CB 4.12Å; L732-E744 HydrophobicContact CD2-CG 3.76Å
733V94.9Very high79.1Confident0 Ų046 Ų460%027%0.269CS..EExtended strand (participates in β ladder)trans-113116.8176.7-172.20000109Q708 W710 T742 K743 L745Q708-V733 HydrophobicContact CB-CG1 4.02Å; Q708-V733 HydrophobicContact CG-CG1 4.1Å; W710-V733 HydrophobicContact CD2-CG1 4.42Å; W710-V733 HydrophobicContact CD2-CG2 3.74Å; W710-V733 HydrophobicContact CE3-CG2 3.69Å; W710-V733 HydrophobicContact CH2-CG2 3.76Å; W710-V733 HydrophobicContact CZ2-CG1 4.22Å; W710-V733 HydrophobicContact CZ2-CG2 3.8Å; W710-V733 HydrophobicContact CZ3-CG2 3.7Å; V733-T742 PolarHBondContact O-N 3.11Å; V733-T742 PolarHBondContact O-OG1 3.27Å; V733-K743 HydrophobicContact CB-CB 3.97Å; V733-K743 HydrophobicContact CB-CG 4.4Å; V733-K743 HydrophobicContact CG2-CB 3.98Å; V733-K743 HydrophobicContact CG2-CD 4.38Å; V733-K743 PolarHBondContact N-O 2.78Å; V733-K743 PolarHBondContact O-N 2.91Å; V733-L745 HydrophobicContact CG2-CD1 3.87Å
734L94.8Very high81.9Confident1 Ų145.3 Ų45.31%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-105140.9177-65.393.8000110.6L676 I691 L693 Q708 I709 V711 L732 T740 V741L676-L734 HydrophobicContact CD1-CD1 4.17Å; L676-L734 HydrophobicContact CD1-CD2 4.12Å; I691-L734 HydrophobicContact CG2-CD2 3.67Å; L693-L734 HydrophobicContact CD2-CD1 4.14Å; L693-L734 HydrophobicContact CD2-CD2 4.22Å; Q708-L734 CarbonylContact C-O 3.6Å; Q708-L734 WeakPolarHBondContact CA-O 3.36Å; I709-L734 HydrophobicContact CB-CB 4.41Å; I709-L734 PolarHBondContact N-O 3.11Å; I709-L734 PolarHBondContact O-N 3.09Å; V711-L734 HydrophobicContact CB-CD1 4.39Å; V711-L734 HydrophobicContact CG2-CD1 3.36Å; L732-L734 HydrophobicContact CB-CD1 4.42Å; L734-T740 WeakPolarHBondContact CA-O 3.23Å; L734-V741 HydrophobicContact CD2-CG2 4.14Å; L734-V741 HydrophobicContact CG-CG2 3.99Å
735D92.3Very high84.4Confident37 Ų3740 Ų4020%0.19823%0.226CC..EExtended strand (participates in β ladder)trans-89.8134.9171.9179.475.6000110.9D737 S738 L739 T740 T742D735-D737 VanDerWaalsContact C-N 3.29Å; D735-D737 PolarHBondContact O-N 2.89Å; D735-D737 WeakPolarHBondContact OD2-CA 3.41Å; D735-D737 WeakPolarHBondContact OD2-CB 3.5Å; D735-D737 PolarHBondContact OD2-N 2.98Å; D735-S738 PolarHBondContact OD2-N 2.97Å; D735-L739 VanDerWaalsContact O-CA 3.29Å; D735-L739 WeakPolarHBondContact O-CA 3.49Å; D735-L739 PolarHBondContact O-N 2.93Å; D735-T740 PolarHBondContact N-O 2.98Å; D735-T740 VanDerWaalsContact N-O 3.13Å; D735-T742 HydrophobicContact CB-CG2 3.73Å
736L89.9Confident86.4Confident3 Ų339.5 Ų39.52%0.01621%0.211CC..THydrogen-bonded Turntrans-73-18.5-176.7-82.3164000113.5R663 W667 R704 N707 I709 L739R663-L736 PolarHBondContact NH1-O 3.3Å; W667-L736 HydrophobicContact CZ2-CD2 3.84Å; R704-L736 HydrophobicContact CG-CD1 4.46Å; N707-L736 WeakPolarHBondContact O-CB 3.44Å; N707-L736 PolarHBondContact O-N 3.22Å; N707-L736 VanDerWaalsContact O-N 3.09Å; I709-L736 HydrophobicContact CD1-CD2 3.74Å; I709-L736 HydrophobicContact CD1-CG 4.47Å; I709-L736 HydrophobicContact CG1-CD2 4.01Å; I709-L736 HydrophobicContact CG1-CG 4.23Å; L736-L739 WeakPolarHBondContact O-CD2 3.43Å
737D88.9Confident87.2Confident102 Ų10236 Ų3655%0.54520%0.196SC..THydrogen-bonded Turntrans-92.5-49.1-179.3-62.6-35.7000111.5R663 N707 D735 L739R663-D737 IonicContact CZ-OD1 3.39Å; R663-D737 IonicContact NH1-OD1 2.65Å; R663-D737 PolarHBondContact NH1-OD1 2.7Å; R663-D737 IonicContact NH2-OD1 2.77Å; R663-D737 PolarHBondContact NH2-OD1 2.87Å; N707-D737 PolarHBondContact ND2-OD2 2.82Å; D735-D737 VanDerWaalsContact C-N 3.29Å; D735-D737 PolarHBondContact O-N 2.89Å; D735-D737 WeakPolarHBondContact OD2-CA 3.41Å; D735-D737 WeakPolarHBondContact OD2-CB 3.5Å; D735-D737 PolarHBondContact OD2-N 2.98Å; D737-L739 VanDerWaalsContact C-N 3.34Å
738S89.3Confident88.5Confident61 Ų6133.6 Ų33.643%0.42718%0.183SC..THydrogen-bonded Turntrans-76.4-23.7177.773.70000112.9D735 T740D735-S738 PolarHBondContact OD2-N 2.97Å; S738-T740 PolarHBondContact O-N 3.01Å; S738-T740 PolarHBondContact OG-N 2.89Å; S738-T740 PolarHBondContact OG-OG1 3.29Å
739L89.9Confident89.1Confident31 Ų3132.9 Ų32.916%0.16219%0.186CC..  trans58.131.8-173.1-53171.4000112.5W667 L678 K689 I691 D735 L736 D737W667-L739 HydrophobicContact CH2-CD2 3.47Å; W667-L739 VanDerWaalsContact CH2-CD2 3.47Å; W667-L739 HydrophobicContact CZ2-CD2 3.46Å; W667-L739 VanDerWaalsContact CZ2-CD2 3.46Å; L678-L739 HydrophobicContact CD2-CD1 4.31Å; L678-L739 HydrophobicContact CD2-CD2 4.22Å; K689-L739 HydrophobicContact CD-CD1 4.21Å; I691-L739 HydrophobicContact CD1-CB 4.21Å; D735-L739 VanDerWaalsContact O-CA 3.29Å; D735-L739 WeakPolarHBondContact O-CA 3.49Å; D735-L739 PolarHBondContact O-N 2.93Å; L736-L739 WeakPolarHBondContact O-CD2 3.43Å; D737-L739 VanDerWaalsContact C-N 3.34Å
740T90.8Very high89.3Confident76 Ų7633.6 Ų33.647%0.46619%0.19SC..SBendtrans-121.3155.8179610000111.9L734 D735 S738 T742L734-T740 WeakPolarHBondContact CA-O 3.23Å; D735-T740 PolarHBondContact N-O 2.98Å; D735-T740 VanDerWaalsContact N-O 3.13Å; S738-T740 PolarHBondContact O-N 3.01Å; S738-T740 PolarHBondContact OG-N 2.89Å; S738-T740 PolarHBondContact OG-OG1 3.29Å; T740-T742 PolarHBondContact O-N 3.18Å
741V92Very high89.3Confident39 Ų3933.2 Ų33.224%0.23619%0.189CC..EExtended strand (participates in β ladder)trans-71.2122.4171.3-178.60000108.7L693 L732 L734 E744L693-V741 HydrophobicContact CD2-CG2 4.25Å; L732-V741 HydrophobicContact CB-CG1 4.41Å; L732-V741 HydrophobicContact CD2-CG1 4.25Å; L734-V741 HydrophobicContact CD2-CG2 4.14Å; L734-V741 HydrophobicContact CG-CG2 3.99Å; V741-E744 HydrophobicContact CG1-CG 4.31Å
742T91.9Very high89.3Confident73 Ų7333.2 Ų33.245%0.44819%0.189SC..EExtended strand (participates in β ladder)trans-100.6-28.4-179.659.80000112.8V733 D735 T740V733-T742 PolarHBondContact O-N 3.11Å; V733-T742 PolarHBondContact O-OG1 3.27Å; D735-T742 HydrophobicContact CB-CG2 3.73Å; T740-T742 PolarHBondContact O-N 3.18Å
743K91.3Very high89.3Confident49 Ų4936.9 Ų36.921%0.21321%0.206CC..EExtended strand (participates in β ladder)trans-141.2139.9178.6-55.6-177.6176.2-172.40111.7T452 L732 V733 L745T452-K743 PolarHBondContact OG1-NZ 2.97Å; L732-K743 WeakPolarHBondContact CA-O 3.39Å; V733-K743 HydrophobicContact CB-CB 3.97Å; V733-K743 HydrophobicContact CB-CG 4.4Å; V733-K743 HydrophobicContact CG2-CB 3.98Å; V733-K743 HydrophobicContact CG2-CD 4.38Å; V733-K743 PolarHBondContact N-O 2.78Å; V733-K743 PolarHBondContact O-N 2.91Å; K743-L745 HydrophobicContact CB-CD2 4.09Å; K743-L745 HydrophobicContact CB-CG 4.17Å; K743-L745 HydrophobicContact CD-CD2 4.4Å
744E91.1Very high89.3Confident95 Ų9537.8 Ų37.844%0.44421%0.212SC..EExtended strand (participates in β ladder)trans-112.9115.1167-59.9179.4-160.600108.1T448 P694 L732 V741T448-E744 PolarHBondContact OG1-O 3.16Å; P694-E744 HydrophobicContact CG-CG 4.39Å; P694-E744 VanDerWaalsContact CG-OE1 3.23Å; P694-E744 WeakPolarHBondContact CG-OE1 3.27Å; L732-E744 HydrophobicContact CD2-CB 4.12Å; L732-E744 HydrophobicContact CD2-CG 3.76Å; V741-E744 HydrophobicContact CG1-CG 4.31Å
745L90.7Very high89.4Confident0 Ų038.3 Ų38.30%022%0.215CC..EExtended strand (participates in β ladder)trans-117.4120.2-171.3-54.5175000110.7T449 T452 W710 L730 V731 V733 K743 W777T449-L745 WeakPolarHBondContact OG1-CA 3.28Å; T452-L745 HydrophobicContact CG2-CD1 3.98Å; T452-L745 HydrophobicContact CG2-CD2 4.25Å; W710-L745 HydrophobicContact CE3-CD1 4.47Å; W710-L745 HydrophobicContact CH2-CD1 3.93Å; W710-L745 HydrophobicContact CZ3-CD1 3.53Å; L730-L745 WeakPolarHBondContact CA-O 3.46Å; V731-L745 HydrophobicContact CB-CB 4.17Å; V731-L745 HydrophobicContact CG1-CD1 4.47Å; V731-L745 PolarHBondContact N-O 2.83Å; V731-L745 WeakPolarHBondContact O-CB 3.21Å; V731-L745 PolarHBondContact O-N 2.82Å; V733-L745 HydrophobicContact CG2-CD1 3.87Å; K743-L745 HydrophobicContact CB-CD2 4.09Å; K743-L745 HydrophobicContact CB-CG 4.17Å; K743-L745 HydrophobicContact CD-CD2 4.4Å; L745-W777 HydrophobicContact CB-CE3 4.36Å; L745-W777 HydrophobicContact CB-CH2 3.58Å; L745-W777 HydrophobicContact CB-CZ2 4.17Å; L745-W777 HydrophobicContact CB-CZ3 3.72Å; L745-W777 HydrophobicContact CD1-CD2 4.18Å; L745-W777 HydrophobicContact CD1-CE3 3.89Å; L745-W777 HydrophobicContact CD1-CZ3 4.09Å; L745-W777 HydrophobicContact CD2-CZ3 4.37Å; L745-W777 HydrophobicContact CG-CZ3 4.29Å
746L85.8Confident89.5Confident44 Ų4437.2 Ų37.223%0.2321%0.209CC..EExtended strand (participates in β ladder)trans-103.498.8-176.5-168.9147.3000110.2T449 K728 L730T449-L746 WeakPolarHBondContact CG2-O 3.3Å; T449-L746 PolarHBondContact OG1-N 2.82Å; T449-L746 VanDerWaalsContact OG1-N 3.08Å; K728-L746 HydrophobicContact CB-CD1 4.31Å; L730-L746 HydrophobicContact CD2-CB 4.08Å; L730-L746 HydrophobicContact CD2-CD1 4.37Å; L730-L746 HydrophobicContact CD2-CG 4.45Å
747A71.6Confident89.7Confident4 Ų438.6 Ų38.63%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-111.2-35.1177.400000115K456 A775 W777K456-A747 VanDerWaalsContact CE-O 3.23Å; K456-A747 WeakPolarHBondContact CE-O 3.46Å; K456-A747 PolarHBondContact NZ-O 3.07Å; A747-A775 HydrophobicContact CB-CB 3.57Å; A747-W777 HydrophobicContact CB-CH2 3.32Å; A747-W777 HydrophobicContact CB-CZ2 3.15Å
748H86.2Confident89.9Confident2 Ų233.8 Ų33.81%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-117137.2-163-60.7-70.3000110.6S729 D750 S765 S767 D771 K773S729-H748 PolarHBondContact N-O 3.47Å; S729-H748 VanDerWaalsContact N-O 3.11Å; S729-H748 WeakPolarHBondContact OG-CB 3.48Å; H748-D750 WeakPolarHBondContact CB-O 3.48Å; H748-D750 PolarHBondContact O-N 3.18Å; H748-S765 PolarHBondContact CE1-O 2.82Å; H748-S765 PolarHBondContact NE2-O 3.29Å; H748-S765 PolarHBondContact NE2-OG 2.89Å; H748-S767 WeakPolarHBondContact ND1-CB 3.48Å; H748-S767 PolarHBondContact ND1-OG 3.03Å; H748-D771 WeakPolarHBondContact CB-OD2 3.46Å; H748-D771 IonicContact CE1-OD2 3.67Å; H748-D771 IonicContact CG-OD2 2.91Å; H748-D771 IonicContact ND1-OD2 2.7Å; H748-D771 PolarHBondContact ND1-OD2 3.27Å; H748-K773 PolarHBondContact CE1-O 3.39Å
749S81.3Confident89.7Confident49 Ų4934.3 Ų34.334%0.34319%0.19SC..SBendtrans-85.211.8171.652.50000112.7L727L727-S749 CarbonylContact O-C 3.55Å
750D86.6Confident89.6Confident17 Ų1736.4 Ų36.49%0.09120%0.201CC..SBendtrans-146.2170.8174.2-154-2.6000110.9S729 H748 I752 A768 R770 D771S729-D750 VanDerWaalsContact CB-O 3.26Å; S729-D750 WeakPolarHBondContact CB-O 3.29Å; S729-D750 PolarHBondContact OG-O 3.17Å; H748-D750 WeakPolarHBondContact CB-O 3.48Å; H748-D750 PolarHBondContact O-N 3.18Å; D750-I752 PolarHBondContact O-N 3.42Å; D750-A768 HydrophobicContact CB-CB 4.24Å; D750-A768 VanDerWaalsContact OD2-CB 3.28Å; D750-A768 WeakPolarHBondContact OD2-CB 3.33Å; D750-R770 HydrophobicContact CB-CB 4.08Å; D750-R770 IonicContact OD1-CZ 2.75Å; D750-R770 IonicContact OD1-NE 3.09Å; D750-R770 PolarHBondContact OD1-NE 3.33Å; D750-R770 IonicContact OD1-NH2 3.27Å; D750-R770 PolarHBondContact OD1-NH2 2.88Å; D750-R770 WeakPolarHBondContact OD2-CB 3.34Å; D750-R770 PolarHBondContact OD2-N 3.34Å; D750-R770 IonicContact OD2-NE 2.66Å; D750-R770 PolarHBondContact OD2-NE 2.99Å; D750-D771 HydrophobicContact CB-CB 3.93Å
751S89Confident89.5Confident15 Ų1536.7 Ų36.711%0.10519%0.193CC..  trans-57.6134.6179.9-175.30000112.5Q753 A768S751-Q753 PolarHBondContact O-NE2 3.27Å; S751-Q753 PolarHBondContact OG-NE2 3.35Å; S751-A768 WeakPolarHBondContact O-CB 3.29Å; S751-A768 PolarHBondContact O-N 2.78Å
752I93Very high89.5Confident0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-69.2136.2170.1-65145.6000108.6T700 C713 L730 V731 D750T700-I752 VanDerWaalsContact CB-O 3.28Å; T700-I752 WeakPolarHBondContact CB-O 3.44Å; T700-I752 WeakPolarHBondContact CG2-O 3.38Å; T700-I752 PolarHBondContact OG1-O 2.86Å; C713-I752 PolarHBondContact O-N 3.43Å; L730-I752 VanDerWaalsContact C-CD1 3.46Å; L730-I752 WeakPolarHBondContact O-CD1 3.23Å; V731-I752 HydrophobicContact CB-CD1 4.48Å; V731-I752 HydrophobicContact CG2-CD1 3.5Å; V731-I752 HydrophobicContact CG2-CG1 4.35Å; D750-I752 PolarHBondContact O-N 3.42Å
753Q93.3Very high89.7Confident77 Ų7732 Ų3236%0.3616%0.163SC..EExtended strand (participates in β ladder)trans-110.6-34.2-178.6-63.8-57.2-52.200112.5T468 V469 S751 G766 A768T468-Q753 HydrophobicContact CG2-CG 3.79Å; V469-Q753 WeakPolarHBondContact O-CB 3.37Å; S751-Q753 PolarHBondContact O-NE2 3.27Å; S751-Q753 PolarHBondContact OG-NE2 3.35Å; Q753-G766 PolarHBondContact N-O 3.2Å; Q753-A768 HydrophobicContact CG-CB 4Å
754T95.3Very high90Very high18 Ų1829.6 Ų29.611%0.1115%0.153CC..EExtended strand (participates in β ladder)trans-151.2152.6-172.1-170.70000111.8V469 L472 S765 G766V469-T754 HydrophobicContact CG1-CG2 3.98Å; L472-T754 HydrophobicContact CB-CG2 4.24Å; L472-T754 HydrophobicContact CD1-CG2 3.85Å; L472-T754 HydrophobicContact CG-CG2 3.65Å; T754-S765 WeakPolarHBondContact O-CA 3.42Å; T754-G766 PolarHBondContact O-N 2.79Å
755L96.7Very high90.3Very high13 Ų1325.1 Ų25.17%0.06813%0.132CC..EExtended strand (participates in β ladder)trans-131.3143.5176.8-71.7172.3000109.9I703 W710 V763 L764I703-L755 HydrophobicContact CD1-CB 3.97Å; I703-L755 HydrophobicContact CG1-CB 3.99Å; I703-L755 HydrophobicContact CG1-CD1 4.29Å; I703-L755 HydrophobicContact CG2-CB 3.89Å; W710-L755 HydrophobicContact CB-CD1 4.42Å; W710-L755 WeakPolarHBondContact O-CD1 3.36Å; L755-V763 HydrophobicContact CD2-CG1 4.04Å; L755-L764 CarbonylContact C-O 3.58Å; L755-L764 VanDerWaalsContact CA-O 3.27Å; L755-L764 WeakPolarHBondContact CA-O 3Å
756C95.4Very high90.5Very high13 Ų1325.1 Ų25.19%0.08813%0.132CC..EExtended strand (participates in β ladder)trans-138.7143.8176.3-172.30000110.7L472 Y474 V763 L764L472-C756 HydrophobicContact CB-CB 3.62Å; L472-C756 HydrophobicContact CD1-CB 4.49Å; Y474-C756 PolarHBondContact N-SG 3.03Å; C756-V763 CarbonylContact O-C 3.39Å; C756-V763 WeakPolarHBondContact O-CA 3.47Å; C756-L764 HydrophobicContact CB-CB 4.43Å; C756-L764 HydrophobicContact CB-CD1 4.46Å; C756-L764 PolarHBondContact N-O 2.75Å; C756-L764 PolarHBondContact O-N 2.98Å
757S94.4Very high90.9Very high32 Ų3223 Ų2322%0.22412%0.121CC..EExtended strand (participates in β ladder)trans-96.8135.6170.8-177.60000109.5D760S757-D760 WeakPolarHBondContact OG-CA 3.5Å; S757-D760 PolarHBondContact OG-N 2.73Å; S757-D760 PolarHBondContact OG-OD1 2.81Å
758A91.4Very high91.9Very high1 Ų123.3 Ų23.31%0.00812%0.124CC..EExtended strand (participates in β ladder)trans-110.898.5168.100000109Y474 D760 R761 Y762 L764Y474-A758 HydrophobicContact CD1-CB 4.24Å; Y474-A758 HydrophobicContact CD2-CB 3.6Å; Y474-A758 HydrophobicContact CE1-CB 4.47Å; Y474-A758 HydrophobicContact CE2-CB 3.85Å; Y474-A758 HydrophobicContact CG-CB 3.79Å; A758-D760 PolarHBondContact O-N 2.81Å; A758-R761 PolarHBondContact O-N 3.42Å; A758-R761 VanDerWaalsContact O-N 3.14Å; A758-Y762 PolarHBondContact N-O 2.7Å; A758-Y762 PolarHBondContact O-N 2.81Å; A758-L764 HydrophobicContact CB-CD1 3.86Å
759E86Confident92.1Very high73 Ų7329.7 Ų29.734%0.34115%0.147SC..THydrogen-bonded Turntrans47.837.7178.3-55.3-173.3177.900113.7F4 Y474 R761F4-E759 WeakPolarHBondContact CE2-OE2 3.38Å; F4-E759 HydrophobicContact CZ-CG 4.45Å; F4-E759 WeakPolarHBondContact CZ-OE1 3.06Å; F4-E759 WeakPolarHBondContact CZ-OE2 3.4Å; Y474-E759 HydrophobicContact CE1-CG 3.59Å; Y474-E759 PolarHBondContact OH-OE1 3.19Å; E759-R761 WeakPolarHBondContact O-CG 3.42Å; E759-R761 PolarHBondContact O-N 2.82Å; E759-R761 PolarHBondContact O-NE 3.09Å; E759-R761 IonicContact OE2-CZ 2.86Å; E759-R761 IonicContact OE2-NH2 2.59Å; E759-R761 PolarHBondContact OE2-NH2 2.66Å
760D88Confident92.2Very high74 Ų7432.4 Ų32.440%0.39615%0.15SC..THydrogen-bonded Turntrans54.614.4179.9-62-26.3000116.4V705 K706 S757 A758V705-D760 HydrophobicContact CG1-CB 3.84Å; K706-D760 WeakPolarHBondContact CE-O 3.29Å; K706-D760 HydrophobicContact CG-CB 4.09Å; S757-D760 WeakPolarHBondContact OG-CA 3.5Å; S757-D760 PolarHBondContact OG-N 2.73Å; S757-D760 PolarHBondContact OG-OD1 2.81Å; A758-D760 PolarHBondContact O-N 2.81Å
761R88.1Confident92.2Very high82 Ų8232.3 Ų32.331%0.30915%0.15SC..THydrogen-bonded Turntrans-113.9-17.8-179.7-67.5168.6-58.4126.110.2112F4 A758 E759 V779F4-R761 VanDerWaalsContact CB-NH1 3.32Å; F4-R761 VanDerWaalsContact CD1-NH2 3.29Å; A758-R761 PolarHBondContact O-N 3.42Å; A758-R761 VanDerWaalsContact O-N 3.14Å; E759-R761 WeakPolarHBondContact O-CG 3.42Å; E759-R761 PolarHBondContact O-N 2.82Å; E759-R761 PolarHBondContact O-NE 3.09Å; E759-R761 IonicContact OE2-CZ 2.86Å; E759-R761 IonicContact OE2-NH2 2.59Å; E759-R761 PolarHBondContact OE2-NH2 2.66Å; R761-V779 PolarHBondContact O-N 3.21Å
762Y92.9Very high92.3Very high13 Ų1331.6 Ų31.65%0.05115%0.145CC..EExtended strand (participates in β ladder)trans-132.3150164.4-54-80.3000112.3M7 K454 A758 I776 W777 Q778M7-Y762 HydrophobicContact CE-CD2 4.25Å; M7-Y762 HydrophobicContact CE-CE2 3.99Å; M7-Y762 HydrophobicContact SD-CD2 4.03Å; M7-Y762 HydrophobicContact SD-CE2 3.38Å; M7-Y762 WeakPolarHBondContact SD-CE2 3.06Å; K454-Y762 HydrophobicContact CG-CE1 4.17Å; A758-Y762 PolarHBondContact N-O 2.7Å; A758-Y762 PolarHBondContact O-N 2.81Å; Y762-I776 HydrophobicContact CD1-CG2 4.04Å; Y762-I776 HydrophobicContact CG-CG2 4.25Å; Y762-W777 CarbonylContact C-O 3.57Å; Y762-W777 WeakPolarHBondContact CA-O 3.48Å; Y762-W777 WeakPolarHBondContact CB-O 3.19Å; Y762-Q778 HydrophobicContact CD1-CB 4.38Å; Y762-Q778 HydrophobicContact CE1-CB 4.3Å; Y762-Q778 HydrophobicContact CE1-CG 4.43Å
763V96.5Very high92.3Very high0 Ų033.8 Ų33.80%015%0.154CC..EExtended strand (participates in β ladder)trans-112.2138.4164.7169.80000108.1I703 V705 W710 L755 C756 W777 V779I703-V763 HydrophobicContact CD1-CG1 3.98Å; I703-V763 HydrophobicContact CD1-CG2 4.08Å; V705-V763 HydrophobicContact CB-CG2 4.31Å; V705-V763 HydrophobicContact CG1-CG2 4.46Å; V705-V763 HydrophobicContact CG2-CG2 3.69Å; W710-V763 HydrophobicContact CD2-CB 4.1Å; W710-V763 HydrophobicContact CD2-CG1 4.07Å; W710-V763 HydrophobicContact CD2-CG2 3.75Å; W710-V763 HydrophobicContact CE3-CB 3.91Å; W710-V763 HydrophobicContact CE3-CG1 3.71Å; W710-V763 HydrophobicContact CE3-CG2 4.1Å; W710-V763 HydrophobicContact CG-CG1 4.44Å; W710-V763 HydrophobicContact CG-CG2 4.04Å; W710-V763 HydrophobicContact CH2-CB 4.45Å; W710-V763 HydrophobicContact CZ2-CG2 4.3Å; W710-V763 HydrophobicContact CZ3-CB 4.1Å; W710-V763 HydrophobicContact CZ3-CG1 4.25Å; L755-V763 HydrophobicContact CD2-CG1 4.04Å; C756-V763 CarbonylContact O-C 3.39Å; C756-V763 WeakPolarHBondContact O-CA 3.47Å; V763-W777 HydrophobicContact CB-CB 4.26Å; V763-W777 PolarHBondContact N-O 3.38Å; V763-W777 WeakPolarHBondContact O-CB 3.36Å; V763-W777 PolarHBondContact O-N 2.98Å; V763-V779 HydrophobicContact CG2-CG2 3.77Å
764L96.6Very high92.4Very high0 Ų030.1 Ų30.10%014%0.137CC..EExtended strand (participates in β ladder)trans-112.8132.4174.5-58.396.1000109.2L472 L492 W509 L755 C756 A758 I774 A775 I776L472-L764 HydrophobicContact CD1-CB 4.01Å; L492-L764 HydrophobicContact CD1-CD2 3.78Å; L492-L764 HydrophobicContact CD2-CD2 3.45Å; L492-L764 VanDerWaalsContact CD2-CD2 3.45Å; L492-L764 HydrophobicContact CG-CD2 4.22Å; W509-L764 HydrophobicContact CH2-CD2 4.29Å; W509-L764 HydrophobicContact CZ3-CD2 4.15Å; L755-L764 CarbonylContact C-O 3.58Å; L755-L764 VanDerWaalsContact CA-O 3.27Å; L755-L764 WeakPolarHBondContact CA-O 3Å; C756-L764 HydrophobicContact CB-CB 4.43Å; C756-L764 HydrophobicContact CB-CD1 4.46Å; C756-L764 PolarHBondContact N-O 2.75Å; C756-L764 PolarHBondContact O-N 2.98Å; A758-L764 HydrophobicContact CB-CD1 3.86Å; L764-I774 HydrophobicContact CB-CG2 4.15Å; L764-I774 HydrophobicContact CD2-CG2 4.13Å; L764-A775 CarbonylContact C-O 3.56Å; L764-A775 VanDerWaalsContact CA-O 3.31Å; L764-A775 WeakPolarHBondContact CA-O 3.39Å; L764-I776 HydrophobicContact CD2-CD1 4.47Å; L764-I776 HydrophobicContact CD2-CG1 3.88Å; L764-I776 HydrophobicContact CG-CG1 4.19Å
765S96.6Very high92.3Very high0 Ų029.3 Ų29.30%013%0.132CC..EExtended strand (participates in β ladder)trans-116.7131.8173.1590000111.1H748 T754 I774 A775 W777H748-S765 PolarHBondContact CE1-O 2.82Å; H748-S765 PolarHBondContact NE2-O 3.29Å; H748-S765 PolarHBondContact NE2-OG 2.89Å; T754-S765 WeakPolarHBondContact O-CA 3.42Å; S765-I774 CarbonylContact O-C 3.57Å; S765-I774 WeakPolarHBondContact O-CA 3.19Å; S765-A775 PolarHBondContact N-O 2.94Å; S765-A775 PolarHBondContact O-N 3.39Å; S765-W777 PolarHBondContact OG-NE1 3.14Å
766G96.1Very high92.2Very high0 Ų028.7 Ų28.70%013%0.129CC..EExtended strand (participates in β ladder)trans-107.9140.3175.800000111.8Q753 T754Q753-G766 PolarHBondContact N-O 3.2Å; T754-G766 PolarHBondContact O-N 2.79Å
767S94.1Very high92.1Very high0 Ų028.1 Ų28.10%013%0.125CC..EExtended strand (participates in β ladder)trans-106.6164.4-177.757.60000114.8V469 H748 D771 G772 K773V469-S767 PolarHBondContact N-O 3.13Å; H748-S767 WeakPolarHBondContact ND1-CB 3.48Å; H748-S767 PolarHBondContact ND1-OG 3.03Å; S767-D771 WeakPolarHBondContact CB-OD2 3.32Å; S767-D771 VanDerWaalsContact OG-CB 3.31Å; S767-D771 WeakPolarHBondContact OG-CB 3.45Å; S767-D771 VanDerWaalsContact OG-CG 3.25Å; S767-D771 PolarHBondContact OG-OD2 3.28Å; S767-G772 PolarHBondContact OG-N 2.96Å; S767-G772 VanDerWaalsContact OG-N 3.15Å; S767-K773 PolarHBondContact N-O 3.29Å; S767-K773 VanDerWaalsContact N-O 3.1Å; S767-K773 PolarHBondContact OG-N 3.14Å; S767-K773 PolarHBondContact OG-O 2.71Å; S767-K773 VanDerWaalsContact OG-O 3.11Å
768A92.2Very high92Very high11 Ų1129.7 Ų29.79%0.09113%0.129CC..  trans-70167.9172.200000112.8D750 S751 Q753 R770 D771 G772D750-A768 HydrophobicContact CB-CB 4.24Å; D750-A768 VanDerWaalsContact OD2-CB 3.28Å; D750-A768 WeakPolarHBondContact OD2-CB 3.33Å; S751-A768 WeakPolarHBondContact O-CB 3.29Å; S751-A768 PolarHBondContact O-N 2.78Å; Q753-A768 HydrophobicContact CG-CB 4Å; A768-R770 VanDerWaalsContact C-N 3.26Å; A768-R770 PolarHBondContact O-N 3.01Å; A768-D771 PolarHBondContact O-N 3.38Å; A768-G772 PolarHBondContact O-N 2.93Å
769R90.1Very high92Very high135 Ų13530 Ų3051%0.50913%0.13SC..THydrogen-bonded Turntrans-45.9-34.2-168.8-165.1-175.7175.1180-3.2116.2E465 P466 T468 D771E465-R769 IonicContact OE2-CZ 2.67Å; E465-R769 IonicContact OE2-NH2 2.7Å; E465-R769 PolarHBondContact OE2-NH2 2.93Å; P466-R769 WeakPolarHBondContact CB-O 3.28Å; P466-R769 WeakPolarHBondContact O-CG 3.07Å; T468-R769 PolarHBondContact OG1-N 2.96Å; R769-D771 VanDerWaalsContact C-N 3.3Å; R769-D771 PolarHBondContact O-N 2.81Å
770R84.7Confident91.5Very high106 Ų10631.3 Ų31.340%0.415%0.153SC..THydrogen-bonded Turntrans-71-28.9-176.6-64.5-177.4-67165-0.2112.8D724 D750 A768D724-R770 IonicContact OD1-NH1 3.37Å; D724-R770 PolarHBondContact OD1-NH1 3.06Å; D724-R770 IonicContact OD2-CZ 3.32Å; D724-R770 IonicContact OD2-NH1 3.93Å; D724-R770 PolarHBondContact OD2-NH1 3.13Å; D750-R770 HydrophobicContact CB-CB 4.08Å; D750-R770 IonicContact OD1-CZ 2.75Å; D750-R770 IonicContact OD1-NE 3.09Å; D750-R770 PolarHBondContact OD1-NE 3.33Å; D750-R770 IonicContact OD1-NH2 3.27Å; D750-R770 PolarHBondContact OD1-NH2 2.88Å; D750-R770 WeakPolarHBondContact OD2-CB 3.34Å; D750-R770 PolarHBondContact OD2-N 3.34Å; D750-R770 IonicContact OD2-NE 2.66Å; D750-R770 PolarHBondContact OD2-NE 2.99Å; A768-R770 VanDerWaalsContact C-N 3.26Å; A768-R770 PolarHBondContact O-N 3.01Å
771D86.9Confident91.7Very high15 Ų1529.2 Ų29.28%0.0814%0.141CC..THydrogen-bonded Turntrans-99.7-54.3172.7179.439.4000110.3H748 D750 S767 A768 R769 K773H748-D771 WeakPolarHBondContact CB-OD2 3.46Å; H748-D771 IonicContact CE1-OD2 3.67Å; H748-D771 IonicContact CG-OD2 2.91Å; H748-D771 IonicContact ND1-OD2 2.7Å; H748-D771 PolarHBondContact ND1-OD2 3.27Å; D750-D771 HydrophobicContact CB-CB 3.93Å; S767-D771 WeakPolarHBondContact CB-OD2 3.32Å; S767-D771 VanDerWaalsContact OG-CB 3.31Å; S767-D771 WeakPolarHBondContact OG-CB 3.45Å; S767-D771 VanDerWaalsContact OG-CG 3.25Å; S767-D771 PolarHBondContact OG-OD2 3.28Å; A768-D771 PolarHBondContact O-N 3.38Å; R769-D771 VanDerWaalsContact C-N 3.3Å; R769-D771 PolarHBondContact O-N 2.81Å; D771-K773 PolarHBondContact O-N 3.2Å; D771-K773 WeakPolarHBondContact OD1-CD 3.36Å
772G90.5Very high91.8Very high0 Ų026.4 Ų26.40%013%0.133CC..  trans63.524.9173.900000114.4P459 Q467 S767 A768P459-G772 VanDerWaalsContact CD-O 3.31Å; P459-G772 WeakPolarHBondContact CD-O 3.41Å; Q467-G772 WeakPolarHBondContact O-CA 3.28Å; S767-G772 PolarHBondContact OG-N 2.96Å; S767-G772 VanDerWaalsContact OG-N 3.15Å; A768-G772 PolarHBondContact O-N 2.93Å
773K92.6Very high91.8Very high47 Ų4727.1 Ų27.120%0.20414%0.137CC..  trans-113.8165.7-175.3-69.3-178.9-170.7-178.60112D398 I457 N458 H748 S767 D771D398-K773 IonicContact OD2-NZ 3.26Å; D398-K773 PolarHBondContact OD2-NZ 2.88Å; I457-K773 WeakPolarHBondContact O-CA 3.44Å; N458-K773 HydrophobicContact CB-CG 4.23Å; H748-K773 PolarHBondContact CE1-O 3.39Å; S767-K773 PolarHBondContact N-O 3.29Å; S767-K773 VanDerWaalsContact N-O 3.1Å; S767-K773 PolarHBondContact OG-N 3.14Å; S767-K773 PolarHBondContact OG-O 2.71Å; S767-K773 VanDerWaalsContact OG-O 3.11Å; D771-K773 PolarHBondContact O-N 3.2Å; D771-K773 WeakPolarHBondContact OD1-CD 3.36Å
774I95.2Very high91.5Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-115.3127.6174.2-56.9165.9000108.4K456 I457 P459 V469 L472 L492 V494 L764 S765K456-I774 CarbonylContact C-O 3.56Å; K456-I774 VanDerWaalsContact CA-O 3.25Å; K456-I774 WeakPolarHBondContact CA-O 3.34Å; I457-I774 HydrophobicContact CB-CB 4.47Å; I457-I774 PolarHBondContact N-O 3.09Å; I457-I774 PolarHBondContact O-N 3.32Å; P459-I774 HydrophobicContact CG-CD1 4.24Å; P459-I774 HydrophobicContact CG-CG1 4.45Å; V469-I774 HydrophobicContact CG1-CG1 4.2Å; V469-I774 HydrophobicContact CG2-CG1 4.09Å; L472-I774 HydrophobicContact CD1-CG2 4.26Å; L472-I774 HydrophobicContact CD2-CD1 3.7Å; L472-I774 HydrophobicContact CD2-CG1 4.19Å; L492-I774 HydrophobicContact CD2-CD1 4.32Å; V494-I774 HydrophobicContact CB-CD1 4.34Å; V494-I774 HydrophobicContact CG1-CD1 3.79Å; V494-I774 HydrophobicContact CG2-CD1 3.56Å; L764-I774 HydrophobicContact CB-CG2 4.15Å; L764-I774 HydrophobicContact CD2-CG2 4.13Å; S765-I774 CarbonylContact O-C 3.57Å; S765-I774 WeakPolarHBondContact O-CA 3.19Å
775A94.3Very high91.2Very high0 Ų030.5 Ų30.50%015%0.154CC..EExtended strand (participates in β ladder)trans-104137.2171.500000110.5L453 K456 A747 L764 S765 W777L453-A775 HydrophobicContact CD1-CB 3.82Å; K456-A775 HydrophobicContact CG-CB 4.23Å; A747-A775 HydrophobicContact CB-CB 3.57Å; L764-A775 CarbonylContact C-O 3.56Å; L764-A775 VanDerWaalsContact CA-O 3.31Å; L764-A775 WeakPolarHBondContact CA-O 3.39Å; S765-A775 PolarHBondContact N-O 2.94Å; S765-A775 PolarHBondContact O-N 3.39Å; A775-W777 HydrophobicContact CB-CZ2 4.02Å
776I93.9Very high90.8Very high1 Ų132.5 Ų32.51%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-111.1117.2-178.4-61.1161.9000109.2K454 H455 I457 W509 Y762 L764K454-I776 PolarHBondContact N-O 3.15Å; H455-I776 HydrophobicContact CB-CB 4.46Å; H455-I776 HydrophobicContact CB-CD1 4.12Å; H455-I776 PolarHBondContact O-N 2.65Å; I457-I776 HydrophobicContact CD1-CD1 3.55Å; I457-I776 HydrophobicContact CG1-CD1 4.03Å; W509-I776 HydrophobicContact CD2-CD1 3.59Å; W509-I776 HydrophobicContact CE3-CD1 3.71Å; W509-I776 HydrophobicContact CG-CD1 4.24Å; W509-I776 HydrophobicContact CH2-CD1 3.77Å; W509-I776 HydrophobicContact CH2-CG1 4.4Å; W509-I776 HydrophobicContact CH2-CG2 4.46Å; W509-I776 HydrophobicContact CZ2-CD1 3.65Å; W509-I776 HydrophobicContact CZ2-CG1 4.48Å; W509-I776 HydrophobicContact CZ2-CG2 4.12Å; W509-I776 HydrophobicContact CZ3-CD1 3.8Å; Y762-I776 HydrophobicContact CD1-CG2 4.04Å; Y762-I776 HydrophobicContact CG-CG2 4.25Å; L764-I776 HydrophobicContact CD2-CD1 4.47Å; L764-I776 HydrophobicContact CD2-CG1 3.88Å; L764-I776 HydrophobicContact CG-CG1 4.19Å
777W94Very high90.5Very high0 Ų034.9 Ų34.90%018%0.176CC..EExtended strand (participates in β ladder)trans-107132.5-174.4-51101.8000110.5T449 T452 L453 W710 V731 L745 A747 Y762 V763 S765 A775T449-W777 HydrophobicContact CG2-CH2 4.25Å; T449-W777 HydrophobicContact CG2-CZ3 4.03Å; T452-W777 HydrophobicContact CG2-CB 4.25Å; T452-W777 HydrophobicContact CG2-CE3 4.11Å; L453-W777 HydrophobicContact CB-CE3 4Å; L453-W777 HydrophobicContact CB-CZ3 3.8Å; L453-W777 HydrophobicContact CD1-CD2 4.38Å; L453-W777 HydrophobicContact CD1-CE3 4.01Å; L453-W777 HydrophobicContact CD1-CH2 4.37Å; L453-W777 HydrophobicContact CD1-CZ3 3.98Å; L453-W777 HydrophobicContact CG-CZ3 4.41Å; W710-W777 HydrophobicContact CH2-CB 3.82Å; W710-W777 HydrophobicContact CH2-CG 4.46Å; W710-W777 HydrophobicContact CZ3-CB 3.7Å; W710-W777 AromaticContact CZ3-CG 3.87Å; W710-W777 HydrophobicContact CZ3-CG 3.87Å; V731-W777 HydrophobicContact CB-CZ2 4.34Å; V731-W777 HydrophobicContact CG2-CZ2 3.97Å; L745-W777 HydrophobicContact CB-CE3 4.36Å; L745-W777 HydrophobicContact CB-CH2 3.58Å; L745-W777 HydrophobicContact CB-CZ2 4.17Å; L745-W777 HydrophobicContact CB-CZ3 3.72Å; L745-W777 HydrophobicContact CD1-CD2 4.18Å; L745-W777 HydrophobicContact CD1-CE3 3.89Å; L745-W777 HydrophobicContact CD1-CZ3 4.09Å; L745-W777 HydrophobicContact CD2-CZ3 4.37Å; L745-W777 HydrophobicContact CG-CZ3 4.29Å; A747-W777 HydrophobicContact CB-CH2 3.32Å; A747-W777 HydrophobicContact CB-CZ2 3.15Å; Y762-W777 CarbonylContact C-O 3.57Å; Y762-W777 WeakPolarHBondContact CA-O 3.48Å; Y762-W777 WeakPolarHBondContact CB-O 3.19Å; V763-W777 HydrophobicContact CB-CB 4.26Å; V763-W777 PolarHBondContact N-O 3.38Å; V763-W777 WeakPolarHBondContact O-CB 3.36Å; V763-W777 PolarHBondContact O-N 2.98Å; S765-W777 PolarHBondContact OG-NE1 3.14Å; A775-W777 HydrophobicContact CB-CZ2 4.02Å
778Q91.9Very high90.2Very high66 Ų6637.5 Ų37.531%0.30819%0.19SC..EExtended strand (participates in β ladder)trans-77.1130.9170-177.2172.824.900110.6T452 K454 Y762T452-Q778 WeakPolarHBondContact CG2-O 3.16Å; T452-Q778 PolarHBondContact O-N 2.87Å; K454-Q778 HydrophobicContact CD-CB 4.47Å; K454-Q778 VanDerWaalsContact CE-CD 3.44Å; K454-Q778 HydrophobicContact CG-CB 4.01Å; Y762-Q778 HydrophobicContact CD1-CB 4.38Å; Y762-Q778 HydrophobicContact CE1-CB 4.3Å; Y762-Q778 HydrophobicContact CE1-CG 4.43Å
779V90.5Very high90Very high7 Ų739.8 Ų39.84%0.04220%0.198CC..  trans-87.9127.8173.1-176.10000108.3V705 K706 W710 R761 V763V705-V779 HydrophobicContact CG1-CG1 3.98Å; V705-V779 HydrophobicContact CG1-CG2 3.95Å; K706-V779 HydrophobicContact CD-CG1 4.03Å; K706-V779 HydrophobicContact CG-CG1 4.46Å; W710-V779 HydrophobicContact CZ2-CG2 4.16Å; R761-V779 PolarHBondContact O-N 3.21Å; V763-V779 HydrophobicContact CG2-CG2 3.77Å
780A75.8Confident90Very high100 Ų10031.1 Ų31.183%0.82617%0.17SC*.  trans-67.20176.500000111.7K706K706-A780 PolarHBondContact NZ-O 2.76Å

Retrieved 780 of 780 residues in 701.6 ms (Link to these results)

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