A0A077Z607_TRITR Loading...

carnosine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A077Z607, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 364 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
1M52Low63.1Low143 Ų143102.4 Ų102.470%0.70454%0.542SS*.  0130.20-75.8161.475.600107.2D5 L6 D9M1-D5 HydrophobicContact CB-CB 4.18Å; M1-D5 HydrophobicContact CE-CB 4.35Å; M1-D5 HydrophobicContact CG-CB 4.33Å; M1-L6 HydrophobicContact CB-CD1 4.41Å; M1-L6 HydrophobicContact CB-CD2 4.32Å; M1-L6 HydrophobicContact CB-CG 3.91Å; M1-L6 HydrophobicContact CE-CB 4.37Å; M1-L6 HydrophobicContact CE-CD2 3.33Å; M1-L6 HydrophobicContact CE-CG 3.72Å; M1-L6 HydrophobicContact SD-CD2 3.93Å; M1-L6 HydrophobicContact SD-CG 4.46Å; M1-D9 WeakPolarHBondContact CE-OD2 3.38Å
2D61.9Low64.7Low112 Ų112100.7 Ų100.760%0.59953%0.529SS*.  trans-65160.6167.1-161.8-15000108.9H4 D5 L6D2-H4 PolarHBondContact O-N 2.73Å; D2-D5 PolarHBondContact N-OD2 2.87Å; D2-D5 PolarHBondContact O-N 2.7Å; D2-L6 PolarHBondContact O-N 3.02Å
3A49.4Very low66.2Low75 Ų7595.6 Ų95.662%0.6251%0.511SS*.Hα-helixtrans-60.2-25.7175.600000112.1A7A3-A7 PolarHBondContact O-N 3.47Å
4H45.5Very low67.7Low116 Ų11698.6 Ų98.654%0.53752%0.517SS..Hα-helixtrans-67.1-53.1174-166.3-81.5000112D2 L6 A7 E8D2-H4 PolarHBondContact O-N 2.73Å; H4-L6 PolarHBondContact O-N 3.15Å; H4-A7 PolarHBondContact O-N 3.35Å; H4-E8 IonicContact CE1-OE1 3.88Å; H4-E8 PolarHBondContact CE1-OE1 3Å; H4-E8 IonicContact CE1-OE2 2.83Å; H4-E8 VanDerWaalsContact ND1-CD 3.34Å; H4-E8 IonicContact ND1-OE1 3.53Å; H4-E8 IonicContact ND1-OE2 3.63Å; H4-E8 PolarHBondContact ND1-OE2 3.11Å; H4-E8 PolarHBondContact O-N 2.74Å; H4-E8 VanDerWaalsContact O-N 3.08Å
5D61.1Low69.2Low71 Ų7197.1 Ų97.138%0.3851%0.506SS..Hα-helixtrans-56.8-39.8179.2-50.8-29.9000111.2M1 D2 A7 D9M1-D5 HydrophobicContact CB-CB 4.18Å; M1-D5 HydrophobicContact CE-CB 4.35Å; M1-D5 HydrophobicContact CG-CB 4.33Å; D2-D5 PolarHBondContact N-OD2 2.87Å; D2-D5 PolarHBondContact O-N 2.7Å; D5-A7 PolarHBondContact O-N 3.29Å; D5-D9 PolarHBondContact O-N 3.44Å; D5-D9 VanDerWaalsContact O-N 3.12Å
6L53.2Low70.6Confident84 Ų8491.1 Ų91.144%0.4448%0.475SS..Hα-helixtrans-64.2-38.8177.5-76.8165.1000112.8M1 D2 H4 E10M1-L6 HydrophobicContact CB-CD1 4.41Å; M1-L6 HydrophobicContact CB-CD2 4.32Å; M1-L6 HydrophobicContact CB-CG 3.91Å; M1-L6 HydrophobicContact CE-CB 4.37Å; M1-L6 HydrophobicContact CE-CD2 3.33Å; M1-L6 HydrophobicContact CE-CG 3.72Å; M1-L6 HydrophobicContact SD-CD2 3.93Å; M1-L6 HydrophobicContact SD-CG 4.46Å; D2-L6 PolarHBondContact O-N 3.02Å; H4-L6 PolarHBondContact O-N 3.15Å; L6-E10 WeakPolarHBondContact O-CG 3.49Å; L6-E10 PolarHBondContact O-N 2.99Å
7A59.9Low71.8Confident49 Ų4987.1 Ų87.141%0.40545%0.454SS..Hα-helixtrans-72.1-39.5-179.100000111.8A3 H4 D5 E10 E11A3-A7 PolarHBondContact O-N 3.47Å; H4-A7 PolarHBondContact O-N 3.35Å; D5-A7 PolarHBondContact O-N 3.29Å; A7-E10 PolarHBondContact O-N 2.92Å; A7-E11 PolarHBondContact O-N 3.12Å
8E71.6Confident73.1Confident103 Ų10385.6 Ų85.648%0.48145%0.445SS..Hα-helixtrans-62.5-46.1175.3-71.5179.9142.200111.3H4 E10 E11 E12H4-E8 IonicContact CE1-OE1 3.88Å; H4-E8 PolarHBondContact CE1-OE1 3Å; H4-E8 IonicContact CE1-OE2 2.83Å; H4-E8 VanDerWaalsContact ND1-CD 3.34Å; H4-E8 IonicContact ND1-OE1 3.53Å; H4-E8 IonicContact ND1-OE2 3.63Å; H4-E8 PolarHBondContact ND1-OE2 3.11Å; H4-E8 PolarHBondContact O-N 2.74Å; H4-E8 VanDerWaalsContact O-N 3.08Å; E8-E10 VanDerWaalsContact C-N 3.28Å; E8-E10 PolarHBondContact O-N 2.96Å; E8-E11 PolarHBondContact O-N 2.82Å; E8-E12 PolarHBondContact O-N 2.9Å
9D74.9Confident74.2Confident82 Ų8281.2 Ų81.244%0.43942%0.422SS..Hα-helixtrans-59.6-38.2176.2-75.9-5.1000112M1 D5 A13M1-D9 WeakPolarHBondContact CE-OD2 3.38Å; D5-D9 PolarHBondContact O-N 3.44Å; D5-D9 VanDerWaalsContact O-N 3.12Å; D9-A13 VanDerWaalsContact O-CB 3.26Å; D9-A13 WeakPolarHBondContact O-CB 3.38Å; D9-A13 PolarHBondContact O-N 2.77Å
10E79.8Confident75.3Confident145 Ų14577.3 Ų77.368%0.67840%0.402SS*.Hα-helixtrans-68.1-40.5176.5-79.1-175.7-173.100112.6L6 A7 E8 K14L6-E10 WeakPolarHBondContact O-CG 3.49Å; L6-E10 PolarHBondContact O-N 2.99Å; A7-E10 PolarHBondContact O-N 2.92Å; E8-E10 VanDerWaalsContact C-N 3.28Å; E8-E10 PolarHBondContact O-N 2.96Å; E10-K14 WeakPolarHBondContact O-CB 3.28Å; E10-K14 PolarHBondContact O-N 3.41Å
11E84.4Confident76.3Confident146 Ų14673.7 Ų73.768%0.68238%0.384SS*.Hα-helixtrans-67.7-41.9176.5-73.6-167.5169.600111.9A7 E8 K14 H15A7-E11 PolarHBondContact O-N 3.12Å; E8-E11 PolarHBondContact O-N 2.82Å; E11-K14 PolarHBondContact O-N 3.12Å; E11-H15 WeakPolarHBondContact O-CB 3.09Å; E11-H15 PolarHBondContact O-N 3.43Å
12E82.7Confident78.5Confident82 Ų8266.9 Ų66.938%0.38335%0.35SS..Hα-helixtrans-62.8-47.5175.5-171.8175.3179.100110.9E8 K14 H15 Y16 M87E8-E12 PolarHBondContact O-N 2.9Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.42Å; E12-H15 PolarHBondContact O-N 3.36Å; E12-H15 VanDerWaalsContact O-N 3.16Å; E12-Y16 WeakPolarHBondContact O-CB 3.38Å; E12-Y16 PolarHBondContact O-N 3.18Å; E12-M87 HydrophobicContact CG-CE 4.21Å; E12-M87 HydrophobicContact CG-SD 4.39Å; E12-M87 WeakPolarHBondContact OE1-CE 3.35Å
13A84.1Confident80.2Confident35 Ų3561.5 Ų61.529%0.28932%0.321SS..Hα-helixtrans-59.3-40.4176.100000111.9D9 Y16 V17D9-A13 VanDerWaalsContact O-CB 3.26Å; D9-A13 WeakPolarHBondContact O-CB 3.38Å; D9-A13 PolarHBondContact O-N 2.77Å; A13-Y16 WeakPolarHBondContact O-CB 3.31Å; A13-Y16 PolarHBondContact O-N 3.33Å; A13-V17 WeakPolarHBondContact O-CG2 3.23Å; A13-V17 PolarHBondContact O-N 3.49Å
14K88.1Confident82.4Confident138 Ų13859.6 Ų59.660%0.630%0.3SS*.Hα-helixtrans-65.4-44.2175.5-177.6-176.9176.8-173.10111.7E10 E11 E12 Y16 V17 Q18E10-K14 WeakPolarHBondContact O-CB 3.28Å; E10-K14 PolarHBondContact O-N 3.41Å; E11-K14 PolarHBondContact O-N 3.12Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.42Å; K14-Y16 VanDerWaalsContact C-N 3.25Å; K14-Y16 PolarHBondContact O-N 2.87Å; K14-V17 PolarHBondContact O-N 2.86Å; K14-Q18 WeakPolarHBondContact O-CG 3.09Å; K14-Q18 PolarHBondContact O-N 2.96Å
15H89.7Confident84.9Confident76 Ų7655.2 Ų55.235%0.35228%0.28SS..Hα-helixtrans-60.8-39.1176.3-172.256.8000111.1E11 E12 Q18 A19 L180E11-H15 WeakPolarHBondContact O-CB 3.09Å; E11-H15 PolarHBondContact O-N 3.43Å; E12-H15 PolarHBondContact O-N 3.36Å; E12-H15 VanDerWaalsContact O-N 3.16Å; H15-Q18 WeakPolarHBondContact O-CB 3.43Å; H15-Q18 PolarHBondContact O-N 2.88Å; H15-A19 PolarHBondContact O-N 2.93Å; H15-L180 WeakPolarHBondContact CD2-CD1 3.19Å
16Y90.8Very high86.6Confident1 Ų151.9 Ų51.90%0.00426%0.262CS..Hα-helixtrans-61.2-49.7174.6-156.1-92.5000113.5E12 A13 K14 Q18 A19 V20 V80 M83 F84 I89 V91 L180 F184E12-Y16 WeakPolarHBondContact O-CB 3.38Å; E12-Y16 PolarHBondContact O-N 3.18Å; A13-Y16 WeakPolarHBondContact O-CB 3.31Å; A13-Y16 PolarHBondContact O-N 3.33Å; K14-Y16 VanDerWaalsContact C-N 3.25Å; K14-Y16 PolarHBondContact O-N 2.87Å; Y16-Q18 VanDerWaalsContact C-N 3.26Å; Y16-Q18 PolarHBondContact O-N 3.34Å; Y16-A19 WeakPolarHBondContact O-CB 3.4Å; Y16-A19 PolarHBondContact O-N 3Å; Y16-A19 VanDerWaalsContact O-N 3.1Å; Y16-V20 HydrophobicContact CD1-CG2 4.21Å; Y16-V20 HydrophobicContact CE1-CG2 4.26Å; Y16-V20 PolarHBondContact O-N 2.89Å; Y16-V80 HydrophobicContact CE1-CB 4.3Å; Y16-V80 HydrophobicContact CE1-CG2 4.06Å; Y16-V80 WeakPolarHBondContact OH-CB 3.23Å; Y16-V80 PolarHBondContact OH-O 3.38Å; Y16-M83 HydrophobicContact CE2-CE 4.28Å; Y16-F84 HydrophobicContact CD2-CE2 4.15Å; Y16-F84 HydrophobicContact CE2-CD2 4.06Å; Y16-F84 AromaticContact CE2-CE2 3.51Å; Y16-F84 HydrophobicContact CE2-CE2 3.51Å; Y16-F84 HydrophobicContact CE2-CZ 4.47Å; Y16-I89 VanDerWaalsContact CB-CD1 3.45Å; Y16-I89 HydrophobicContact CD1-CB 4Å; Y16-I89 HydrophobicContact CD1-CD1 3.45Å; Y16-I89 VanDerWaalsContact CD1-CD1 3.45Å; Y16-I89 HydrophobicContact CD1-CG1 4.3Å; Y16-I89 HydrophobicContact CD1-CG2 3.71Å; Y16-I89 HydrophobicContact CD2-CD1 3.4Å; Y16-I89 VanDerWaalsContact CD2-CD1 3.4Å; Y16-I89 HydrophobicContact CE1-CB 4.08Å; Y16-I89 HydrophobicContact CE1-CD1 3.91Å; Y16-I89 HydrophobicContact CE1-CG2 4.22Å; Y16-I89 HydrophobicContact CE2-CD1 3.88Å; Y16-I89 HydrophobicContact CG-CD1 3.14Å; Y16-I89 HydrophobicContact CG-CG1 4.39Å; Y16-I89 HydrophobicContact CG-CG2 4.34Å; Y16-V91 HydrophobicContact CD1-CG2 4.39Å; Y16-V91 HydrophobicContact CE1-CG2 4.12Å; Y16-L180 HydrophobicContact CD2-CD1 3.83Å; Y16-L180 HydrophobicContact CD2-CD2 4Å; Y16-L180 HydrophobicContact CE2-CD2 4.18Å; Y16-L180 HydrophobicContact CG-CD1 4.39Å; Y16-F184 HydrophobicContact CD1-CZ 4.16Å; Y16-F184 HydrophobicContact CD2-CE1 4.05Å; Y16-F184 AromaticContact CD2-CZ 4Å; Y16-F184 HydrophobicContact CD2-CZ 4Å; Y16-F184 HydrophobicContact CE1-CE1 4.15Å; Y16-F184 AromaticContact CE1-CZ 3.88Å; Y16-F184 HydrophobicContact CE1-CZ 3.88Å; Y16-F184 AromaticContact CE2-CE1 3.34Å; Y16-F184 HydrophobicContact CE2-CE1 3.34Å; Y16-F184 AromaticContact CE2-CZ 3.66Å; Y16-F184 HydrophobicContact CE2-CZ 3.66Å; Y16-F184 HydrophobicContact CG-CZ 4.23Å; Y16-F184 AromaticContact CZ-CE1 3.41Å; Y16-F184 VanDerWaalsContact CZ-CE1 3.41Å; Y16-F184 AromaticContact CZ-CZ 3.62Å; Y16-F184 WeakPolarHBondContact OH-CE1 3.46Å
17V92Very high88.8Confident22 Ų2252.4 Ų52.413%0.13326%0.259CS..Hα-helixtrans-61.9-37176.7171.70000110.9A13 K14 S21 P92 L97 P98A13-V17 WeakPolarHBondContact O-CG2 3.23Å; A13-V17 PolarHBondContact O-N 3.49Å; K14-V17 PolarHBondContact O-N 2.86Å; V17-S21 VanDerWaalsContact O-CB 3.26Å; V17-S21 WeakPolarHBondContact O-CB 3.48Å; V17-S21 PolarHBondContact O-N 3.2Å; V17-P92 HydrophobicContact CG1-CG 4.11Å; V17-P92 HydrophobicContact CG2-CG 4.23Å; V17-L97 HydrophobicContact CG1-CD2 4.01Å; V17-P98 VanDerWaalsContact CG1-CD 3.48Å; V17-P98 HydrophobicContact CG1-CG 3.96Å
18Q94.5Very high90.6Very high60 Ų6053.5 Ų53.528%0.2827%0.267SS..Hα-helixtrans-64.5-41.8172.8-73.6177.7-16.700112.2K14 H15 Y16 S21 T22 V100K14-Q18 WeakPolarHBondContact O-CG 3.09Å; K14-Q18 PolarHBondContact O-N 2.96Å; H15-Q18 WeakPolarHBondContact O-CB 3.43Å; H15-Q18 PolarHBondContact O-N 2.88Å; Y16-Q18 VanDerWaalsContact C-N 3.26Å; Y16-Q18 PolarHBondContact O-N 3.34Å; Q18-S21 PolarHBondContact O-N 2.95Å; Q18-T22 PolarHBondContact O-N 3.28Å; Q18-T22 PolarHBondContact O-OG1 3.02Å; Q18-V100 HydrophobicContact CB-CG1 4.3Å
19A95.3Very high91.8Very high2 Ų249.6 Ų49.62%0.01725%0.249CC..Hα-helixtrans-60.2-50.1175.700000110.5H15 Y16 S21 T22 F23 L180 L181 F184H15-A19 PolarHBondContact O-N 2.93Å; Y16-A19 WeakPolarHBondContact O-CB 3.4Å; Y16-A19 PolarHBondContact O-N 3Å; Y16-A19 VanDerWaalsContact O-N 3.1Å; A19-S21 VanDerWaalsContact C-N 3.3Å; A19-S21 PolarHBondContact O-N 2.63Å; A19-T22 WeakPolarHBondContact O-CB 3.38Å; A19-T22 PolarHBondContact O-N 3.21Å; A19-T22 VanDerWaalsContact O-N 3.08Å; A19-F23 WeakPolarHBondContact O-CD2 3.43Å; A19-F23 PolarHBondContact O-N 2.74Å; A19-L180 HydrophobicContact CB-CB 3.78Å; A19-L180 HydrophobicContact CB-CD1 3.93Å; A19-L181 HydrophobicContact CB-CD2 4.14Å; A19-F184 HydrophobicContact CB-CE2 3.63Å; A19-F184 HydrophobicContact CB-CZ 3.87Å
20V95.5Very high92.9Very high4 Ų445.9 Ų45.92%0.02423%0.23CC..Hα-helixtrans-58.4-43.9175.7176.60000111.4Y16 T22 F23 M24 I77 V80 V91 L97 F184Y16-V20 HydrophobicContact CD1-CG2 4.21Å; Y16-V20 HydrophobicContact CE1-CG2 4.26Å; Y16-V20 PolarHBondContact O-N 2.89Å; V20-T22 PolarHBondContact O-N 2.66Å; V20-F23 PolarHBondContact O-N 2.88Å; V20-M24 HydrophobicContact CG1-CG 4.38Å; V20-M24 PolarHBondContact O-N 3.29Å; V20-I77 HydrophobicContact CG1-CD1 4.17Å; V20-V80 HydrophobicContact CG2-CG2 3.98Å; V20-V91 HydrophobicContact CB-CG1 4.3Å; V20-V91 HydrophobicContact CG1-CG1 3.73Å; V20-V91 HydrophobicContact CG2-CG1 4.21Å; V20-V91 HydrophobicContact CG2-CG2 4.22Å; V20-L97 HydrophobicContact CG1-CD1 4.36Å; V20-L97 HydrophobicContact CG1-CD2 4.38Å; V20-F184 HydrophobicContact CG2-CE2 3.76Å; V20-F184 HydrophobicContact CG2-CZ 4.03Å
21S96Very high93.8Very high1 Ų140.6 Ų40.61%0.00721%0.205CC..Hα-helixtrans-62.3-33.2178.8-164.90000112.7V17 Q18 A19 M24 Q25 P98V17-S21 VanDerWaalsContact O-CB 3.26Å; V17-S21 WeakPolarHBondContact O-CB 3.48Å; V17-S21 PolarHBondContact O-N 3.2Å; Q18-S21 PolarHBondContact O-N 2.95Å; A19-S21 VanDerWaalsContact C-N 3.3Å; A19-S21 PolarHBondContact O-N 2.63Å; S21-M24 PolarHBondContact O-N 3.43Å; S21-Q25 WeakPolarHBondContact O-CB 3.06Å; S21-Q25 WeakPolarHBondContact O-CG 3.26Å; S21-Q25 PolarHBondContact O-N 2.95Å; S21-Q25 PolarHBondContact OG-NE2 3.36Å; S21-P98 WeakPolarHBondContact CB-O 3.4Å; S21-P98 PolarHBondContact OG-O 3.02Å
22T97.7Very high94.4Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-59.7-49.4174.1-53.10000111Q18 A19 V20 M24 Q25 Y26 Q104 I105 L108 L181Q18-T22 PolarHBondContact O-N 3.28Å; Q18-T22 PolarHBondContact O-OG1 3.02Å; A19-T22 WeakPolarHBondContact O-CB 3.38Å; A19-T22 PolarHBondContact O-N 3.21Å; A19-T22 VanDerWaalsContact O-N 3.08Å; V20-T22 PolarHBondContact O-N 2.66Å; T22-M24 PolarHBondContact O-N 2.9Å; T22-Q25 PolarHBondContact O-N 3.08Å; T22-Y26 PolarHBondContact O-N 2.82Å; T22-Q104 HydrophobicContact CG2-CG 4.09Å; T22-Q104 WeakPolarHBondContact CG2-O 3.42Å; T22-Q104 PolarHBondContact OG1-NE2 2.97Å; T22-I105 HydrophobicContact CG2-CB 4.48Å; T22-I105 HydrophobicContact CG2-CG1 4.36Å; T22-L108 HydrophobicContact CG2-CD1 4.07Å; T22-L108 HydrophobicContact CG2-CG 4.09Å; T22-L108 WeakPolarHBondContact O-CD1 3.5Å; T22-L181 HydrophobicContact CG2-CD2 4.29Å
23F97.7Very high95.1Very high0 Ų036.1 Ų36.10%019%0.186CC..Hα-helixtrans-60.6-44.7175.1-78.9-106.1000111.5A19 V20 Q25 Y26 F70 L73 I76 I77 L108 L181 F184A19-F23 WeakPolarHBondContact O-CD2 3.43Å; A19-F23 PolarHBondContact O-N 2.74Å; V20-F23 PolarHBondContact O-N 2.88Å; F23-Q25 VanDerWaalsContact C-N 3.3Å; F23-Q25 PolarHBondContact O-N 3.16Å; F23-Y26 VanDerWaalsContact O-CB 3.29Å; F23-Y26 WeakPolarHBondContact O-CB 3.42Å; F23-Y26 PolarHBondContact O-N 3.33Å; F23-F70 WeakPolarHBondContact O-CE2 3.43Å; F23-L73 HydrophobicContact CD1-CB 3.96Å; F23-L73 HydrophobicContact CD1-CD2 3.68Å; F23-L73 HydrophobicContact CD1-CG 4.36Å; F23-L73 WeakPolarHBondContact CD1-O 3.29Å; F23-L73 HydrophobicContact CE1-CD2 3.6Å; F23-I76 HydrophobicContact CD1-CG2 4.37Å; F23-I76 HydrophobicContact CE1-CB 4.24Å; F23-I76 HydrophobicContact CE1-CG2 3.63Å; F23-I76 HydrophobicContact CZ-CG2 4.13Å; F23-I77 HydrophobicContact CB-CD1 3.97Å; F23-I77 HydrophobicContact CB-CG2 3.67Å; F23-I77 HydrophobicContact CD1-CG2 3.63Å; F23-I77 HydrophobicContact CD2-CG2 3.88Å; F23-I77 HydrophobicContact CE1-CG2 4.21Å; F23-I77 HydrophobicContact CE2-CG2 4.39Å; F23-I77 HydrophobicContact CG-CG2 3.46Å; F23-I77 VanDerWaalsContact CG-CG2 3.46Å; F23-L108 HydrophobicContact CD1-CD2 4.17Å; F23-L108 HydrophobicContact CD2-CD2 4.08Å; F23-L108 HydrophobicContact CE1-CD2 4.04Å; F23-L108 HydrophobicContact CE2-CD2 3.97Å; F23-L108 HydrophobicContact CG-CD2 4.18Å; F23-L108 HydrophobicContact CZ-CD2 3.93Å; F23-L181 HydrophobicContact CD2-CD2 3.96Å; F23-L181 HydrophobicContact CE2-CB 4.17Å; F23-L181 HydrophobicContact CE2-CD2 3.46Å; F23-L181 VanDerWaalsContact CE2-CD2 3.46Å; F23-L181 HydrophobicContact CE2-CG 4.4Å; F23-L181 HydrophobicContact CZ-CB 4.48Å; F23-L181 HydrophobicContact CZ-CD2 4.49Å; F23-F184 HydrophobicContact CD2-CD2 4.08Å; F23-F184 HydrophobicContact CE2-CB 4.38Å; F23-F184 AromaticContact CE2-CD2 3.66Å; F23-F184 HydrophobicContact CE2-CD2 3.66Å; F23-F184 HydrophobicContact CE2-CE2 4.48Å; F23-F184 HydrophobicContact CE2-CG 4.46Å; F23-F184 HydrophobicContact CZ-CB 4.14Å; F23-F184 HydrophobicContact CZ-CD2 4.24Å
24M96.4Very high95.7Very high34 Ų3434.8 Ų34.817%0.16717%0.174CC..Hα-helixtrans-67.3-26.9-177.7-74-61-72.500114.2V20 S21 T22 R74 I77 K94 L97V20-M24 HydrophobicContact CG1-CG 4.38Å; V20-M24 PolarHBondContact O-N 3.29Å; S21-M24 PolarHBondContact O-N 3.43Å; T22-M24 PolarHBondContact O-N 2.9Å; M24-R74 HydrophobicContact SD-CG 4.28Å; M24-I77 HydrophobicContact CG-CD1 3.65Å; M24-I77 HydrophobicContact SD-CD1 3.53Å; M24-I77 VanDerWaalsContact SD-CD1 3.53Å; M24-K94 HydrophobicContact CE-CB 4.07Å; M24-K94 HydrophobicContact CE-CD 3.54Å; M24-K94 HydrophobicContact CE-CG 3.57Å; M24-L97 HydrophobicContact CB-CD1 3.91Å; M24-L97 HydrophobicContact CG-CD1 3.68Å
25Q97.1Very high96.2Very high25 Ų2535.2 Ų35.212%0.11718%0.176CC..Hα-helixtrans-90.1-10178.9-70.8178.359.900114S21 T22 F23 Y27 A28 H29 P98 I105S21-Q25 WeakPolarHBondContact O-CB 3.06Å; S21-Q25 WeakPolarHBondContact O-CG 3.26Å; S21-Q25 PolarHBondContact O-N 2.95Å; S21-Q25 PolarHBondContact OG-NE2 3.36Å; T22-Q25 PolarHBondContact O-N 3.08Å; F23-Q25 VanDerWaalsContact C-N 3.3Å; F23-Q25 PolarHBondContact O-N 3.16Å; Q25-Y27 VanDerWaalsContact C-N 3.3Å; Q25-Y27 PolarHBondContact O-N 3Å; Q25-Y27 VanDerWaalsContact O-N 3.15Å; Q25-A28 PolarHBondContact O-N 3.18Å; Q25-H29 WeakPolarHBondContact O-CB 3.48Å; Q25-H29 PolarHBondContact O-N 3.46Å; Q25-P98 PolarHBondContact NE2-O 3.33Å; Q25-I105 HydrophobicContact CB-CD1 3.7Å; Q25-I105 HydrophobicContact CB-CG1 4.49Å
26Y98.3Very high96.6Very high1 Ų136.1 Ų36.10%0.00418%0.18CC..Hα-helixtrans-45.6-49-179.5171.4-97.4000113.9T22 F23 S30 I66 N69 F70 L73 L108 L112 H206T22-Y26 PolarHBondContact O-N 2.82Å; F23-Y26 VanDerWaalsContact O-CB 3.29Å; F23-Y26 WeakPolarHBondContact O-CB 3.42Å; F23-Y26 PolarHBondContact O-N 3.33Å; Y26-S30 WeakPolarHBondContact CE2-OG 3.5Å; Y26-S30 VanDerWaalsContact O-CB 3.22Å; Y26-S30 WeakPolarHBondContact O-CB 3.3Å; Y26-S30 PolarHBondContact O-N 3.31Å; Y26-S30 PolarHBondContact O-OG 3.01Å; Y26-I66 HydrophobicContact CE1-CG2 4.1Å; Y26-N69 HydrophobicContact CE1-CB 3.87Å; Y26-N69 WeakPolarHBondContact OH-CB 3.3Å; Y26-N69 PolarHBondContact OH-ND2 3Å; Y26-F70 HydrophobicContact CD1-CB 3.86Å; Y26-F70 AromaticContact CD1-CD2 3.98Å; Y26-F70 HydrophobicContact CD1-CD2 3.98Å; Y26-F70 HydrophobicContact CD1-CG 4.32Å; Y26-F70 HydrophobicContact CE1-CB 4.16Å; Y26-L73 HydrophobicContact CD1-CD1 3.55Å; Y26-L73 HydrophobicContact CD2-CD1 3.67Å; Y26-L73 HydrophobicContact CE1-CD1 3.88Å; Y26-L73 HydrophobicContact CE2-CD1 3.98Å; Y26-L73 HydrophobicContact CG-CD1 3.43Å; Y26-L73 VanDerWaalsContact CG-CD1 3.43Å; Y26-L108 HydrophobicContact CD2-CB 4.09Å; Y26-L108 HydrophobicContact CD2-CD1 3.81Å; Y26-L108 HydrophobicContact CG-CD1 4.15Å; Y26-L112 HydrophobicContact CE2-CD1 4.32Å; Y26-H206 AromaticContact CE2-NE2 3.45Å; Y26-H206 WeakPolarHBondContact CE2-NE2 3.16Å; Y26-H206 AromaticContact CZ-NE2 3.54Å; Y26-H206 PolarHBondContact OH-NE2 3.23Å
27Y98.2Very high96.9Very high95 Ų9538.1 Ų38.137%0.37319%0.189SC..Hα-helixtrans-64.9-49.3-176-179.3-93.7000111.9Q25 H29 S30 M31 I66 A67 F70Q25-Y27 VanDerWaalsContact C-N 3.3Å; Q25-Y27 PolarHBondContact O-N 3Å; Q25-Y27 VanDerWaalsContact O-N 3.15Å; Y27-H29 VanDerWaalsContact C-N 3.34Å; Y27-H29 PolarHBondContact O-N 3.5Å; Y27-S30 PolarHBondContact O-N 3.16Å; Y27-M31 HydrophobicContact CD1-CG 4.23Å; Y27-M31 HydrophobicContact CD2-CG 4.48Å; Y27-M31 HydrophobicContact CE1-CG 3.88Å; Y27-M31 HydrophobicContact CE2-CG 4.13Å; Y27-M31 WeakPolarHBondContact O-CB 3.23Å; Y27-M31 WeakPolarHBondContact O-CG 3.47Å; Y27-M31 PolarHBondContact O-N 3.12Å; Y27-I66 HydrophobicContact CD2-CG2 3.76Å; Y27-I66 HydrophobicContact CE2-CG2 4.14Å; Y27-A67 HydrophobicContact CE2-CB 4Å; Y27-F70 HydrophobicContact CD2-CB 4.19Å; Y27-F70 HydrophobicContact CD2-CD1 4.17Å; Y27-F70 HydrophobicContact CD2-CG 4.39Å; Y27-F70 HydrophobicContact CG-CD1 4.05Å; Y27-F70 HydrophobicContact CG-CE1 4.49Å; Y27-F70 HydrophobicContact CG-CG 4.37Å
28A97.3Very high97.2Very high71 Ų7140 Ų4059%0.58720%0.201SC*.Hα-helixtrans-62.9-43.9-178.700000111.1Q25 M31 K32Q25-A28 PolarHBondContact O-N 3.18Å; A28-M31 PolarHBondContact O-N 2.99Å; A28-K32 PolarHBondContact O-N 2.97Å
29H97.9Very high97.4Very high22 Ų2244.4 Ų44.410%0.10222%0.218CC..Hα-helixtrans-60.1-53.7175.2-178.962.6000112.1Q25 Y27 M31 K32 D102 I105 D106Q25-H29 WeakPolarHBondContact O-CB 3.48Å; Q25-H29 PolarHBondContact O-N 3.46Å; Y27-H29 VanDerWaalsContact C-N 3.34Å; Y27-H29 PolarHBondContact O-N 3.5Å; H29-M31 VanDerWaalsContact C-N 3.26Å; H29-M31 PolarHBondContact O-N 2.93Å; H29-K32 WeakPolarHBondContact O-CB 3.27Å; H29-K32 PolarHBondContact O-N 2.89Å; H29-D102 IonicContact ND1-OD1 3.3Å; H29-I105 HydrophobicContact CB-CB 4.35Å; H29-I105 HydrophobicContact CB-CD1 3.81Å; H29-I105 HydrophobicContact CB-CG2 3.74Å; H29-I105 VanDerWaalsContact CD2-CG2 3.43Å; H29-I105 WeakPolarHBondContact CD2-CG2 3.37Å; H29-D106 IonicContact CD2-OD1 3.64Å; H29-D106 IonicContact CE1-OD1 2.76Å; H29-D106 IonicContact NE2-OD1 2.76Å; H29-D106 PolarHBondContact NE2-OD1 3.43Å
30S98.3Very high97.4Very high3 Ų353 Ų532%0.02125%0.251CS..Hα-helixtrans-61-35.6-179.2-58.50000112.3Y26 Y27 K32 T33 I34 H206Y26-S30 WeakPolarHBondContact CE2-OG 3.5Å; Y26-S30 VanDerWaalsContact O-CB 3.22Å; Y26-S30 WeakPolarHBondContact O-CB 3.3Å; Y26-S30 PolarHBondContact O-N 3.31Å; Y26-S30 PolarHBondContact O-OG 3.01Å; Y27-S30 PolarHBondContact O-N 3.16Å; S30-K32 VanDerWaalsContact C-N 3.3Å; S30-K32 PolarHBondContact O-N 2.82Å; S30-T33 PolarHBondContact O-N 3.36Å; S30-I34 PolarHBondContact O-N 3.25Å; S30-H206 PolarHBondContact OG-CE1 2.99Å
31M98.3Very high97.5Very high34 Ų3453.8 Ų53.817%0.16725%0.253CS..Hα-helixtrans-70.9-21.9176.5-72.3-59-64.300113.4Y27 A28 H29 I34 K35 I66Y27-M31 HydrophobicContact CD1-CG 4.23Å; Y27-M31 HydrophobicContact CD2-CG 4.48Å; Y27-M31 HydrophobicContact CE1-CG 3.88Å; Y27-M31 HydrophobicContact CE2-CG 4.13Å; Y27-M31 WeakPolarHBondContact O-CB 3.23Å; Y27-M31 WeakPolarHBondContact O-CG 3.47Å; Y27-M31 PolarHBondContact O-N 3.12Å; A28-M31 PolarHBondContact O-N 2.99Å; H29-M31 VanDerWaalsContact C-N 3.26Å; H29-M31 PolarHBondContact O-N 2.93Å; M31-I34 HydrophobicContact CE-CG2 4.46Å; M31-I34 PolarHBondContact O-N 2.96Å; M31-I34 HydrophobicContact SD-CB 4.49Å; M31-I34 HydrophobicContact SD-CG1 4.32Å; M31-K35 VanDerWaalsContact O-CG 3.29Å; M31-K35 WeakPolarHBondContact O-CG 3.41Å; M31-K35 PolarHBondContact O-N 2.83Å; M31-I66 HydrophobicContact CG-CG2 4.44Å; M31-I66 HydrophobicContact SD-CD1 4.16Å; M31-I66 HydrophobicContact SD-CG2 4.43Å
32K97.7Very high97.5Very high91 Ų9158 Ų5840%0.39628%0.279SS..Hα-helixtrans-61.7-47.2171.4-176.6-177.7168.4-173.80110.3A28 H29 S30 I34 K35 E36 D102A28-K32 PolarHBondContact O-N 2.97Å; H29-K32 WeakPolarHBondContact O-CB 3.27Å; H29-K32 PolarHBondContact O-N 2.89Å; S30-K32 VanDerWaalsContact C-N 3.3Å; S30-K32 PolarHBondContact O-N 2.82Å; K32-I34 VanDerWaalsContact C-N 3.29Å; K32-I34 PolarHBondContact O-N 2.83Å; K32-K35 PolarHBondContact O-N 2.82Å; K32-K35 VanDerWaalsContact O-N 3.15Å; K32-E36 WeakPolarHBondContact O-CG 3.47Å; K32-E36 PolarHBondContact O-N 3.08Å; K32-D102 IonicContact NZ-OD2 3.93Å; K32-D102 PolarHBondContact NZ-OD2 3.05Å
33T96.1Very high97.5Very high43 Ų4361.7 Ų61.726%0.26431%0.309SS..Hα-helixtrans-59-39.6175.6-52.40000112.2S30 K37 W208S30-T33 PolarHBondContact O-N 3.36Å; T33-K37 HydrophobicContact CG2-CD 4.26Å; T33-K37 WeakPolarHBondContact O-CG 3.34Å; T33-K37 PolarHBondContact O-N 3.41Å; T33-K37 VanDerWaalsContact O-N 3.08Å; T33-W208 HydrophobicContact CG2-CZ2 4.47Å
34I98Very high97.5Very high7 Ų764.1 Ų64.14%0.03632%0.322CS..Hα-helixtrans-66-47.1174.9-60.8-55.8000111.4S30 M31 K32 E36 K37 V38 V62 S63 I66 W208S30-I34 PolarHBondContact O-N 3.25Å; M31-I34 HydrophobicContact CE-CG2 4.46Å; M31-I34 PolarHBondContact O-N 2.96Å; M31-I34 HydrophobicContact SD-CB 4.49Å; M31-I34 HydrophobicContact SD-CG1 4.32Å; K32-I34 VanDerWaalsContact C-N 3.29Å; K32-I34 PolarHBondContact O-N 2.83Å; I34-E36 VanDerWaalsContact C-N 3.27Å; I34-E36 PolarHBondContact O-N 2.86Å; I34-K37 PolarHBondContact O-N 3.46Å; I34-K37 VanDerWaalsContact O-N 3.1Å; I34-V38 HydrophobicContact CG2-CG2 4.22Å; I34-V38 WeakPolarHBondContact O-CG2 3.31Å; I34-V38 PolarHBondContact O-N 3.09Å; I34-V62 HydrophobicContact CD1-CB 4.22Å; I34-V62 HydrophobicContact CD1-CG1 3.63Å; I34-S63 WeakPolarHBondContact CG2-OG 3.26Å; I34-I66 HydrophobicContact CD1-CD1 4.02Å; I34-I66 HydrophobicContact CG1-CD1 3.53Å; I34-W208 HydrophobicContact CD1-CH2 3.74Å; I34-W208 HydrophobicContact CD1-CZ2 3.72Å
35K98.1Very high97.6Very high147 Ų14765.2 Ų65.264%0.63933%0.333SS*.Hα-helixtrans-57.7-42178.4-74.3171.6-176.9178.20111.5M31 K32 V38 K39M31-K35 VanDerWaalsContact O-CG 3.29Å; M31-K35 WeakPolarHBondContact O-CG 3.41Å; M31-K35 PolarHBondContact O-N 2.83Å; K32-K35 PolarHBondContact O-N 2.82Å; K32-K35 VanDerWaalsContact O-N 3.15Å; K35-V38 PolarHBondContact O-N 2.64Å; K35-K39 WeakPolarHBondContact O-CB 3.4Å; K35-K39 PolarHBondContact O-N 3Å
36E97.6Very high97.6Very high95 Ų9571.6 Ų71.644%0.44436%0.363SS..Hα-helixtrans-62-44.5175.1-72.5174.3-177.100111.7K32 I34 K39 W40K32-E36 WeakPolarHBondContact O-CG 3.47Å; K32-E36 PolarHBondContact O-N 3.08Å; I34-E36 VanDerWaalsContact C-N 3.27Å; I34-E36 PolarHBondContact O-N 2.86Å; E36-K39 WeakPolarHBondContact O-CB 3.37Å; E36-K39 PolarHBondContact O-N 3.08Å; E36-W40 PolarHBondContact O-N 2.92Å
37K97.6Very high97.6Very high44 Ų4480.5 Ų80.519%0.19140%0.396CS..Hα-helixtrans-65.2-39.9176.9-72.5169.1-171.3-81.80112.9T33 I34 K39 W40 Y41 L59 W208T33-K37 HydrophobicContact CG2-CD 4.26Å; T33-K37 WeakPolarHBondContact O-CG 3.34Å; T33-K37 PolarHBondContact O-N 3.41Å; T33-K37 VanDerWaalsContact O-N 3.08Å; I34-K37 PolarHBondContact O-N 3.46Å; I34-K37 VanDerWaalsContact O-N 3.1Å; K37-K39 VanDerWaalsContact C-N 3.34Å; K37-W40 PolarHBondContact O-N 2.85Å; K37-Y41 WeakPolarHBondContact O-CB 3.25Å; K37-Y41 PolarHBondContact O-N 2.8Å; K37-L59 HydrophobicContact CB-CD1 4.22Å; K37-L59 HydrophobicContact CB-CD2 3.98Å; K37-L59 HydrophobicContact CD-CD2 4.3Å; K37-W208 HydrophobicContact CD-CD2 3.93Å; K37-W208 HydrophobicContact CD-CE3 3.87Å; K37-W208 HydrophobicContact CD-CH2 3.42Å; K37-W208 VanDerWaalsContact CD-CH2 3.42Å; K37-W208 HydrophobicContact CD-CZ2 3.5Å; K37-W208 VanDerWaalsContact CD-CZ2 3.5Å; K37-W208 HydrophobicContact CD-CZ3 3.62Å; K37-W208 VanDerWaalsContact CE-CZ2 3.49Å; K37-W208 VanDerWaalsContact NZ-CG 3.27Å
38V97.7Very high97.6Very high62 Ų6280.3 Ų80.338%0.37640%0.399SS..Hα-helixtrans-61.5-44173172.20000110.3I34 K35 W40 Y41 V42 L59I34-V38 HydrophobicContact CG2-CG2 4.22Å; I34-V38 WeakPolarHBondContact O-CG2 3.31Å; I34-V38 PolarHBondContact O-N 3.09Å; K35-V38 PolarHBondContact O-N 2.64Å; V38-W40 VanDerWaalsContact C-N 3.32Å; V38-W40 PolarHBondContact O-N 2.81Å; V38-Y41 PolarHBondContact O-N 2.92Å; V38-V42 HydrophobicContact CG1-CG2 4.22Å; V38-V42 WeakPolarHBondContact O-CG2 3.41Å; V38-V42 PolarHBondContact O-N 3.05Å; V38-L59 HydrophobicContact CG2-CD1 3.76Å
39K97.9Very high97.6Very high151 Ų15180.5 Ų80.566%0.65738%0.384SS*.Hα-helixtrans-56.5-45.9175.6178.5-174.6175-175.20111.3K35 E36 K37 A43K35-K39 WeakPolarHBondContact O-CB 3.4Å; K35-K39 PolarHBondContact O-N 3Å; E36-K39 WeakPolarHBondContact O-CB 3.37Å; E36-K39 PolarHBondContact O-N 3.08Å; K37-K39 VanDerWaalsContact C-N 3.34Å; K39-A43 WeakPolarHBondContact O-CB 3.31Å; K39-A43 PolarHBondContact O-N 3.13Å; K39-A43 VanDerWaalsContact O-N 3.08Å
40W97.1Very high97.6Very high183 Ų18383.4 Ų83.469%0.69341%0.407SS*.Hα-helixtrans-64.7-41.4176.7-71.5118.5000113E36 K37 V38 A43 L44E36-W40 PolarHBondContact O-N 2.92Å; K37-W40 PolarHBondContact O-N 2.85Å; V38-W40 VanDerWaalsContact C-N 3.32Å; V38-W40 PolarHBondContact O-N 2.81Å; W40-A43 PolarHBondContact O-N 2.99Å; W40-L44 PolarHBondContact O-N 3.13Å
41Y97.3Very high97.6Very high21 Ų2188.9 Ų88.98%0.08244%0.436CS..Hα-helixtrans-63.5-44176.8173-106.5000112.7K37 V38 A43 L44 R49 I52 Y55 E56K37-Y41 WeakPolarHBondContact O-CB 3.25Å; K37-Y41 PolarHBondContact O-N 2.8Å; V38-Y41 PolarHBondContact O-N 2.92Å; Y41-A43 VanDerWaalsContact C-N 3.28Å; Y41-A43 PolarHBondContact O-N 3.04Å; Y41-L44 HydrophobicContact CD2-CD1 4.05Å; Y41-L44 VanDerWaalsContact O-CB 3.28Å; Y41-L44 WeakPolarHBondContact O-CB 3.43Å; Y41-L44 WeakPolarHBondContact O-CG 3.35Å; Y41-L44 PolarHBondContact O-N 2.78Å; Y41-R49 HydrophobicContact CD2-CG 4.39Å; Y41-R49 HydrophobicContact CE2-CB 4.26Å; Y41-R49 HydrophobicContact CE2-CG 3.9Å; Y41-I52 HydrophobicContact CD2-CD1 3.84Å; Y41-I52 HydrophobicContact CE2-CD1 3.82Å; Y41-I52 HydrophobicContact CE2-CG1 4.12Å; Y41-Y55 AromaticContact CD2-CD1 3.49Å; Y41-Y55 HydrophobicContact CD2-CD1 3.49Å; Y41-Y55 VanDerWaalsContact CD2-CD1 3.49Å; Y41-Y55 HydrophobicContact CD2-CE1 4.21Å; Y41-Y55 HydrophobicContact CD2-CG 4.37Å; Y41-Y55 HydrophobicContact CE2-CD1 4.14Å; Y41-Y55 AromaticContact CG-CD1 3.94Å; Y41-Y55 HydrophobicContact CG-CD1 3.94Å; Y41-Y55 HydrophobicContact CG-CE1 4.37Å; Y41-E56 HydrophobicContact CD1-CB 4.46Å; Y41-E56 HydrophobicContact CE1-CB 3.7Å; Y41-E56 HydrophobicContact CE1-CG 3.93Å; Y41-E56 WeakPolarHBondContact CE1-OE2 3.34Å; Y41-E56 PolarHBondContact OH-OE2 3.27Å
42V96.1Very high97.5Very high90 Ų9090.1 Ų90.155%0.54544%0.442SS..Hα-helixtrans-67-31.3178.2173.70000111.5V38 L44 R49V38-V42 HydrophobicContact CG1-CG2 4.22Å; V38-V42 WeakPolarHBondContact O-CG2 3.41Å; V38-V42 PolarHBondContact O-N 3.05Å; V42-L44 PolarHBondContact O-N 3.33Å; V42-R49 PolarHBondContact O-NH1 3.04Å
43A97.7Very high97.4Very high77 Ų7790.3 Ų90.364%0.63645%0.453SS*.THydrogen-bonded Turntrans-70.7-13.517600000114.2K39 W40 Y41K39-A43 WeakPolarHBondContact O-CB 3.31Å; K39-A43 PolarHBondContact O-N 3.13Å; K39-A43 VanDerWaalsContact O-N 3.08Å; W40-A43 PolarHBondContact O-N 2.99Å; Y41-A43 VanDerWaalsContact C-N 3.28Å; Y41-A43 PolarHBondContact O-N 3.04Å
44L97.9Very high97.4Very high51 Ų5195.2 Ų95.227%0.26747%0.471SS..SBendtrans-63.7152.1172.6-64.3175.8000111W40 Y41 V42 Q48 R49 I52W40-L44 PolarHBondContact O-N 3.13Å; Y41-L44 HydrophobicContact CD2-CD1 4.05Å; Y41-L44 VanDerWaalsContact O-CB 3.28Å; Y41-L44 WeakPolarHBondContact O-CB 3.43Å; Y41-L44 WeakPolarHBondContact O-CG 3.35Å; Y41-L44 PolarHBondContact O-N 2.78Å; V42-L44 PolarHBondContact O-N 3.33Å; L44-Q48 HydrophobicContact CB-CB 3.92Å; L44-Q48 HydrophobicContact CD1-CB 4.46Å; L44-Q48 HydrophobicContact CD2-CB 4.36Å; L44-Q48 HydrophobicContact CG-CB 4.48Å; L44-R49 HydrophobicContact CB-CG 3.89Å; L44-R49 HydrophobicContact CD1-CG 4.48Å; L44-R49 PolarHBondContact O-NH1 3.28Å; L44-I52 HydrophobicContact CD1-CD1 3.66Å
45S98.1Very high97.4Very high57 Ų5797.5 Ų97.540%0.39948%0.479SS..  trans-62.3156.1168.661.30000111.3R47 Q48 R49S45-R47 PolarHBondContact O-N 3.46Å; S45-Q48 PolarHBondContact O-N 3.01Å; S45-Q48 WeakPolarHBondContact OG-CB 3.32Å; S45-Q48 VanDerWaalsContact OG-CG 3.32Å; S45-Q48 WeakPolarHBondContact OG-CG 3.33Å; S45-Q48 PolarHBondContact OG-N 3.19Å; S45-Q48 PolarHBondContact OG-OE1 3.5Å; S45-R49 PolarHBondContact O-N 3.12Å
46E97Very high97.3Very high158 Ų15894.2 Ų94.274%0.73847%0.466SS*.Hα-helixtrans-55-40.9175.4-173.3176.9-175.700111.9Q48 R49 S50E46-Q48 PolarHBondContact O-N 3.24Å; E46-R49 PolarHBondContact O-N 3.12Å; E46-S50 PolarHBondContact O-N 3.36Å
47R98.3Very high97.3Very high189 Ų18995.8 Ų95.871%0.71347%0.473SS*.Hα-helixtrans-56.9-49.7172.5-179.3178.7173.8-112.4-1.6111.7S45 R49 S50 L51S45-R47 PolarHBondContact O-N 3.46Å; R47-R49 PolarHBondContact O-N 3.18Å; R47-S50 PolarHBondContact O-N 3.24Å; R47-S50 PolarHBondContact O-OG 3.27Å; R47-L51 PolarHBondContact O-N 3.08Å
48Q98.3Very high97.3Very high90 Ų9094.1 Ų94.142%0.42147%0.466SS..Hα-helixtrans-62.6-42.9179.5-79165.7-43.700112.1L44 S45 E46 S50 L51L44-Q48 HydrophobicContact CB-CB 3.92Å; L44-Q48 HydrophobicContact CD1-CB 4.46Å; L44-Q48 HydrophobicContact CD2-CB 4.36Å; L44-Q48 HydrophobicContact CG-CB 4.48Å; S45-Q48 PolarHBondContact O-N 3.01Å; S45-Q48 WeakPolarHBondContact OG-CB 3.32Å; S45-Q48 VanDerWaalsContact OG-CG 3.32Å; S45-Q48 WeakPolarHBondContact OG-CG 3.33Å; S45-Q48 PolarHBondContact OG-N 3.19Å; S45-Q48 PolarHBondContact OG-OE1 3.5Å; E46-Q48 PolarHBondContact O-N 3.24Å; Q48-S50 VanDerWaalsContact C-N 3.28Å; Q48-S50 PolarHBondContact O-N 3.25Å; Q48-L51 WeakPolarHBondContact O-CB 3.39Å; Q48-L51 PolarHBondContact O-N 3.21Å; Q48-L51 VanDerWaalsContact O-N 3.08Å
49R97.7Very high97.3Very high75 Ų7591.3 Ų91.328%0.28345%0.449SS..Hα-helixtrans-60.3-38.6176-67.8-169.3-63.5-98.3-3.1112.1Y41 V42 L44 S45 E46 R47 L51 I52Y41-R49 HydrophobicContact CD2-CG 4.39Å; Y41-R49 HydrophobicContact CE2-CB 4.26Å; Y41-R49 HydrophobicContact CE2-CG 3.9Å; V42-R49 PolarHBondContact O-NH1 3.04Å; L44-R49 HydrophobicContact CB-CG 3.89Å; L44-R49 HydrophobicContact CD1-CG 4.48Å; L44-R49 PolarHBondContact O-NH1 3.28Å; S45-R49 PolarHBondContact O-N 3.12Å; E46-R49 PolarHBondContact O-N 3.12Å; R47-R49 PolarHBondContact O-N 3.18Å; R49-L51 PolarHBondContact O-N 3.13Å; R49-I52 CarbonylContact O-C 3.52Å; R49-I52 PolarHBondContact O-N 2.98Å; R49-I52 VanDerWaalsContact O-N 3.1Å
50S97.1Very high97.3Very high83 Ų8391.7 Ų91.758%0.5845%0.447SS*.Hα-helixtrans-62.3-22.5176.479.10000114E46 R47 Q48E46-S50 PolarHBondContact O-N 3.36Å; R47-S50 PolarHBondContact O-N 3.24Å; R47-S50 PolarHBondContact O-OG 3.27Å; Q48-S50 VanDerWaalsContact C-N 3.28Å; Q48-S50 PolarHBondContact O-N 3.25Å
51L97.9Very high97.4Very high118 Ų11885.3 Ų85.362%0.61843%0.429SS*.Hα-helixtrans-81.8-17.1177.3-62.6173.7000113.3R47 Q48 R49R47-L51 PolarHBondContact O-N 3.08Å; Q48-L51 WeakPolarHBondContact O-CB 3.39Å; Q48-L51 PolarHBondContact O-N 3.21Å; Q48-L51 VanDerWaalsContact O-N 3.08Å; R49-L51 PolarHBondContact O-N 3.13Å
52I97.1Very high97.5Very high60 Ų6084.3 Ų84.331%0.30843%0.426SS..  trans-127.853.5-17755165.5000112Y41 L44 R49 K54 Y55Y41-I52 HydrophobicContact CD2-CD1 3.84Å; Y41-I52 HydrophobicContact CE2-CD1 3.82Å; Y41-I52 HydrophobicContact CE2-CG1 4.12Å; L44-I52 HydrophobicContact CD1-CD1 3.66Å; R49-I52 CarbonylContact O-C 3.52Å; R49-I52 PolarHBondContact O-N 2.98Å; R49-I52 VanDerWaalsContact O-N 3.1Å; I52-K54 PolarHBondContact O-N 3.43Å; I52-Y55 HydrophobicContact CD1-CD1 4.37Å; I52-Y55 HydrophobicContact CD1-CG 4.16Å; I52-Y55 WeakPolarHBondContact O-CB 3.31Å; I52-Y55 PolarHBondContact O-N 3.36Å
53P95.3Very high97.6Very high96 Ų9681.3 Ų81.362%0.62341%0.409SS*.THydrogen-bonded Turntrans-61.2-23.6-169.726.6-36.5000113.9
54K96.7Very high97.6Very high146 Ų14680.5 Ų80.564%0.63540%0.399SS*.THydrogen-bonded Turntrans-82.1-15.5179.8-59.9-176.2-173.5-176.20113.7I52 E56 E57 H58 Y214I52-K54 PolarHBondContact O-N 3.43Å; K54-E56 PolarHBondContact O-N 3.41Å; K54-E57 PolarHBondContact O-N 2.86Å; K54-H58 WeakPolarHBondContact O-CB 3.29Å; K54-H58 PolarHBondContact O-N 3.39Å; K54-Y214 HydrophobicContact CB-CD2 4.35Å; K54-Y214 HydrophobicContact CB-CE2 4.02Å
55Y97.1Very high97.7Very high55 Ų5578.5 Ų78.522%0.21639%0.388CS..Hα-helixtrans-67.2-41.8-169.4-171-102.1000112.3Y41 I52 H58 L59 Y214Y41-Y55 AromaticContact CD2-CD1 3.49Å; Y41-Y55 HydrophobicContact CD2-CD1 3.49Å; Y41-Y55 VanDerWaalsContact CD2-CD1 3.49Å; Y41-Y55 HydrophobicContact CD2-CE1 4.21Å; Y41-Y55 HydrophobicContact CD2-CG 4.37Å; Y41-Y55 HydrophobicContact CE2-CD1 4.14Å; Y41-Y55 AromaticContact CG-CD1 3.94Å; Y41-Y55 HydrophobicContact CG-CD1 3.94Å; Y41-Y55 HydrophobicContact CG-CE1 4.37Å; I52-Y55 HydrophobicContact CD1-CD1 4.37Å; I52-Y55 HydrophobicContact CD1-CG 4.16Å; I52-Y55 WeakPolarHBondContact O-CB 3.31Å; I52-Y55 PolarHBondContact O-N 3.36Å; Y55-H58 WeakPolarHBondContact O-CB 3.28Å; Y55-H58 PolarHBondContact O-N 2.67Å; Y55-L59 HydrophobicContact CD1-CD1 4.06Å; Y55-L59 HydrophobicContact CD1-CG 4.27Å; Y55-L59 HydrophobicContact CE1-CD1 3.67Å; Y55-L59 HydrophobicContact CE1-CD2 4.24Å; Y55-L59 HydrophobicContact CE1-CG 4Å; Y55-L59 WeakPolarHBondContact O-CG 3.46Å; Y55-L59 PolarHBondContact O-N 2.67Å; Y55-Y214 WeakPolarHBondContact CD2-OH 3.39Å
56E96Very high97.7Very high77 Ų7775.9 Ų75.936%0.3637%0.37SS..Hα-helixtrans-65.2-44.6178.9-170.1179.6162.900112.1Y41 K54 H58 L59 R60Y41-E56 HydrophobicContact CD1-CB 4.46Å; Y41-E56 HydrophobicContact CE1-CB 3.7Å; Y41-E56 HydrophobicContact CE1-CG 3.93Å; Y41-E56 WeakPolarHBondContact CE1-OE2 3.34Å; Y41-E56 PolarHBondContact OH-OE2 3.27Å; K54-E56 PolarHBondContact O-N 3.41Å; E56-H58 VanDerWaalsContact C-N 3.29Å; E56-H58 PolarHBondContact O-N 2.84Å; E56-L59 PolarHBondContact O-N 2.82Å; E56-R60 PolarHBondContact O-N 3.03Å; E56-R60 IonicContact OE1-CZ 3.71Å; E56-R60 IonicContact OE1-NE 3.35Å; E56-R60 IonicContact OE1-NH2 2.7Å; E56-R60 PolarHBondContact OE1-NH2 2.8Å
57E97Very high97.8Very high128 Ų12870.4 Ų70.460%0.59835%0.352SS*.Hα-helixtrans-59.6-42.6174.4-175.3179.4-172.600110.8K54 L59 R60 S61K54-E57 PolarHBondContact O-N 2.86Å; E57-L59 PolarHBondContact O-N 2.97Å; E57-R60 WeakPolarHBondContact O-CB 3.47Å; E57-R60 PolarHBondContact O-N 2.61Å; E57-R60 VanDerWaalsContact O-N 3.1Å; E57-S61 PolarHBondContact O-N 3.43Å; E57-S61 PolarHBondContact O-OG 3.06Å
58H98.2Very high97.8Very high9 Ų966.3 Ų66.34%0.04234%0.339CS..Hα-helixtrans-59.6-43.9175.7-17853.1000112.8K54 Y55 E56 R60 S61 V62 Y214 Q217K54-H58 WeakPolarHBondContact O-CB 3.29Å; K54-H58 PolarHBondContact O-N 3.39Å; Y55-H58 WeakPolarHBondContact O-CB 3.28Å; Y55-H58 PolarHBondContact O-N 2.67Å; E56-H58 VanDerWaalsContact C-N 3.29Å; E56-H58 PolarHBondContact O-N 2.84Å; H58-R60 PolarHBondContact O-N 3.34Å; H58-S61 WeakPolarHBondContact O-CB 3.45Å; H58-S61 PolarHBondContact O-N 3.32Å; H58-S61 VanDerWaalsContact O-N 3.11Å; H58-V62 WeakPolarHBondContact O-CG2 3.37Å; H58-V62 PolarHBondContact O-N 2.89Å; H58-Y214 HydrophobicContact CB-CD1 4.49Å; H58-Y214 HydrophobicContact CB-CD2 3.73Å; H58-Y214 HydrophobicContact CB-CE2 4.02Å; H58-Y214 HydrophobicContact CB-CG 4.02Å; H58-Y214 AromaticContact CD2-CD1 3.39Å; H58-Y214 WeakPolarHBondContact CD2-CD1 3.4Å; H58-Y214 AromaticContact CD2-CE1 3.68Å; H58-Y214 AromaticContact CD2-CG 3.71Å; H58-Y214 AromaticContact CE1-CD1 3.79Å; H58-Y214 AromaticContact CE1-CG 3.8Å; H58-Y214 AromaticContact CG-CD1 3.72Å; H58-Y214 AromaticContact CG-CD2 3.76Å; H58-Y214 AromaticContact CG-CG 3.5Å; H58-Y214 WeakPolarHBondContact ND1-CB 3.39Å; H58-Y214 AromaticContact ND1-CD1 4Å; H58-Y214 AromaticContact ND1-CG 3.61Å; H58-Y214 AromaticContact NE2-CD1 3.43Å; H58-Y214 WeakPolarHBondContact NE2-CD1 3.18Å; H58-Y214 AromaticContact NE2-CG 3.87Å; H58-Q217 PolarHBondContact CE1-OE1 3.27Å; H58-Q217 PolarHBondContact NE2-OE1 3.3Å
59L98.3Very high97.8Very high3 Ų362 Ų622%0.01632%0.319CS..Hα-helixtrans-60.4-35.1175.4-67.6-177.6000112.3K37 V38 Y55 E56 E57 S63 W208K37-L59 HydrophobicContact CB-CD1 4.22Å; K37-L59 HydrophobicContact CB-CD2 3.98Å; K37-L59 HydrophobicContact CD-CD2 4.3Å; V38-L59 HydrophobicContact CG2-CD1 3.76Å; Y55-L59 HydrophobicContact CD1-CD1 4.06Å; Y55-L59 HydrophobicContact CD1-CG 4.27Å; Y55-L59 HydrophobicContact CE1-CD1 3.67Å; Y55-L59 HydrophobicContact CE1-CD2 4.24Å; Y55-L59 HydrophobicContact CE1-CG 4Å; Y55-L59 WeakPolarHBondContact O-CG 3.46Å; Y55-L59 PolarHBondContact O-N 2.67Å; E56-L59 PolarHBondContact O-N 2.82Å; E57-L59 PolarHBondContact O-N 2.97Å; L59-S63 PolarHBondContact O-N 3.21Å; L59-S63 PolarHBondContact O-OG 3.25Å; L59-W208 HydrophobicContact CD2-CH2 3.91Å; L59-W208 HydrophobicContact CD2-CZ3 3.98Å
60R98.2Very high97.9Very high160 Ų16059.9 Ų59.960%0.60431%0.312SS*.Hα-helixtrans-69-41.1173.9-62.9176.7-168.1170.92.3111.5E56 E57 H58 S63 S64E56-R60 PolarHBondContact O-N 3.03Å; E56-R60 IonicContact OE1-CZ 3.71Å; E56-R60 IonicContact OE1-NE 3.35Å; E56-R60 IonicContact OE1-NH2 2.7Å; E56-R60 PolarHBondContact OE1-NH2 2.8Å; E57-R60 WeakPolarHBondContact O-CB 3.47Å; E57-R60 PolarHBondContact O-N 2.61Å; E57-R60 VanDerWaalsContact O-N 3.1Å; H58-R60 PolarHBondContact O-N 3.34Å; R60-S63 WeakPolarHBondContact O-CB 3.31Å; R60-S63 PolarHBondContact O-N 3.45Å; R60-S64 PolarHBondContact O-N 3.01Å
61S98.6Very high97.9Very high48 Ų4861.9 Ų61.934%0.33631%0.312SS..Hα-helixtrans-59.8-46.6174.3-64.50000111.7E57 H58 S63 S64 C65E57-S61 PolarHBondContact O-N 3.43Å; E57-S61 PolarHBondContact O-OG 3.06Å; H58-S61 WeakPolarHBondContact O-CB 3.45Å; H58-S61 PolarHBondContact O-N 3.32Å; H58-S61 VanDerWaalsContact O-N 3.11Å; S61-S63 VanDerWaalsContact C-N 3.32Å; S61-S63 PolarHBondContact O-N 2.98Å; S61-S64 WeakPolarHBondContact O-CB 3.39Å; S61-S64 PolarHBondContact O-N 2.85Å; S61-C65 PolarHBondContact O-N 2.87Å; S61-C65 PolarHBondContact O-SG 2.88Å
62V98.6Very high97.9Very high1 Ų156.6 Ų56.61%0.00628%0.284CS..Hα-helixtrans-60.3-42.6174.8176.30000111I34 H58 S64 C65 I66 I205 W208 V218I34-V62 HydrophobicContact CD1-CB 4.22Å; I34-V62 HydrophobicContact CD1-CG1 3.63Å; H58-V62 WeakPolarHBondContact O-CG2 3.37Å; H58-V62 PolarHBondContact O-N 2.89Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 2.86Å; V62-C65 WeakPolarHBondContact O-CB 3.44Å; V62-C65 PolarHBondContact O-N 3.17Å; V62-C65 VanDerWaalsContact O-N 3.11Å; V62-I66 HydrophobicContact CG1-CD1 4.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.22Å; V62-I66 PolarHBondContact O-N 3.49Å; V62-I205 HydrophobicContact CG1-CB 4.22Å; V62-W208 HydrophobicContact CB-CH2 4.37Å; V62-W208 HydrophobicContact CG1-CH2 3.94Å; V62-W208 HydrophobicContact CG1-CZ2 4.07Å; V62-W208 HydrophobicContact CG2-CH2 4.2Å; V62-V218 HydrophobicContact CG2-CG1 3.81Å
63S98.6Very high98Very high26 Ų2653.7 Ų53.718%0.18227%0.27CS..Hα-helixtrans-59.7-41.7176.4-55.10000112.5I34 L59 R60 S61 C65 I66 A67I34-S63 WeakPolarHBondContact CG2-OG 3.26Å; L59-S63 PolarHBondContact O-N 3.21Å; L59-S63 PolarHBondContact O-OG 3.25Å; R60-S63 WeakPolarHBondContact O-CB 3.31Å; R60-S63 PolarHBondContact O-N 3.45Å; S61-S63 VanDerWaalsContact C-N 3.32Å; S61-S63 PolarHBondContact O-N 2.98Å; S63-C65 VanDerWaalsContact C-N 3.33Å; S63-I66 WeakPolarHBondContact O-CB 3.44Å; S63-I66 PolarHBondContact O-N 3.38Å; S63-A67 PolarHBondContact O-N 2.87Å
64S98.6Very high98Very high61 Ų6154.5 Ų54.543%0.42726%0.26SS..Hα-helixtrans-63-40.6174.4-176.60000111.6R60 S61 V62 A67 K68R60-S64 PolarHBondContact O-N 3.01Å; S61-S64 WeakPolarHBondContact O-CB 3.39Å; S61-S64 PolarHBondContact O-N 2.85Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 2.86Å; S64-A67 WeakPolarHBondContact O-CB 3.35Å; S64-A67 PolarHBondContact O-N 2.88Å; S64-K68 PolarHBondContact O-N 3.5Å; S64-K68 VanDerWaalsContact O-N 3.12Å
65C98.8Very high97.9Very high8 Ų848.4 Ų48.45%0.05424%0.236CC..Hα-helixtrans-66.7-36.2176.8-61.20000112.5S61 V62 S63 A67 K68 N69 H202 I205S61-C65 PolarHBondContact O-N 2.87Å; S61-C65 PolarHBondContact O-SG 2.88Å; V62-C65 WeakPolarHBondContact O-CB 3.44Å; V62-C65 PolarHBondContact O-N 3.17Å; V62-C65 VanDerWaalsContact O-N 3.11Å; S63-C65 VanDerWaalsContact C-N 3.33Å; C65-A67 VanDerWaalsContact C-N 3.31Å; C65-A67 PolarHBondContact O-N 2.9Å; C65-K68 PolarHBondContact O-N 3.37Å; C65-N69 PolarHBondContact O-N 3.24Å; C65-H202 HydrophobicContact CB-CB 3.76Å; C65-I205 HydrophobicContact CB-CD1 4.03Å; C65-I205 HydrophobicContact CB-CG2 3.69Å
66I98.8Very high97.9Very high2 Ų245.8 Ų45.81%0.0123%0.226CC..Hα-helixtrans-57.9-45171.9-70167000110.2Y26 Y27 M31 I34 V62 S63 K68 N69 F70 I205Y26-I66 HydrophobicContact CE1-CG2 4.1Å; Y27-I66 HydrophobicContact CD2-CG2 3.76Å; Y27-I66 HydrophobicContact CE2-CG2 4.14Å; M31-I66 HydrophobicContact CG-CG2 4.44Å; M31-I66 HydrophobicContact SD-CD1 4.16Å; M31-I66 HydrophobicContact SD-CG2 4.43Å; I34-I66 HydrophobicContact CD1-CD1 4.02Å; I34-I66 HydrophobicContact CG1-CD1 3.53Å; V62-I66 HydrophobicContact CG1-CD1 4.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.22Å; V62-I66 PolarHBondContact O-N 3.49Å; S63-I66 WeakPolarHBondContact O-CB 3.44Å; S63-I66 PolarHBondContact O-N 3.38Å; I66-K68 PolarHBondContact O-N 3.48Å; I66-N69 PolarHBondContact O-N 3.2Å; I66-F70 WeakPolarHBondContact O-CB 3.42Å; I66-F70 PolarHBondContact O-N 2.9Å; I66-I205 HydrophobicContact CB-CD1 4.45Å; I66-I205 HydrophobicContact CG1-CD1 3.71Å
67A98.6Very high97.8Very high43 Ų4343.1 Ų43.136%0.35521%0.214SC..Hα-helixtrans-62.7-41.9178.300000112.4Y27 S63 S64 C65 F70 H71Y27-A67 HydrophobicContact CE2-CB 4Å; S63-A67 PolarHBondContact O-N 2.87Å; S64-A67 WeakPolarHBondContact O-CB 3.35Å; S64-A67 PolarHBondContact O-N 2.88Å; C65-A67 VanDerWaalsContact C-N 3.31Å; C65-A67 PolarHBondContact O-N 2.9Å; A67-F70 PolarHBondContact O-N 2.9Å; A67-H71 PolarHBondContact O-N 2.84Å
68K98.6Very high97.4Very high104 Ų10442 Ų4245%0.45221%0.209SC..Hα-helixtrans-64-47.2176.5-68.8174.1-179.6-179.50112.2S64 C65 I66 F70 H71 V72 H202S64-K68 PolarHBondContact O-N 3.5Å; S64-K68 VanDerWaalsContact O-N 3.12Å; C65-K68 PolarHBondContact O-N 3.37Å; I66-K68 PolarHBondContact O-N 3.48Å; K68-F70 VanDerWaalsContact C-N 3.28Å; K68-F70 PolarHBondContact O-N 3.41Å; K68-H71 WeakPolarHBondContact O-CB 3.4Å; K68-H71 PolarHBondContact O-N 3.45Å; K68-H71 VanDerWaalsContact O-N 3.15Å; K68-V72 PolarHBondContact O-N 2.88Å; K68-H202 VanDerWaalsContact CD-NE2 3.27Å; K68-H202 WeakPolarHBondContact CD-NE2 3.33Å
69N98.7Very high96.5Very high0 Ų042.8 Ų42.80%022%0.219CC..Hα-helixtrans-59.1-42.4174.8-75.12000111.2Y26 C65 I66 H71 V72 L73 L112 I201 H202 I205Y26-N69 HydrophobicContact CE1-CB 3.87Å; Y26-N69 WeakPolarHBondContact OH-CB 3.3Å; Y26-N69 PolarHBondContact OH-ND2 3Å; C65-N69 PolarHBondContact O-N 3.24Å; I66-N69 PolarHBondContact O-N 3.2Å; N69-H71 VanDerWaalsContact C-N 3.28Å; N69-H71 PolarHBondContact O-N 3.42Å; N69-V72 PolarHBondContact O-N 3.41Å; N69-L73 WeakPolarHBondContact O-CB 3Å; N69-L73 VanDerWaalsContact O-CG 3.3Å; N69-L73 WeakPolarHBondContact O-CG 3.5Å; N69-L73 PolarHBondContact O-N 3.41Å; N69-L112 HydrophobicContact CB-CD1 4.38Å; N69-L112 WeakPolarHBondContact ND2-CD1 3.47Å; N69-I201 WeakPolarHBondContact OD1-CA 3.49Å; N69-H202 PolarHBondContact ND2-O 2.56Å; N69-H202 PolarHBondContact OD1-N 3.34Å; N69-I205 VanDerWaalsContact ND2-CD1 3.34Å; N69-I205 WeakPolarHBondContact ND2-CD1 3.48Å
70F98.5Very high96.1Very high30 Ų3042.8 Ų42.813%0.13222%0.219CC..Hα-helixtrans-63.2-35.3178.5-175.4-129.2000112.6F23 Y26 Y27 I66 A67 K68 L73 R74F23-F70 WeakPolarHBondContact O-CE2 3.43Å; Y26-F70 HydrophobicContact CD1-CB 3.86Å; Y26-F70 AromaticContact CD1-CD2 3.98Å; Y26-F70 HydrophobicContact CD1-CD2 3.98Å; Y26-F70 HydrophobicContact CD1-CG 4.32Å; Y26-F70 HydrophobicContact CE1-CB 4.16Å; Y27-F70 HydrophobicContact CD2-CB 4.19Å; Y27-F70 HydrophobicContact CD2-CD1 4.17Å; Y27-F70 HydrophobicContact CD2-CG 4.39Å; Y27-F70 HydrophobicContact CG-CD1 4.05Å; Y27-F70 HydrophobicContact CG-CE1 4.49Å; Y27-F70 HydrophobicContact CG-CG 4.37Å; I66-F70 WeakPolarHBondContact O-CB 3.42Å; I66-F70 PolarHBondContact O-N 2.9Å; A67-F70 PolarHBondContact O-N 2.9Å; K68-F70 VanDerWaalsContact C-N 3.28Å; K68-F70 PolarHBondContact O-N 3.41Å; F70-L73 PolarHBondContact O-N 2.93Å; F70-R74 HydrophobicContact CD2-CG 4.24Å; F70-R74 HydrophobicContact CE1-CG 4.23Å; F70-R74 HydrophobicContact CE2-CG 3.87Å; F70-R74 HydrophobicContact CZ-CG 3.87Å; F70-R74 WeakPolarHBondContact O-CB 3.27Å; F70-R74 WeakPolarHBondContact O-CG 3.33Å; F70-R74 PolarHBondContact O-N 3.38Å
71H98.1Very high95.3Very high124 Ų12437.3 Ų37.357%0.57421%0.205SC*.Hα-helixtrans-60.5-46.9174.2-177.749.2000111.6A67 K68 N69 R74 S75A67-H71 PolarHBondContact O-N 2.84Å; K68-H71 WeakPolarHBondContact O-CB 3.4Å; K68-H71 PolarHBondContact O-N 3.45Å; K68-H71 VanDerWaalsContact O-N 3.15Å; N69-H71 VanDerWaalsContact C-N 3.28Å; N69-H71 PolarHBondContact O-N 3.42Å; H71-R74 WeakPolarHBondContact O-CB 3.48Å; H71-R74 PolarHBondContact O-N 3.26Å; H71-S75 PolarHBondContact O-N 3.47Å; H71-S75 VanDerWaalsContact O-N 3.1Å
72V98.1Very high94.4Very high7 Ų739.9 Ų39.94%0.04222%0.215CC..Hα-helixtrans-64.8-43.9176.5178.20000111.8K68 N69 R74 S75 I76 V200 I201 F223K68-V72 PolarHBondContact O-N 2.88Å; N69-V72 PolarHBondContact O-N 3.41Å; V72-R74 PolarHBondContact O-N 2.82Å; V72-S75 PolarHBondContact O-N 2.87Å; V72-S75 VanDerWaalsContact O-N 3.07Å; V72-I76 HydrophobicContact CG1-CD1 4.16Å; V72-I76 PolarHBondContact O-N 2.99Å; V72-V200 WeakPolarHBondContact CG2-O 3.29Å; V72-I201 HydrophobicContact CB-CG2 4Å; V72-I201 HydrophobicContact CG1-CG2 3.85Å; V72-I201 HydrophobicContact CG2-CG2 3.98Å; V72-F223 HydrophobicContact CG1-CE1 3.93Å; V72-F223 HydrophobicContact CG1-CZ 3.61Å
73L98.1Very high93.7Very high0 Ų041.3 Ų41.30%022%0.222CC..Hα-helixtrans-60.6-34.1176.8-72.4173.6000112.3F23 Y26 N69 F70 I76 I77 L108 L112F23-L73 HydrophobicContact CD1-CB 3.96Å; F23-L73 HydrophobicContact CD1-CD2 3.68Å; F23-L73 HydrophobicContact CD1-CG 4.36Å; F23-L73 WeakPolarHBondContact CD1-O 3.29Å; F23-L73 HydrophobicContact CE1-CD2 3.6Å; Y26-L73 HydrophobicContact CD1-CD1 3.55Å; Y26-L73 HydrophobicContact CD2-CD1 3.67Å; Y26-L73 HydrophobicContact CE1-CD1 3.88Å; Y26-L73 HydrophobicContact CE2-CD1 3.98Å; Y26-L73 HydrophobicContact CG-CD1 3.43Å; Y26-L73 VanDerWaalsContact CG-CD1 3.43Å; N69-L73 WeakPolarHBondContact O-CB 3Å; N69-L73 VanDerWaalsContact O-CG 3.3Å; N69-L73 WeakPolarHBondContact O-CG 3.5Å; N69-L73 PolarHBondContact O-N 3.41Å; F70-L73 PolarHBondContact O-N 2.93Å; L73-I76 HydrophobicContact CD2-CD1 4.15Å; L73-I76 PolarHBondContact O-N 2.84Å; L73-I77 PolarHBondContact O-N 3.4Å; L73-L108 HydrophobicContact CD1-CD1 4.45Å; L73-L108 HydrophobicContact CD2-CD2 4.4Å; L73-L112 HydrophobicContact CD2-CD2 4.16Å; L73-L112 HydrophobicContact CG-CD2 4.43Å
74R95.7Very high92.8Very high112 Ų11241.6 Ų41.642%0.42322%0.22SC..Hα-helixtrans-67-43.9171.9-77.1-176.263.3-165.4-4.9111.9M24 F70 H71 V72 I76 I77 E78M24-R74 HydrophobicContact SD-CG 4.28Å; F70-R74 HydrophobicContact CD2-CG 4.24Å; F70-R74 HydrophobicContact CE1-CG 4.23Å; F70-R74 HydrophobicContact CE2-CG 3.87Å; F70-R74 HydrophobicContact CZ-CG 3.87Å; F70-R74 WeakPolarHBondContact O-CB 3.27Å; F70-R74 WeakPolarHBondContact O-CG 3.33Å; F70-R74 PolarHBondContact O-N 3.38Å; H71-R74 WeakPolarHBondContact O-CB 3.48Å; H71-R74 PolarHBondContact O-N 3.26Å; V72-R74 PolarHBondContact O-N 2.82Å; R74-I76 VanDerWaalsContact C-N 3.26Å; R74-I76 PolarHBondContact O-N 3.07Å; R74-I77 WeakPolarHBondContact O-CG1 3.29Å; R74-I77 PolarHBondContact O-N 2.87Å; R74-E78 WeakPolarHBondContact O-CG 3.35Å; R74-E78 PolarHBondContact O-N 3.48Å; R74-E78 VanDerWaalsContact O-N 3.1Å
75S95.6Very high91.7Very high18 Ų1848.7 Ų48.713%0.12625%0.246CC..Hα-helixtrans-63.9-31.7174.9-64.30000112.9H71 V72 I77 E78 F188H71-S75 PolarHBondContact O-N 3.47Å; H71-S75 VanDerWaalsContact O-N 3.1Å; V72-S75 PolarHBondContact O-N 2.87Å; V72-S75 VanDerWaalsContact O-N 3.07Å; S75-I77 VanDerWaalsContact C-N 3.32Å; S75-I77 PolarHBondContact O-N 3.38Å; S75-E78 WeakPolarHBondContact O-CB 3.44Å; S75-E78 PolarHBondContact O-N 2.98Å; S75-F188 VanDerWaalsContact O-CD2 3.26Å; S75-F188 WeakPolarHBondContact O-CD2 3.19Å; S75-F188 VanDerWaalsContact O-CE2 3.28Å; S75-F188 WeakPolarHBondContact O-CE2 3.16Å
76I95.8Very high90.6Very high0 Ų055.1 Ų55.10%028%0.28CS..Hα-helixtrans-60.6-41.7173.5-76.3159000111.9F23 V72 L73 R74 E78 L115 F184 F188F23-I76 HydrophobicContact CD1-CG2 4.37Å; F23-I76 HydrophobicContact CE1-CB 4.24Å; F23-I76 HydrophobicContact CE1-CG2 3.63Å; F23-I76 HydrophobicContact CZ-CG2 4.13Å; V72-I76 HydrophobicContact CG1-CD1 4.16Å; V72-I76 PolarHBondContact O-N 2.99Å; L73-I76 HydrophobicContact CD2-CD1 4.15Å; L73-I76 PolarHBondContact O-N 2.84Å; R74-I76 VanDerWaalsContact C-N 3.26Å; R74-I76 PolarHBondContact O-N 3.07Å; I76-E78 VanDerWaalsContact C-N 3.3Å; I76-L115 HydrophobicContact CD1-CD1 4.16Å; I76-F184 HydrophobicContact CG2-CB 3.92Å; I76-F188 HydrophobicContact CB-CB 4.26Å; I76-F188 HydrophobicContact CB-CG 4.22Å; I76-F188 HydrophobicContact CG1-CB 3.97Å; I76-F188 HydrophobicContact CG1-CD1 3.52Å; I76-F188 HydrophobicContact CG1-CD2 4.31Å; I76-F188 HydrophobicContact CG1-CE1 4.02Å; I76-F188 HydrophobicContact CG1-CG 3.66Å; I76-F188 HydrophobicContact CG2-CB 4.25Å
77I94.3Very high89.3Confident21 Ų2156.5 Ų56.511%0.10829%0.287CS..THydrogen-bonded Turntrans-86.4-1.2179.462.9172.4000113V20 F23 M24 L73 R74 S75 G79 V80 F184V20-I77 HydrophobicContact CG1-CD1 4.17Å; F23-I77 HydrophobicContact CB-CD1 3.97Å; F23-I77 HydrophobicContact CB-CG2 3.67Å; F23-I77 HydrophobicContact CD1-CG2 3.63Å; F23-I77 HydrophobicContact CD2-CG2 3.88Å; F23-I77 HydrophobicContact CE1-CG2 4.21Å; F23-I77 HydrophobicContact CE2-CG2 4.39Å; F23-I77 HydrophobicContact CG-CG2 3.46Å; F23-I77 VanDerWaalsContact CG-CG2 3.46Å; M24-I77 HydrophobicContact CG-CD1 3.65Å; M24-I77 HydrophobicContact SD-CD1 3.53Å; M24-I77 VanDerWaalsContact SD-CD1 3.53Å; L73-I77 PolarHBondContact O-N 3.4Å; R74-I77 WeakPolarHBondContact O-CG1 3.29Å; R74-I77 PolarHBondContact O-N 2.87Å; S75-I77 VanDerWaalsContact C-N 3.32Å; S75-I77 PolarHBondContact O-N 3.38Å; I77-G79 PolarHBondContact O-N 2.99Å; I77-V80 HydrophobicContact CB-CG1 4.4Å; I77-V80 HydrophobicContact CB-CG2 4.48Å; I77-V80 WeakPolarHBondContact O-CG2 3.42Å; I77-F184 HydrophobicContact CG2-CD2 3.94Å
78E88.7Confident88.1Confident106 Ų10660.4 Ų60.450%0.49531%0.306SS..THydrogen-bonded Turntrans-72.7113.7171.5-79.1165.1-174.100108.7R74 S75 I76R74-E78 WeakPolarHBondContact O-CG 3.35Å; R74-E78 PolarHBondContact O-N 3.48Å; R74-E78 VanDerWaalsContact O-N 3.1Å; S75-E78 WeakPolarHBondContact O-CB 3.44Å; S75-E78 PolarHBondContact O-N 2.98Å; I76-E78 VanDerWaalsContact C-N 3.3Å
79G79.9Confident87Confident25 Ų2556 Ų5626%0.25829%0.287SS..THydrogen-bonded Turntrans85.328.6179.400000114.9I77 R192I77-G79 PolarHBondContact O-N 2.99Å; G79-R192 PolarHBondContact O-NH2 2.9Å
80V88.1Confident86Confident2 Ų263 Ų631%0.01233%0.325CS..  trans-81-19.2168.1-62.40000112.1Y16 V20 I77 D82 M83 V91 F184Y16-V80 HydrophobicContact CE1-CB 4.3Å; Y16-V80 HydrophobicContact CE1-CG2 4.06Å; Y16-V80 WeakPolarHBondContact OH-CB 3.23Å; Y16-V80 PolarHBondContact OH-O 3.38Å; V20-V80 HydrophobicContact CG2-CG2 3.98Å; I77-V80 HydrophobicContact CB-CG1 4.4Å; I77-V80 HydrophobicContact CB-CG2 4.48Å; I77-V80 WeakPolarHBondContact O-CG2 3.42Å; V80-D82 PolarHBondContact O-N 3.45Å; V80-D82 VanDerWaalsContact O-N 3.12Å; V80-M83 WeakPolarHBondContact O-CB 3.29Å; V80-M83 PolarHBondContact O-N 2.76Å; V80-V91 HydrophobicContact CG2-CG2 4.25Å; V80-F184 HydrophobicContact CB-CD1 4.42Å; V80-F184 HydrophobicContact CB-CE1 4.36Å; V80-F184 HydrophobicContact CG1-CB 4.36Å; V80-F184 HydrophobicContact CG1-CD1 3.97Å; V80-F184 HydrophobicContact CG1-CD2 4.39Å; V80-F184 HydrophobicContact CG1-CE1 4.38Å; V80-F184 HydrophobicContact CG1-CG 3.99Å
81S82.9Confident85.1Confident45 Ų4563 Ų6332%0.31533%0.328SS..THydrogen-bonded Turntrans-58.3-28.3-178.4-67.60000114.7I89 V91S81-I89 WeakPolarHBondContact CA-O 3.4Å; S81-I89 VanDerWaalsContact CB-O 3.3Å; S81-I89 WeakPolarHBondContact CB-O 3.5Å; S81-I89 PolarHBondContact O-N 3.35Å; S81-I89 PolarHBondContact OG-O 3.2Å; S81-V91 WeakPolarHBondContact OG-CG2 3.43Å
82D79.3Confident84.1Confident102 Ų10258.9 Ų58.955%0.54531%0.312SS..THydrogen-bonded Turntrans-121.722.1-177.560.6-23.3000112.5V80 F84 R192V80-D82 PolarHBondContact O-N 3.45Å; V80-D82 VanDerWaalsContact O-N 3.12Å; D82-F84 VanDerWaalsContact C-N 3.33Å; D82-F84 PolarHBondContact O-N 3.28Å; D82-R192 IonicContact OD1-NH2 2.74Å
83M84.9Confident83.3Confident31 Ų3162.7 Ų62.715%0.15334%0.335CS..  trans-67.9-30.2-178.3176.4177.284.500113.4Y16 V80 L183 F184 N187Y16-M83 HydrophobicContact CE2-CE 4.28Å; V80-M83 WeakPolarHBondContact O-CB 3.29Å; V80-M83 PolarHBondContact O-N 2.76Å; M83-L183 HydrophobicContact CE-CB 4.31Å; M83-F184 HydrophobicContact CE-CD1 3.75Å; M83-F184 HydrophobicContact CE-CE1 3.89Å; M83-F184 HydrophobicContact SD-CD1 4.02Å; M83-N187 HydrophobicContact CG-CB 3.72Å; M83-N187 WeakPolarHBondContact CG-ND2 3.33Å; M83-N187 HydrophobicContact SD-CB 3.25Å; M83-N187 WeakPolarHBondContact SD-CB 3.36Å; M83-N187 VanDerWaalsContact SD-CG 3.52Å
84F79.2Confident82.4Confident32 Ų3268.9 Ų68.914%0.1436%0.362CS..BIsolated β-bridgetrans-103131.7-179.2-63.6-57.2000110.7Y16 D82 N86 M87 L180 L183 A241Y16-F84 HydrophobicContact CD2-CE2 4.15Å; Y16-F84 HydrophobicContact CE2-CD2 4.06Å; Y16-F84 AromaticContact CE2-CE2 3.51Å; Y16-F84 HydrophobicContact CE2-CE2 3.51Å; Y16-F84 HydrophobicContact CE2-CZ 4.47Å; D82-F84 VanDerWaalsContact C-N 3.33Å; D82-F84 PolarHBondContact O-N 3.28Å; F84-N86 VanDerWaalsContact C-N 3.26Å; F84-N86 PolarHBondContact O-N 2.89Å; F84-M87 HydrophobicContact CB-CB 4.15Å; F84-M87 HydrophobicContact CD2-CE 3.47Å; F84-M87 VanDerWaalsContact CD2-CE 3.47Å; F84-M87 HydrophobicContact CE2-CE 3.83Å; F84-M87 HydrophobicContact CG-CE 4.42Å; F84-M87 PolarHBondContact O-N 2.53Å; F84-L180 HydrophobicContact CE2-CD2 4.31Å; F84-L180 HydrophobicContact CZ-CD2 4.13Å; F84-L183 HydrophobicContact CZ-CD1 4.48Å; F84-A241 HydrophobicContact CE1-CB 3.46Å; F84-A241 VanDerWaalsContact CE1-CB 3.46Å; F84-A241 HydrophobicContact CZ-CB 3.61Å
85E74.8Confident81.8Confident210 Ų21071.1 Ų71.198%0.98138%0.377SS*.THydrogen-bonded Turntrans-64.5-32.5-179.5-65.3-176.7179.500112.7
86N74.9Confident81.4Confident143 Ų14379.9 Ų79.977%0.76541%0.407SS*.THydrogen-bonded Turntrans-91.8-6.4-176.962.4-50000113.6F84F84-N86 VanDerWaalsContact C-N 3.26Å; F84-N86 PolarHBondContact O-N 2.89Å
87M71.8Confident81.1Confident31 Ų3180.9 Ų80.915%0.15341%0.412CS..BIsolated β-bridgetrans-146.8122.1-172.3-171.6175.252.200112E12 F84 I89E12-M87 HydrophobicContact CG-CE 4.21Å; E12-M87 HydrophobicContact CG-SD 4.39Å; E12-M87 WeakPolarHBondContact OE1-CE 3.35Å; F84-M87 HydrophobicContact CB-CB 4.15Å; F84-M87 HydrophobicContact CD2-CE 3.47Å; F84-M87 VanDerWaalsContact CD2-CE 3.47Å; F84-M87 HydrophobicContact CE2-CE 3.83Å; F84-M87 HydrophobicContact CG-CE 4.42Å; F84-M87 PolarHBondContact O-N 2.53Å; M87-I89 HydrophobicContact CE-CD1 3.36Å; M87-I89 HydrophobicContact CE-CG1 3.99Å; M87-I89 HydrophobicContact CG-CD1 4.19Å; M87-I89 HydrophobicContact CG-CG1 3.74Å; M87-I89 HydrophobicContact SD-CD1 3.63Å; M87-I89 HydrophobicContact SD-CG1 3.82Å
88V74Confident81.1Confident125 Ų12582.4 Ų82.476%0.75842%0.424SS*.  trans-102.5118.1168.9179.80000108.1
89I76.6Confident81.3Confident11 Ų1185 Ų856%0.05644%0.436CS..  trans-105.1118178.2-60.1-177.1000109.5Y16 S81 M87 V91Y16-I89 VanDerWaalsContact CB-CD1 3.45Å; Y16-I89 HydrophobicContact CD1-CB 4Å; Y16-I89 HydrophobicContact CD1-CD1 3.45Å; Y16-I89 VanDerWaalsContact CD1-CD1 3.45Å; Y16-I89 HydrophobicContact CD1-CG1 4.3Å; Y16-I89 HydrophobicContact CD1-CG2 3.71Å; Y16-I89 HydrophobicContact CD2-CD1 3.4Å; Y16-I89 VanDerWaalsContact CD2-CD1 3.4Å; Y16-I89 HydrophobicContact CE1-CB 4.08Å; Y16-I89 HydrophobicContact CE1-CD1 3.91Å; Y16-I89 HydrophobicContact CE1-CG2 4.22Å; Y16-I89 HydrophobicContact CE2-CD1 3.88Å; Y16-I89 HydrophobicContact CG-CD1 3.14Å; Y16-I89 HydrophobicContact CG-CG1 4.39Å; Y16-I89 HydrophobicContact CG-CG2 4.34Å; S81-I89 WeakPolarHBondContact CA-O 3.4Å; S81-I89 VanDerWaalsContact CB-O 3.3Å; S81-I89 WeakPolarHBondContact CB-O 3.5Å; S81-I89 PolarHBondContact O-N 3.35Å; S81-I89 PolarHBondContact OG-O 3.2Å; M87-I89 HydrophobicContact CE-CD1 3.36Å; M87-I89 HydrophobicContact CE-CG1 3.99Å; M87-I89 HydrophobicContact CG-CD1 4.19Å; M87-I89 HydrophobicContact CG-CG1 3.74Å; M87-I89 HydrophobicContact SD-CD1 3.63Å; M87-I89 HydrophobicContact SD-CG1 3.82Å; I89-V91 HydrophobicContact CG2-CG2 4.32Å; I89-V91 PolarHBondContact O-N 3.22Å
90D76.6Confident82.1Confident147 Ų14784.2 Ų84.279%0.78643%0.426SS*.  trans-72.494.2168.4-171.120.8000109.2P92D90-P92 VanDerWaalsContact O-CD 3.31Å; D90-P92 WeakPolarHBondContact O-CD 3.32Å
91V78.8Confident82.4Confident31 Ų3187 Ų8719%0.18845%0.445CS..PPolyproline II helixtrans-71.4118.5178.5174.30000107.9Y16 V20 V80 S81 I89Y16-V91 HydrophobicContact CD1-CG2 4.39Å; Y16-V91 HydrophobicContact CE1-CG2 4.12Å; V20-V91 HydrophobicContact CB-CG1 4.3Å; V20-V91 HydrophobicContact CG1-CG1 3.73Å; V20-V91 HydrophobicContact CG2-CG1 4.21Å; V20-V91 HydrophobicContact CG2-CG2 4.22Å; V80-V91 HydrophobicContact CG2-CG2 4.25Å; S81-V91 WeakPolarHBondContact OG-CG2 3.43Å; I89-V91 HydrophobicContact CG2-CG2 4.32Å; I89-V91 PolarHBondContact O-N 3.22Å
92P78.1Confident83Confident37 Ų3788.4 Ų88.424%0.2445%0.448CS..PPolyproline II helixtrans-57.8147.5-179.2-22.932.3000111.6V17 D90 R96 L97V17-P92 HydrophobicContact CG1-CG 4.11Å; V17-P92 HydrophobicContact CG2-CG 4.23Å; D90-P92 VanDerWaalsContact O-CD 3.31Å; D90-P92 WeakPolarHBondContact O-CD 3.32Å; P92-R96 HydrophobicContact CB-CB 3.78Å; P92-L97 HydrophobicContact CB-CD2 4.29Å; P92-L97 HydrophobicContact CG-CD2 4.44Å
93V80.9Confident83.7Confident87 Ų8790 Ų9053%0.52745%0.451SS..PPolyproline II helixtrans-53.3151.5168.1-63.60000110.5E95 R96 L97V93-E95 PolarHBondContact O-N 3.24Å; V93-R96 HydrophobicContact CG2-CB 4.35Å; V93-R96 HydrophobicContact CG2-CG 3.98Å; V93-R96 PolarHBondContact O-N 3Å; V93-L97 PolarHBondContact O-N 2.97Å
94K80.4Confident84.1Confident130 Ų13089.9 Ų89.957%0.56545%0.45SS*.G310 helixtrans-46.3-39.9-172.4-178-177.8179.4-173.50113.8M24 R96 L97M24-K94 HydrophobicContact CE-CB 4.07Å; M24-K94 HydrophobicContact CE-CD 3.54Å; M24-K94 HydrophobicContact CE-CG 3.57Å; K94-R96 PolarHBondContact O-N 2.91Å; K94-L97 PolarHBondContact O-N 3.19Å
95E83.4Confident85Confident159 Ų15988.5 Ų88.574%0.74344%0.444SS*.G310 helixtrans-69-18.9-177.8-63.471.3-154.900113.8V93V93-E95 PolarHBondContact O-N 3.24Å
96R86.7Confident86Confident203 Ų20383 Ų8377%0.76642%0.421SS*.G310 helixtrans-103-2.3179.6-65.6-175.1-175.8-178.91.4113.3P92 V93 K94P92-R96 HydrophobicContact CB-CB 3.78Å; V93-R96 HydrophobicContact CG2-CB 4.35Å; V93-R96 HydrophobicContact CG2-CG 3.98Å; V93-R96 PolarHBondContact O-N 3Å; K94-R96 PolarHBondContact O-N 2.91Å
97L90Very high87Confident20 Ų2081.8 Ų81.811%0.10541%0.409CS..PPolyproline II helixtrans-67.8134.4176.9-69.1174.4000110.3V17 V20 M24 P92 V93 K94V17-L97 HydrophobicContact CG1-CD2 4.01Å; V20-L97 HydrophobicContact CG1-CD1 4.36Å; V20-L97 HydrophobicContact CG1-CD2 4.38Å; M24-L97 HydrophobicContact CB-CD1 3.91Å; M24-L97 HydrophobicContact CG-CD1 3.68Å; P92-L97 HydrophobicContact CB-CD2 4.29Å; P92-L97 HydrophobicContact CG-CD2 4.44Å; V93-L97 PolarHBondContact O-N 2.97Å; K94-L97 PolarHBondContact O-N 3.19Å
98P93.2Very high88.2Confident54 Ų5480.3 Ų80.335%0.35140%0.402SS..PPolyproline II helixtrans-68.1149.1-179.129.5-35.3000110.5V17 S21 Q25V17-P98 VanDerWaalsContact CG1-CD 3.48Å; V17-P98 HydrophobicContact CG1-CG 3.96Å; S21-P98 WeakPolarHBondContact CB-O 3.4Å; S21-P98 PolarHBondContact OG-O 3.02Å; Q25-P98 PolarHBondContact NE2-O 3.33Å
99Q94.1Very high89.4Confident160 Ų16075.1 Ų75.175%0.74837%0.371SS*.PPolyproline II helixtrans-63.8138.9166.2-67-62.1-7800109.5
100V95.4Very high90.3Very high9 Ų976.4 Ų76.46%0.05538%0.381CS..  trans-112.2149.2175.2-640000108.3Q18 I105Q18-V100 HydrophobicContact CB-CG1 4.3Å; V100-I105 HydrophobicContact CG2-CD1 3.85Å; V100-I105 HydrophobicContact CG2-CG1 3.53Å
101P95.1Very high91.3Very high61 Ų6169.5 Ų69.540%0.39634%0.343SS..  trans-60.5145.9176.6-23.935000112.7F103 Q104P101-F103 HydrophobicContact CB-CD1 3.43Å; P101-F103 VanDerWaalsContact CB-CD1 3.43Å; P101-F103 HydrophobicContact CB-CE1 3.2Å; P101-F103 HydrophobicContact CB-CG 4.32Å; P101-F103 HydrophobicContact CB-CZ 3.93Å; P101-F103 HydrophobicContact CG-CD1 4.38Å; P101-F103 HydrophobicContact CG-CE1 3.67Å; P101-F103 HydrophobicContact CG-CZ 4.05Å; P101-F103 PolarHBondContact O-N 3.04Å; P101-F103 VanDerWaalsContact O-N 3.17Å; P101-Q104 WeakPolarHBondContact O-CB 3.41Å; P101-Q104 PolarHBondContact O-N 3.32Å
102D95.2Very high92.2Very high74 Ų7468 Ų6840%0.39634%0.335SS..Hα-helixtrans-50.2-42.8178.9-76.413.5000112.1H29 K32 Q104 I105 D106H29-D102 IonicContact ND1-OD1 3.3Å; K32-D102 IonicContact NZ-OD2 3.93Å; K32-D102 PolarHBondContact NZ-OD2 3.05Å; D102-Q104 PolarHBondContact O-N 3.4Å; D102-Q104 VanDerWaalsContact O-N 3.14Å; D102-I105 PolarHBondContact O-N 3.43Å; D102-D106 PolarHBondContact O-N 2.92Å
103F93.5Very high93.2Very high136 Ų13669.5 Ų69.560%0.59634%0.335SS*.Hα-helixtrans-61.4-25.4-179.174.8-101000113.7P101P101-F103 HydrophobicContact CB-CD1 3.43Å; P101-F103 VanDerWaalsContact CB-CD1 3.43Å; P101-F103 HydrophobicContact CB-CE1 3.2Å; P101-F103 HydrophobicContact CB-CG 4.32Å; P101-F103 HydrophobicContact CB-CZ 3.93Å; P101-F103 HydrophobicContact CG-CD1 4.38Å; P101-F103 HydrophobicContact CG-CE1 3.67Å; P101-F103 HydrophobicContact CG-CZ 4.05Å; P101-F103 PolarHBondContact O-N 3.04Å; P101-F103 VanDerWaalsContact O-N 3.17Å
104Q94.6Very high94Very high28 Ų2865.8 Ų65.813%0.13131%0.312CS..Hα-helixtrans-76.4-39.2176.4-176.1171-29.500110.4T22 P101 D102 D106 K107T22-Q104 HydrophobicContact CG2-CG 4.09Å; T22-Q104 WeakPolarHBondContact CG2-O 3.42Å; T22-Q104 PolarHBondContact OG1-NE2 2.97Å; P101-Q104 WeakPolarHBondContact O-CB 3.41Å; P101-Q104 PolarHBondContact O-N 3.32Å; D102-Q104 PolarHBondContact O-N 3.4Å; D102-Q104 VanDerWaalsContact O-N 3.14Å; Q104-D106 VanDerWaalsContact C-N 3.29Å; Q104-D106 PolarHBondContact O-N 3.36Å; Q104-K107 WeakPolarHBondContact O-CB 3.34Å; Q104-K107 PolarHBondContact O-N 2.92Å
105I97Very high94.8Very high3 Ų359.6 Ų59.62%0.01529%0.285CS..Hα-helixtrans-68.1-33.5175.7-47173.8000110.6T22 Q25 H29 V100 D102 K107 L108T22-I105 HydrophobicContact CG2-CB 4.48Å; T22-I105 HydrophobicContact CG2-CG1 4.36Å; Q25-I105 HydrophobicContact CB-CD1 3.7Å; Q25-I105 HydrophobicContact CB-CG1 4.49Å; H29-I105 HydrophobicContact CB-CB 4.35Å; H29-I105 HydrophobicContact CB-CD1 3.81Å; H29-I105 HydrophobicContact CB-CG2 3.74Å; H29-I105 VanDerWaalsContact CD2-CG2 3.43Å; H29-I105 WeakPolarHBondContact CD2-CG2 3.37Å; V100-I105 HydrophobicContact CG2-CD1 3.85Å; V100-I105 HydrophobicContact CG2-CG1 3.53Å; D102-I105 PolarHBondContact O-N 3.43Å; I105-K107 PolarHBondContact O-N 3.4Å; I105-L108 HydrophobicContact CG2-CD1 4.22Å; I105-L108 WeakPolarHBondContact O-CB 3.26Å; I105-L108 PolarHBondContact O-N 3.26Å
106D96.1Very high95.6Very high94 Ų9452.4 Ų52.450%0.50325%0.252SS..THydrogen-bonded Turntrans-62-8.8174.4-70.3-32.4000114.1H29 D102 Q104 P109H29-D106 IonicContact CD2-OD1 3.64Å; H29-D106 IonicContact CE1-OD1 2.76Å; H29-D106 IonicContact NE2-OD1 2.76Å; H29-D106 PolarHBondContact NE2-OD1 3.43Å; D102-D106 PolarHBondContact O-N 2.92Å; Q104-D106 VanDerWaalsContact C-N 3.29Å; Q104-D106 PolarHBondContact O-N 3.36Å; D106-P109 WeakPolarHBondContact O-CD 3.3Å
107K96.2Very high96.1Very high118 Ų11843.1 Ų43.151%0.51322%0.217SC..THydrogen-bonded Turntrans-77.4-27.1170.6-60.3-174.9177.1-173.60113.2Q104 I105 S110 V111 L181Q104-K107 WeakPolarHBondContact O-CB 3.34Å; Q104-K107 PolarHBondContact O-N 2.92Å; I105-K107 PolarHBondContact O-N 3.4Å; K107-S110 WeakPolarHBondContact O-CA 3.3Å; K107-S110 WeakPolarHBondContact O-CB 3.36Å; K107-S110 PolarHBondContact O-N 3.2Å; K107-V111 PolarHBondContact O-N 3.29Å; K107-L181 HydrophobicContact CB-CD1 3.85Å; K107-L181 HydrophobicContact CD-CD1 4.48Å
108L97.4Very high96.5Very high0 Ų042.2 Ų42.20%021%0.212CC..Hα-helixtrans-62-35.6-177.5-73.4174.2000115.1T22 F23 Y26 L73 I105 S110 V111 L112T22-L108 HydrophobicContact CG2-CD1 4.07Å; T22-L108 HydrophobicContact CG2-CG 4.09Å; T22-L108 WeakPolarHBondContact O-CD1 3.5Å; F23-L108 HydrophobicContact CD1-CD2 4.17Å; F23-L108 HydrophobicContact CD2-CD2 4.08Å; F23-L108 HydrophobicContact CE1-CD2 4.04Å; F23-L108 HydrophobicContact CE2-CD2 3.97Å; F23-L108 HydrophobicContact CG-CD2 4.18Å; F23-L108 HydrophobicContact CZ-CD2 3.93Å; Y26-L108 HydrophobicContact CD2-CB 4.09Å; Y26-L108 HydrophobicContact CD2-CD1 3.81Å; Y26-L108 HydrophobicContact CG-CD1 4.15Å; L73-L108 HydrophobicContact CD1-CD1 4.45Å; L73-L108 HydrophobicContact CD2-CD2 4.4Å; I105-L108 HydrophobicContact CG2-CD1 4.22Å; I105-L108 WeakPolarHBondContact O-CB 3.26Å; I105-L108 PolarHBondContact O-N 3.26Å; L108-S110 PolarHBondContact O-N 2.83Å; L108-V111 HydrophobicContact CD2-CG2 4.35Å; L108-V111 WeakPolarHBondContact O-CB 3.1Å; L108-V111 PolarHBondContact O-N 2.89Å; L108-V111 VanDerWaalsContact O-N 3.08Å; L108-L112 PolarHBondContact O-N 2.74Å
109P97.6Very high96.8Very high16 Ų1639.6 Ų39.610%0.10420%0.196CC..Hα-helixtrans-52.3-34.9167.9-28.934.6000113.5D106 R113 H206D106-P109 WeakPolarHBondContact O-CD 3.3Å; P109-R113 WeakPolarHBondContact O-CG 3.1Å; P109-R113 PolarHBondContact O-N 3.23Å; P109-R113 PolarHBondContact O-NH1 2.72Å; P109-H206 HydrophobicContact CB-CB 4.2Å; P109-H206 HydrophobicContact CG-CB 4.18Å
110S96.2Very high97Very high38 Ų3832 Ų3227%0.26616%0.16SC..Hα-helixtrans-68.5-42.8175.5-1610000111.8K107 L108 L112 R113 Q114K107-S110 WeakPolarHBondContact O-CA 3.3Å; K107-S110 WeakPolarHBondContact O-CB 3.36Å; K107-S110 PolarHBondContact O-N 3.2Å; L108-S110 PolarHBondContact O-N 2.83Å; S110-L112 VanDerWaalsContact C-N 3.33Å; S110-L112 PolarHBondContact O-N 2.84Å; S110-R113 PolarHBondContact O-N 3.34Å; S110-R113 VanDerWaalsContact O-N 3.07Å; S110-Q114 WeakPolarHBondContact O-CG 3.44Å; S110-Q114 PolarHBondContact O-N 3.01Å
111V97.2Very high97.1Very high1 Ų134.4 Ų34.41%0.00618%0.181CC..Hα-helixtrans-58.4-44175.9179.40000111.5K107 L108 R113 Q114 L115 L181 M182 C185K107-V111 PolarHBondContact O-N 3.29Å; L108-V111 HydrophobicContact CD2-CG2 4.35Å; L108-V111 WeakPolarHBondContact O-CB 3.1Å; L108-V111 PolarHBondContact O-N 2.89Å; L108-V111 VanDerWaalsContact O-N 3.08Å; V111-R113 VanDerWaalsContact C-N 3.28Å; V111-R113 PolarHBondContact O-N 2.7Å; V111-Q114 PolarHBondContact O-N 2.89Å; V111-L115 PolarHBondContact O-N 2.96Å; V111-L181 HydrophobicContact CG2-CB 3.84Å; V111-L181 HydrophobicContact CG2-CD1 4.38Å; V111-M182 HydrophobicContact CG2-CE 4.07Å; V111-M182 HydrophobicContact CG2-SD 4.1Å; V111-C185 HydrophobicContact CG1-CB 4.33Å; V111-C185 WeakPolarHBondContact CG1-SG 3.44Å
112L98.5Very high97.2Very high0 Ų035.8 Ų35.80%018%0.182CC..Hα-helixtrans-60.9-36.2175.5-69.1173.2000112.6Y26 N69 L73 L108 S110 L115 I201 P203Y26-L112 HydrophobicContact CE2-CD1 4.32Å; N69-L112 HydrophobicContact CB-CD1 4.38Å; N69-L112 WeakPolarHBondContact ND2-CD1 3.47Å; L73-L112 HydrophobicContact CD2-CD2 4.16Å; L73-L112 HydrophobicContact CG-CD2 4.43Å; L108-L112 PolarHBondContact O-N 2.74Å; S110-L112 VanDerWaalsContact C-N 3.33Å; S110-L112 PolarHBondContact O-N 2.84Å; L112-L115 HydrophobicContact CD2-CD1 4.45Å; L112-I201 HydrophobicContact CD2-CG2 4.23Å; L112-P203 HydrophobicContact CB-CB 4.41Å
113R98.2Very high97.3Very high69 Ų6932.3 Ų32.326%0.2616%0.164SC..Hα-helixtrans-75.3-33.5175.4-62.5-176-68.2-91.86.3112.5P109 S110 V111 L115 V116 R117 W204 T336P109-R113 WeakPolarHBondContact O-CG 3.1Å; P109-R113 PolarHBondContact O-N 3.23Å; P109-R113 PolarHBondContact O-NH1 2.72Å; S110-R113 PolarHBondContact O-N 3.34Å; S110-R113 VanDerWaalsContact O-N 3.07Å; V111-R113 VanDerWaalsContact C-N 3.28Å; V111-R113 PolarHBondContact O-N 2.7Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-V116 WeakPolarHBondContact O-CB 3.49Å; R113-V116 PolarHBondContact O-N 2.96Å; R113-V116 VanDerWaalsContact O-N 3.12Å; R113-R117 PolarHBondContact O-N 2.84Å; R113-R117 VanDerWaalsContact O-N 3.07Å; R113-W204 HydrophobicContact CB-CZ3 4.29Å; R113-W204 VanDerWaalsContact CD-CZ3 3.44Å; R113-W204 HydrophobicContact CG-CE3 4.02Å; R113-W204 HydrophobicContact CG-CH2 4.2Å; R113-W204 HydrophobicContact CG-CZ3 3.5Å; R113-T336 HydrophobicContact CB-CG2 4.1Å
114Q98Very high97.5Very high9 Ų929.3 Ų29.34%0.04215%0.152CC..Hα-helixtrans-65.4-35.7174.3-71-82.17900111.6S110 V111 V116 R117 D118 L159 M182 Y335 T336S110-Q114 WeakPolarHBondContact O-CG 3.44Å; S110-Q114 PolarHBondContact O-N 3.01Å; V111-Q114 PolarHBondContact O-N 2.89Å; Q114-V116 VanDerWaalsContact C-N 3.25Å; Q114-V116 PolarHBondContact O-N 2.83Å; Q114-R117 PolarHBondContact O-N 3.25Å; Q114-D118 PolarHBondContact O-N 3.19Å; Q114-L159 HydrophobicContact CB-CD1 3.75Å; Q114-L159 HydrophobicContact CB-CD2 4.33Å; Q114-M182 HydrophobicContact CB-CE 4.48Å; Q114-M182 HydrophobicContact CB-SD 4.21Å; Q114-M182 HydrophobicContact CG-CE 3.82Å; Q114-M182 HydrophobicContact CG-SD 4.13Å; Q114-Y335 PolarHBondContact NE2-OH 3.46Å; Q114-T336 HydrophobicContact CG-CG2 4.05Å
115L98.4Very high97.6Very high0 Ų031.8 Ų31.80%017%0.172CC..Hα-helixtrans-55.4-41.2169.2-83165.7000111.9I76 V111 L112 R113 W119 A120 L159 V189 I201 F223I76-L115 HydrophobicContact CD1-CD1 4.16Å; V111-L115 PolarHBondContact O-N 2.96Å; L112-L115 HydrophobicContact CD2-CD1 4.45Å; R113-L115 VanDerWaalsContact C-N 3.32Å; L115-W119 CarbonylContact O-C 3.53Å; L115-W119 WeakPolarHBondContact O-CA 3.3Å; L115-W119 WeakPolarHBondContact O-CB 3.43Å; L115-W119 PolarHBondContact O-N 3.32Å; L115-A120 PolarHBondContact O-N 2.86Å; L115-L159 HydrophobicContact CB-CD2 4.21Å; L115-L159 HydrophobicContact CD2-CD2 3.61Å; L115-L159 HydrophobicContact CG-CD2 3.67Å; L115-V189 HydrophobicContact CD2-CG2 3.89Å; L115-I201 HydrophobicContact CB-CD1 3.96Å; L115-I201 HydrophobicContact CD1-CD1 4.26Å; L115-F223 HydrophobicContact CD1-CE1 4.37Å; L115-F223 HydrophobicContact CD1-CZ 4.12Å; L115-F223 HydrophobicContact CD2-CD2 3.89Å; L115-F223 HydrophobicContact CD2-CE2 3.67Å; L115-F223 HydrophobicContact CD2-CZ 4.09Å
116V98.5Very high97.6Very high7 Ų732.4 Ų32.44%0.04218%0.175CC..Hα-helixtrans-64-51.5176.1-1770000110.9R113 Q114 D118 A120 E122 G123 I201 P203 W204 V221R113-V116 WeakPolarHBondContact O-CB 3.49Å; R113-V116 PolarHBondContact O-N 2.96Å; R113-V116 VanDerWaalsContact O-N 3.12Å; Q114-V116 VanDerWaalsContact C-N 3.25Å; Q114-V116 PolarHBondContact O-N 2.83Å; V116-D118 PolarHBondContact O-N 3.3Å; V116-A120 HydrophobicContact CB-CB 4.36Å; V116-A120 HydrophobicContact CG1-CB 4.04Å; V116-A120 WeakPolarHBondContact O-CB 3.19Å; V116-A120 PolarHBondContact O-N 3.44Å; V116-E122 HydrophobicContact CG1-CB 3.86Å; V116-G123 WeakPolarHBondContact O-CA 3.35Å; V116-G123 PolarHBondContact O-N 3.46Å; V116-I201 HydrophobicContact CG2-CD1 4.29Å; V116-P203 HydrophobicContact CG2-CB 3.73Å; V116-P203 HydrophobicContact CG2-CG 3.59Å; V116-W204 HydrophobicContact CG1-CZ2 4.4Å; V116-W204 HydrophobicContact CG2-CZ2 4.5Å; V116-V221 HydrophobicContact CG1-CG1 4.3Å; V116-V221 HydrophobicContact CG2-CB 4.41Å; V116-V221 HydrophobicContact CG2-CG1 4.08Å; V116-V221 HydrophobicContact CG2-CG2 4.4Å
117R98Very high97.7Very high8 Ų828.2 Ų28.23%0.0315%0.152CC..Hα-helixtrans-57-48.6-177.8177.5174.8173.9-124.8-2.4111.9R113 Q114 E126 R127 Y335 T336R113-R117 PolarHBondContact O-N 2.84Å; R113-R117 VanDerWaalsContact O-N 3.07Å; Q114-R117 PolarHBondContact O-N 3.25Å; R117-E126 VanDerWaalsContact CD-OE2 3.29Å; R117-E126 WeakPolarHBondContact CD-OE2 3.45Å; R117-E126 HydrophobicContact CG-CB 4.36Å; R117-E126 VanDerWaalsContact CG-OE2 3.27Å; R117-E126 WeakPolarHBondContact CG-OE2 3.49Å; R117-E126 IonicContact NE-OE2 3.41Å; R117-R127 WeakPolarHBondContact O-CD 3.25Å; R117-R127 VanDerWaalsContact O-CG 3.29Å; R117-R127 WeakPolarHBondContact O-CG 3.38Å; R117-R127 PolarHBondContact O-NH1 2.99Å; R117-Y335 PolarHBondContact NH1-OH 3Å; R117-T336 HydrophobicContact CB-CG2 4.37Å
118D98.3Very high97.7Very high1 Ų125.7 Ų25.71%0.00515%0.145CC..Hα-helixtrans-86.3-33.3-172.8-88.53.4000113.6Q114 V116 R127 Y131 L159 R161Q114-D118 PolarHBondContact O-N 3.19Å; V116-D118 PolarHBondContact O-N 3.3Å; D118-R127 PolarHBondContact O-NH1 3.26Å; D118-Y131 WeakPolarHBondContact OD1-CE2 3.49Å; D118-Y131 PolarHBondContact OD1-OH 3.43Å; D118-L159 HydrophobicContact CB-CB 4.08Å; D118-L159 WeakPolarHBondContact OD2-CB 3.27Å; D118-L159 PolarHBondContact OD2-N 3.36Å; D118-L159 VanDerWaalsContact OD2-N 3.11Å; D118-R161 HydrophobicContact CB-CB 3.67Å; D118-R161 HydrophobicContact CB-CG 4.5Å; D118-R161 WeakPolarHBondContact O-CB 3.43Å; D118-R161 VanDerWaalsContact O-CD 3.27Å; D118-R161 WeakPolarHBondContact O-CD 3.34Å; D118-R161 WeakPolarHBondContact O-CG 3.38Å; D118-R161 PolarHBondContact O-NH1 2.69Å
119W98.5Very high97.6Very high0 Ų026.6 Ų26.60%015%0.153CC..Hα-helixtrans-133.56.1-165.5-64106.8000114.9L115 L159 R161 W164 V189 L190 F223 P224 D225 V226 P228L115-W119 CarbonylContact O-C 3.53Å; L115-W119 WeakPolarHBondContact O-CA 3.3Å; L115-W119 WeakPolarHBondContact O-CB 3.43Å; L115-W119 PolarHBondContact O-N 3.32Å; W119-L159 PolarHBondContact NE1-O 2.95Å; W119-R161 HydrophobicContact CZ2-CB 4.29Å; W119-W164 HydrophobicContact CH2-CB 3.98Å; W119-W164 HydrophobicContact CH2-CD2 4.08Å; W119-W164 AromaticContact CH2-CG 3.77Å; W119-W164 HydrophobicContact CH2-CG 3.77Å; W119-W164 HydrophobicContact CZ2-CB 4.47Å; W119-W164 HydrophobicContact CZ3-CD2 4.39Å; W119-V189 HydrophobicContact CB-CG1 4.48Å; W119-V189 HydrophobicContact CD2-CB 4.43Å; W119-V189 HydrophobicContact CD2-CG1 3.36Å; W119-V189 VanDerWaalsContact CE2-CG1 3.43Å; W119-V189 HydrophobicContact CE3-CG1 3.7Å; W119-V189 HydrophobicContact CG-CG1 3.72Å; W119-V189 HydrophobicContact CG-CG2 4.38Å; W119-V189 HydrophobicContact CH2-CG1 4.13Å; W119-V189 HydrophobicContact CZ2-CG1 3.84Å; W119-V189 HydrophobicContact CZ3-CG1 4.07Å; W119-L190 HydrophobicContact CH2-CD2 3.69Å; W119-L190 HydrophobicContact CZ2-CD2 3.59Å; W119-L190 HydrophobicContact CZ2-CG 4.32Å; W119-F223 HydrophobicContact CB-CB 4.34Å; W119-F223 WeakPolarHBondContact O-CB 3.43Å; W119-P224 HydrophobicContact CB-CB 4.27Å; W119-P224 HydrophobicContact CE3-CB 3.94Å; W119-P224 CarbonylContact O-C 3.48Å; W119-P224 VanDerWaalsContact O-C 3.31Å; W119-P224 WeakPolarHBondContact O-CA 3.5Å; W119-D225 PolarHBondContact O-N 2.98Å; W119-V226 HydrophobicContact CE3-CG1 4.39Å; W119-V226 HydrophobicContact CZ3-CG1 4.07Å; W119-P228 HydrophobicContact CE3-CG 4.32Å; W119-P228 HydrophobicContact CH2-CB 4.17Å; W119-P228 HydrophobicContact CH2-CG 4.33Å; W119-P228 HydrophobicContact CZ3-CB 4.1Å; W119-P228 HydrophobicContact CZ3-CG 3.84Å
120A98.4Very high97.6Very high0 Ų025.8 Ų25.80%015%0.148CC..SBendtrans-110.1159.4170.500000112.1L115 V116 E122 G123 R127 V221 T222L115-A120 PolarHBondContact O-N 2.86Å; V116-A120 HydrophobicContact CB-CB 4.36Å; V116-A120 HydrophobicContact CG1-CB 4.04Å; V116-A120 WeakPolarHBondContact O-CB 3.19Å; V116-A120 PolarHBondContact O-N 3.44Å; A120-E122 PolarHBondContact O-N 2.87Å; A120-G123 PolarHBondContact O-N 2.72Å; A120-G123 VanDerWaalsContact O-N 3.13Å; A120-R127 PolarHBondContact O-NH1 3.28Å; A120-R127 PolarHBondContact O-NH2 2.95Å; A120-V221 HydrophobicContact CB-CG1 3.3Å; A120-T222 WeakPolarHBondContact CB-O 3.33Å
121A98Very high97.7Very high60 Ų6024.6 Ų24.650%0.49614%0.138SC..G310 helixtrans-63.1-34.6176.400000111.4G123 Q124 D225A121-G123 PolarHBondContact O-N 3.29Å; A121-Q124 WeakPolarHBondContact O-CB 3.47Å; A121-Q124 PolarHBondContact O-N 3.38Å; A121-D225 HydrophobicContact CB-CB 4.4Å
122E97.3Very high97.8Very high89 Ų8929.4 Ų29.442%0.41616%0.159SC..G310 helixtrans-64-23176.8-64.786.9159.100112.5V116 A120 Q124 V221V116-E122 HydrophobicContact CG1-CB 3.86Å; A120-E122 PolarHBondContact O-N 2.87Å; E122-Q124 VanDerWaalsContact C-N 3.33Å; E122-V221 HydrophobicContact CG-CG2 4.44Å; E122-V221 WeakPolarHBondContact OE2-CG1 3.45Å
123G97.6Very high97.8Very high2 Ų231.1 Ų31.12%0.02117%0.17CC..G310 helixtrans-79.9-9.3173.400000114.6V116 A120 A121 S125 E126 R127V116-G123 WeakPolarHBondContact O-CA 3.35Å; V116-G123 PolarHBondContact O-N 3.46Å; A120-G123 PolarHBondContact O-N 2.72Å; A120-G123 VanDerWaalsContact O-N 3.13Å; A121-G123 PolarHBondContact O-N 3.29Å; G123-S125 VanDerWaalsContact C-N 3.32Å; G123-S125 PolarHBondContact O-N 3.03Å; G123-E126 PolarHBondContact O-N 3.34Å; G123-E126 VanDerWaalsContact O-N 3.07Å; G123-R127 PolarHBondContact O-N 3.13Å; G123-R127 VanDerWaalsContact O-N 3.12Å
124Q97.6Very high97.8Very high73 Ų7327.9 Ų27.934%0.34116%0.158SC..Hα-helixtrans-57.1-40.8-171.8-177.362.447.700113A121 E122 E126 R127 D128A121-Q124 WeakPolarHBondContact O-CB 3.47Å; A121-Q124 PolarHBondContact O-N 3.38Å; E122-Q124 VanDerWaalsContact C-N 3.33Å; Q124-E126 VanDerWaalsContact C-N 3.32Å; Q124-E126 PolarHBondContact O-N 3.09Å; Q124-R127 PolarHBondContact O-N 2.86Å; Q124-D128 VanDerWaalsContact NE2-CG 3.27Å; Q124-D128 PolarHBondContact NE2-OD1 3.07Å; Q124-D128 PolarHBondContact NE2-OD2 3.44Å; Q124-D128 WeakPolarHBondContact O-CB 3.26Å; Q124-D128 PolarHBondContact O-N 3.19Å
125S96.3Very high97.8Very high80 Ų8027.8 Ų27.856%0.55916%0.157SC*.Hα-helixtrans-64.9-34.9179.856.20000112.9G123 G129G123-S125 VanDerWaalsContact C-N 3.32Å; G123-S125 PolarHBondContact O-N 3.03Å; S125-G129 PolarHBondContact O-N 2.93Å
126E97.2Very high97.8Very high15 Ų1533.1 Ų33.17%0.0718%0.184CC..Hα-helixtrans-70.9-40.1176.3-64.6-170.5168.900110.9R117 G123 Q124 G129 S130 Y335 T336 Q337R117-E126 VanDerWaalsContact CD-OE2 3.29Å; R117-E126 WeakPolarHBondContact CD-OE2 3.45Å; R117-E126 HydrophobicContact CG-CB 4.36Å; R117-E126 VanDerWaalsContact CG-OE2 3.27Å; R117-E126 WeakPolarHBondContact CG-OE2 3.49Å; R117-E126 IonicContact NE-OE2 3.41Å; G123-E126 PolarHBondContact O-N 3.34Å; G123-E126 VanDerWaalsContact O-N 3.07Å; Q124-E126 VanDerWaalsContact C-N 3.32Å; Q124-E126 PolarHBondContact O-N 3.09Å; E126-G129 PolarHBondContact O-N 3.46Å; E126-S130 WeakPolarHBondContact O-CB 3.42Å; E126-S130 PolarHBondContact O-N 2.89Å; E126-S130 PolarHBondContact O-OG 3.26Å; E126-Y335 VanDerWaalsContact OE1-C 3.31Å; E126-Y335 WeakPolarHBondContact OE1-CA 3.44Å; E126-Y335 PolarHBondContact OE1-N 2.88Å; E126-T336 VanDerWaalsContact CD-N 3.3Å; E126-T336 PolarHBondContact OE1-N 3.16Å; E126-T336 PolarHBondContact OE2-N 2.91Å; E126-Q337 WeakPolarHBondContact OE1-CB 3.18Å; E126-Q337 PolarHBondContact OE1-N 2.83Å
127R98Very high97.8Very high6 Ų634 Ų342%0.02319%0.188CC..Hα-helixtrans-66.8-38.9174-61-167.1-58.5-96.45.3112.2R117 D118 A120 G123 Q124 G129 S130 Y131 K132 D225R117-R127 WeakPolarHBondContact O-CD 3.25Å; R117-R127 VanDerWaalsContact O-CG 3.29Å; R117-R127 WeakPolarHBondContact O-CG 3.38Å; R117-R127 PolarHBondContact O-NH1 2.99Å; D118-R127 PolarHBondContact O-NH1 3.26Å; A120-R127 PolarHBondContact O-NH1 3.28Å; A120-R127 PolarHBondContact O-NH2 2.95Å; G123-R127 PolarHBondContact O-N 3.13Å; G123-R127 VanDerWaalsContact O-N 3.12Å; Q124-R127 PolarHBondContact O-N 2.86Å; R127-G129 VanDerWaalsContact C-N 3.28Å; R127-G129 PolarHBondContact O-N 2.93Å; R127-S130 PolarHBondContact O-N 3.4Å; R127-Y131 HydrophobicContact CB-CD2 3.8Å; R127-Y131 HydrophobicContact CB-CE2 4.37Å; R127-Y131 HydrophobicContact CB-CG 4.33Å; R127-Y131 HydrophobicContact CG-CD2 3.64Å; R127-Y131 HydrophobicContact CG-CE2 3.72Å; R127-Y131 WeakPolarHBondContact O-CA 3.34Å; R127-Y131 WeakPolarHBondContact O-CB 3.31Å; R127-Y131 PolarHBondContact O-N 3.26Å; R127-K132 PolarHBondContact O-N 3.18Å; R127-D225 IonicContact CZ-OD2 3.87Å; R127-D225 IonicContact NH1-OD2 3.45Å; R127-D225 IonicContact NH2-OD2 3.46Å; R127-D225 PolarHBondContact NH2-OD2 3.28Å
128D97.3Very high97.9Very high66 Ų6633.7 Ų33.735%0.35319%0.186SC..Hα-helixtrans-65.2-34.5174.2-80.5-19.7000112Q124 K132Q124-D128 VanDerWaalsContact NE2-CG 3.27Å; Q124-D128 PolarHBondContact NE2-OD1 3.07Å; Q124-D128 PolarHBondContact NE2-OD2 3.44Å; Q124-D128 WeakPolarHBondContact O-CB 3.26Å; Q124-D128 PolarHBondContact O-N 3.19Å; D128-K132 HydrophobicContact CB-CD 4.46Å; D128-K132 WeakPolarHBondContact O-CB 3.5Å; D128-K132 WeakPolarHBondContact OD1-CD 3.49Å
129G95.6Very high97.8Very high18 Ų1836.4 Ų36.419%0.18620%0.199CC..Hα-helixtrans-70.6-38.2174.700000113S125 E126 R127 M290S125-G129 PolarHBondContact O-N 2.93Å; E126-G129 PolarHBondContact O-N 3.46Å; R127-G129 VanDerWaalsContact C-N 3.28Å; R127-G129 PolarHBondContact O-N 2.93Å; G129-M290 VanDerWaalsContact O-CE 3.31Å; G129-M290 WeakPolarHBondContact O-CE 3.27Å
130S96.9Very high97.8Very high0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-111.5-45.7-168.258.70000115.4E126 R127 V134E126-S130 WeakPolarHBondContact O-CB 3.42Å; E126-S130 PolarHBondContact O-N 2.89Å; E126-S130 PolarHBondContact O-OG 3.26Å; R127-S130 PolarHBondContact O-N 3.4Å; S130-V134 WeakPolarHBondContact O-CG2 3.05Å
131Y98.5Very high97.8Very high13 Ų1344.7 Ų44.75%0.05123%0.232CC..Hα-helixtrans-84.2-42.5-176.5-61.7-11.2000111.9D118 R127 V134 I135 R161 L162 V261D118-Y131 WeakPolarHBondContact OD1-CE2 3.49Å; D118-Y131 PolarHBondContact OD1-OH 3.43Å; R127-Y131 HydrophobicContact CB-CD2 3.8Å; R127-Y131 HydrophobicContact CB-CE2 4.37Å; R127-Y131 HydrophobicContact CB-CG 4.33Å; R127-Y131 HydrophobicContact CG-CD2 3.64Å; R127-Y131 HydrophobicContact CG-CE2 3.72Å; R127-Y131 WeakPolarHBondContact O-CA 3.34Å; R127-Y131 WeakPolarHBondContact O-CB 3.31Å; R127-Y131 PolarHBondContact O-N 3.26Å; Y131-V134 WeakPolarHBondContact O-CB 3.27Å; Y131-V134 PolarHBondContact O-N 2.77Å; Y131-I135 WeakPolarHBondContact O-CB 3.36Å; Y131-I135 VanDerWaalsContact O-CG1 3.27Å; Y131-I135 WeakPolarHBondContact O-CG1 3.25Å; Y131-I135 PolarHBondContact O-N 3.44Å; Y131-R161 HydrophobicContact CD2-CG 4.29Å; Y131-R161 HydrophobicContact CE2-CB 4.09Å; Y131-R161 HydrophobicContact CE2-CG 4.02Å; Y131-L162 HydrophobicContact CD1-CB 4.2Å; Y131-L162 HydrophobicContact CD1-CD1 4.31Å; Y131-L162 HydrophobicContact CD1-CD2 4.11Å; Y131-L162 HydrophobicContact CD1-CG 4.45Å; Y131-L162 HydrophobicContact CD2-CB 4.23Å; Y131-L162 HydrophobicContact CE1-CB 4.26Å; Y131-L162 HydrophobicContact CE1-CD2 4.43Å; Y131-L162 HydrophobicContact CE2-CB 4.28Å; Y131-L162 HydrophobicContact CG-CB 4.22Å; Y131-L162 HydrophobicContact CG-CD1 4.08Å; Y131-V261 HydrophobicContact CD1-CB 4.43Å; Y131-V261 HydrophobicContact CD1-CG1 3.87Å; Y131-V261 HydrophobicContact CE1-CB 4.3Å; Y131-V261 HydrophobicContact CE1-CG1 3.77Å
132K98.2Very high97.8Very high102 Ų10243.3 Ų43.344%0.44322%0.215SC..Hα-helixtrans-59.9-43.1-174.6-176.9175.2-176.7174.30114.1R127 D128 V134 I135 M136R127-K132 PolarHBondContact O-N 3.18Å; D128-K132 HydrophobicContact CB-CD 4.46Å; D128-K132 WeakPolarHBondContact O-CB 3.5Å; D128-K132 WeakPolarHBondContact OD1-CD 3.49Å; K132-V134 VanDerWaalsContact C-N 3.32Å; K132-V134 PolarHBondContact O-N 2.9Å; K132-I135 PolarHBondContact O-N 2.87Å; K132-M136 HydrophobicContact CG-CG 4.32Å; K132-M136 HydrophobicContact CG-SD 3.95Å; K132-M136 WeakPolarHBondContact O-CB 3.45Å; K132-M136 VanDerWaalsContact O-CG 3.27Å; K132-M136 WeakPolarHBondContact O-CG 3.45Å; K132-M136 PolarHBondContact O-N 3.13Å
133P98.2Very high97.6Very high36 Ų3644 Ų4423%0.23423%0.227CC..Hα-helixtrans-60.3-42.5176.2-23.935.3000112.5M136 E137 Y351P133-M136 PolarHBondContact O-N 2.79Å; P133-E137 WeakPolarHBondContact O-CB 3.39Å; P133-E137 PolarHBondContact O-N 2.81Å; P133-Y351 HydrophobicContact CB-CD2 4.35Å; P133-Y351 HydrophobicContact CB-CE2 4.12Å
134V98.8Very high97.1Very high0 Ų045.5 Ų45.50%024%0.243CC..Hα-helixtrans-64.6-45.8179.5178.30000111.1S130 Y131 K132 E137 A138 F166 T259 V261 I288 M290 Y351S130-V134 WeakPolarHBondContact O-CG2 3.05Å; Y131-V134 WeakPolarHBondContact O-CB 3.27Å; Y131-V134 PolarHBondContact O-N 2.77Å; K132-V134 VanDerWaalsContact C-N 3.32Å; K132-V134 PolarHBondContact O-N 2.9Å; V134-E137 PolarHBondContact O-N 3.41Å; V134-A138 PolarHBondContact O-N 3.1Å; V134-F166 HydrophobicContact CG1-CZ 4.12Å; V134-T259 HydrophobicContact CG1-CG2 3.6Å; V134-V261 HydrophobicContact CG2-CG2 3.89Å; V134-I288 HydrophobicContact CB-CG2 4.21Å; V134-I288 HydrophobicContact CG1-CB 4.21Å; V134-I288 HydrophobicContact CG1-CG2 3.92Å; V134-I288 HydrophobicContact CG2-CG2 3.98Å; V134-M290 HydrophobicContact CG2-CB 3.76Å; V134-Y351 HydrophobicContact CG2-CE2 4.18Å
135I98.6Very high96.6Very high7 Ų748.5 Ų48.54%0.03627%0.269CS..Hα-helixtrans-61.9-47.7176.9-70.2164.5000111Y131 K132 E137 A138 E139 L162 E165 F166 R169Y131-I135 WeakPolarHBondContact O-CB 3.36Å; Y131-I135 VanDerWaalsContact O-CG1 3.27Å; Y131-I135 WeakPolarHBondContact O-CG1 3.25Å; Y131-I135 PolarHBondContact O-N 3.44Å; K132-I135 PolarHBondContact O-N 2.87Å; I135-E137 VanDerWaalsContact C-N 3.27Å; I135-E137 PolarHBondContact O-N 2.92Å; I135-A138 PolarHBondContact O-N 3.38Å; I135-E139 WeakPolarHBondContact O-CG 3.12Å; I135-E139 PolarHBondContact O-N 2.96Å; I135-L162 HydrophobicContact CD1-CD1 3.95Å; I135-L162 HydrophobicContact CG1-CD1 3.83Å; I135-E165 HydrophobicContact CD1-CB 3.7Å; I135-E165 HydrophobicContact CD1-CG 4.2Å; I135-F166 HydrophobicContact CG1-CE1 4.44Å; I135-F166 HydrophobicContact CG1-CZ 4.33Å; I135-R169 VanDerWaalsContact CG2-CD 3.43Å
136M98.4Very high96.3Very high112 Ų11250 Ų5055%0.55227%0.267SS*.Hα-helixtrans-60.5-39.4-179.9-75.8177.263.800111.7K132 P133 E139 R140K132-M136 HydrophobicContact CG-CG 4.32Å; K132-M136 HydrophobicContact CG-SD 3.95Å; K132-M136 WeakPolarHBondContact O-CB 3.45Å; K132-M136 VanDerWaalsContact O-CG 3.27Å; K132-M136 WeakPolarHBondContact O-CG 3.45Å; K132-M136 PolarHBondContact O-N 3.13Å; P133-M136 PolarHBondContact O-N 2.79Å; M136-E139 PolarHBondContact O-N 3.14Å; M136-R140 WeakPolarHBondContact O-CB 3.27Å; M136-R140 PolarHBondContact O-N 3.21Å
137E98.7Very high96.2Very high27 Ų2751.6 Ų51.613%0.12627%0.272CS..Hα-helixtrans-69-41.1177.9-177.968-179.800112.1P133 V134 I135 E139 R140 L141 I288 Y351 V353P133-E137 WeakPolarHBondContact O-CB 3.39Å; P133-E137 PolarHBondContact O-N 2.81Å; V134-E137 PolarHBondContact O-N 3.41Å; I135-E137 VanDerWaalsContact C-N 3.27Å; I135-E137 PolarHBondContact O-N 2.92Å; E137-E139 VanDerWaalsContact C-N 3.31Å; E137-E139 PolarHBondContact O-N 3.13Å; E137-R140 WeakPolarHBondContact O-CB 3.29Å; E137-R140 PolarHBondContact O-N 3.35Å; E137-R140 VanDerWaalsContact O-N 3.13Å; E137-R140 IonicContact OE1-CZ 3.73Å; E137-R140 IonicContact OE1-NE 3.96Å; E137-R140 PolarHBondContact OE1-NE 2.96Å; E137-R140 IonicContact OE1-NH2 3.19Å; E137-R140 PolarHBondContact OE1-NH2 3.36Å; E137-R140 IonicContact OE2-CZ 3.6Å; E137-R140 IonicContact OE2-NE 3.54Å; E137-R140 PolarHBondContact OE2-NE 3.1Å; E137-R140 IonicContact OE2-NH2 3.56Å; E137-L141 HydrophobicContact CG-CD1 4.08Å; E137-L141 HydrophobicContact CG-CG 4.41Å; E137-L141 WeakPolarHBondContact O-CB 3.35Å; E137-L141 VanDerWaalsContact O-CG 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.29Å; E137-L141 PolarHBondContact O-N 3.01Å; E137-I288 HydrophobicContact CB-CD1 3.94Å; E137-I288 HydrophobicContact CG-CD1 3.73Å; E137-I288 HydrophobicContact CG-CG1 4.24Å; E137-Y351 WeakPolarHBondContact CB-OH 3.21Å; E137-Y351 VanDerWaalsContact CG-OH 3.25Å; E137-Y351 WeakPolarHBondContact CG-OH 3.44Å; E137-V353 HydrophobicContact CG-CG1 4.35Å; E137-V353 HydrophobicContact CG-CG2 3.72Å
138A98.6Very high96Very high0 Ų053.9 Ų53.90%029%0.289CS..Hα-helixtrans-60.2-41.1172.800000112.1V134 I135 R140 L141 F142 F166 F171 L257 I288V134-A138 PolarHBondContact O-N 3.1Å; I135-A138 PolarHBondContact O-N 3.38Å; A138-R140 VanDerWaalsContact C-N 3.3Å; A138-R140 PolarHBondContact O-N 3.21Å; A138-L141 PolarHBondContact O-N 3.42Å; A138-F142 WeakPolarHBondContact O-CB 3.12Å; A138-F142 VanDerWaalsContact O-CD2 3.3Å; A138-F142 WeakPolarHBondContact O-CD2 3.47Å; A138-F142 PolarHBondContact O-N 3.36Å; A138-F166 HydrophobicContact CB-CE1 3.53Å; A138-F166 HydrophobicContact CB-CZ 4.2Å; A138-F171 HydrophobicContact CB-CZ 4.36Å; A138-L257 HydrophobicContact CB-CD2 3.56Å; A138-I288 HydrophobicContact CB-CD1 4.39Å
139E97.7Very high96Very high59 Ų5956.6 Ų56.628%0.27630%0.298SS..Hα-helixtrans-65.9-32.1175.3-69-168.711700113I135 M136 E137 F142 P143 R147 R169 F171I135-E139 WeakPolarHBondContact O-CG 3.12Å; I135-E139 PolarHBondContact O-N 2.96Å; M136-E139 PolarHBondContact O-N 3.14Å; E137-E139 VanDerWaalsContact C-N 3.31Å; E137-E139 PolarHBondContact O-N 3.13Å; E139-F142 CarbonylContact O-C 3.49Å; E139-F142 VanDerWaalsContact O-C 3.3Å; E139-P143 WeakPolarHBondContact O-CA 3.44Å; E139-R147 IonicContact OE1-CZ 3.63Å; E139-R147 IonicContact OE1-NH1 2.86Å; E139-R147 PolarHBondContact OE1-NH1 2.86Å; E139-R147 IonicContact OE1-NH2 3.65Å; E139-R169 IonicContact OE1-NE 3.96Å; E139-R169 IonicContact OE2-NE 2.69Å; E139-F171 HydrophobicContact CG-CE2 4.45Å
140R98Very high96.1Very high147 Ų14757.1 Ų57.156%0.55530%0.296SS*.Hα-helixtrans-70.5-41.9174.5-169.5-165.469.571.6-2.8111.8M136 E137 A138 F142M136-R140 WeakPolarHBondContact O-CB 3.27Å; M136-R140 PolarHBondContact O-N 3.21Å; E137-R140 WeakPolarHBondContact O-CB 3.29Å; E137-R140 PolarHBondContact O-N 3.35Å; E137-R140 VanDerWaalsContact O-N 3.13Å; E137-R140 IonicContact OE1-CZ 3.73Å; E137-R140 IonicContact OE1-NE 3.96Å; E137-R140 PolarHBondContact OE1-NE 2.96Å; E137-R140 IonicContact OE1-NH2 3.19Å; E137-R140 PolarHBondContact OE1-NH2 3.36Å; E137-R140 IonicContact OE2-CZ 3.6Å; E137-R140 IonicContact OE2-NE 3.54Å; E137-R140 PolarHBondContact OE2-NE 3.1Å; E137-R140 IonicContact OE2-NH2 3.56Å; A138-R140 VanDerWaalsContact C-N 3.3Å; A138-R140 PolarHBondContact O-N 3.21Å; R140-F142 VanDerWaalsContact C-N 3.34Å
141L98Very high96.2Very high27 Ų2760.8 Ų60.814%0.14131%0.31CS..Hα-helixtrans-69.1-34.7177-68.7169.9000111.4E137 A138 P143 Y286 I288 V353E137-L141 HydrophobicContact CG-CD1 4.08Å; E137-L141 HydrophobicContact CG-CG 4.41Å; E137-L141 WeakPolarHBondContact O-CB 3.35Å; E137-L141 VanDerWaalsContact O-CG 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.29Å; E137-L141 PolarHBondContact O-N 3.01Å; A138-L141 PolarHBondContact O-N 3.42Å; L141-P143 VanDerWaalsContact C-CD 3.48Å; L141-P143 WeakPolarHBondContact O-CD 3.44Å; L141-Y286 HydrophobicContact CB-CE2 4.46Å; L141-Y286 HydrophobicContact CD1-CD1 4.11Å; L141-Y286 HydrophobicContact CD1-CD2 3.96Å; L141-Y286 HydrophobicContact CD1-CG 3.74Å; L141-Y286 HydrophobicContact CD2-CD1 4.04Å; L141-Y286 HydrophobicContact CD2-CD2 4.32Å; L141-Y286 HydrophobicContact CD2-CE1 3.8Å; L141-Y286 HydrophobicContact CD2-CE2 4.07Å; L141-Y286 HydrophobicContact CD2-CG 4.3Å; L141-I288 HydrophobicContact CD1-CD1 4.14Å; L141-V353 HydrophobicContact CD1-CG1 4.47Å
142F97.4Very high96.2Very high30 Ų3060.2 Ų60.213%0.13231%0.308CS..  trans-12571.6-177.4-52.3-72.9000112.1A138 E139 R140 G144 R147 I150 F171 D256 L257 Y286A138-F142 WeakPolarHBondContact O-CB 3.12Å; A138-F142 VanDerWaalsContact O-CD2 3.3Å; A138-F142 WeakPolarHBondContact O-CD2 3.47Å; A138-F142 PolarHBondContact O-N 3.36Å; E139-F142 CarbonylContact O-C 3.49Å; E139-F142 VanDerWaalsContact O-C 3.3Å; R140-F142 VanDerWaalsContact C-N 3.34Å; F142-G144 VanDerWaalsContact C-N 3.32Å; F142-G144 PolarHBondContact O-N 2.85Å; F142-R147 PolarHBondContact O-NE 3.16Å; F142-R147 PolarHBondContact O-NH2 3.33Å; F142-I150 HydrophobicContact CB-CG1 4.28Å; F142-I150 HydrophobicContact CD1-CD1 3.68Å; F142-I150 HydrophobicContact CD1-CG1 3.87Å; F142-I150 HydrophobicContact CD1-CG2 3.89Å; F142-I150 HydrophobicContact CD2-CG2 3.81Å; F142-I150 HydrophobicContact CE1-CD1 3.96Å; F142-I150 HydrophobicContact CE1-CG1 4.43Å; F142-I150 HydrophobicContact CE1-CG2 3.87Å; F142-I150 HydrophobicContact CE2-CG2 3.8Å; F142-I150 HydrophobicContact CG-CD1 4.42Å; F142-I150 HydrophobicContact CG-CG1 4.11Å; F142-I150 HydrophobicContact CG-CG2 3.85Å; F142-I150 HydrophobicContact CZ-CG2 3.81Å; F142-F171 HydrophobicContact CB-CE1 3.9Å; F142-F171 HydrophobicContact CB-CZ 4.18Å; F142-F171 AromaticContact CD2-CE1 3.95Å; F142-F171 HydrophobicContact CD2-CE1 3.95Å; F142-F171 HydrophobicContact CG-CE1 4.2Å; F142-D256 HydrophobicContact CZ-CB 4.26Å; F142-L257 HydrophobicContact CE2-CB 4.07Å; F142-L257 HydrophobicContact CE2-CD2 4.29Å; F142-Y286 HydrophobicContact CE1-CE2 4.43Å; F142-Y286 HydrophobicContact CE2-CD2 4.29Å; F142-Y286 AromaticContact CZ-CD2 3.75Å; F142-Y286 HydrophobicContact CZ-CD2 3.75Å; F142-Y286 HydrophobicContact CZ-CE2 4.1Å
143P94.5Very high96.2Very high103 Ų10355.3 Ų55.367%0.66929%0.287SS*.  trans-77.3-15.3-176.431.5-36.6000113.8E139 L141E139-P143 WeakPolarHBondContact O-CA 3.44Å; L141-P143 VanDerWaalsContact C-CD 3.48Å; L141-P143 WeakPolarHBondContact O-CD 3.44Å
144G87Confident96.2Very high35 Ų3553.8 Ų53.836%0.36128%0.277SS..SBendtrans-68.7160.2-174.200000114F142 E146 R147F142-G144 VanDerWaalsContact C-N 3.32Å; F142-G144 PolarHBondContact O-N 2.85Å; G144-E146 PolarHBondContact O-N 2.87Å; G144-R147 WeakPolarHBondContact O-CG 3.25Å
145P86.8Confident96.2Very high135 Ų13553.9 Ų53.988%0.87728%0.277SS*.THydrogen-bonded Turntrans-70.4-17.1179.730.2-35.7000113.1R147P145-R147 PolarHBondContact O-N 2.95Å; P145-R147 VanDerWaalsContact O-N 3.15Å
146E89.6Confident96.2Very high113 Ų11354.9 Ų54.953%0.52829%0.289SS..THydrogen-bonded Turntrans-86.234.1-176.2-53.7-163.8132.900113.4G144 S148 K149G144-E146 PolarHBondContact O-N 2.87Å; E146-S148 PolarHBondContact O-N 2.99Å; E146-K149 HydrophobicContact CB-CD 4.2Å; E146-K149 HydrophobicContact CB-CG 4.48Å; E146-K149 PolarHBondContact O-N 3.28Å; E146-K149 IonicContact OE1-NZ 2.74Å; E146-K149 PolarHBondContact OE1-NZ 2.97Å; E146-K149 IonicContact OE2-NZ 2.73Å; E146-K149 PolarHBondContact OE2-NZ 3.48Å
147R94.9Very high96.2Very high47 Ų4749.7 Ų49.718%0.17726%0.264CS..G310 helixtrans-55.2-24.5178-74.7173-178176.5-1.3112.9E139 F142 G144 P145 K149 I150 R169 G170 F171E139-R147 IonicContact OE1-CZ 3.63Å; E139-R147 IonicContact OE1-NH1 2.86Å; E139-R147 PolarHBondContact OE1-NH1 2.86Å; E139-R147 IonicContact OE1-NH2 3.65Å; F142-R147 PolarHBondContact O-NE 3.16Å; F142-R147 PolarHBondContact O-NH2 3.33Å; G144-R147 WeakPolarHBondContact O-CG 3.25Å; P145-R147 PolarHBondContact O-N 2.95Å; P145-R147 VanDerWaalsContact O-N 3.15Å; R147-K149 PolarHBondContact O-N 3.33Å; R147-K149 VanDerWaalsContact O-N 3.12Å; R147-I150 WeakPolarHBondContact O-CB 3.38Å; R147-I150 PolarHBondContact O-N 2.99Å; R147-R169 VanDerWaalsContact CD-O 3.23Å; R147-R169 WeakPolarHBondContact CD-O 3.43Å; R147-G170 CarbonylContact C-O 3.58Å; R147-F171 HydrophobicContact CB-CD1 4.2Å; R147-F171 HydrophobicContact CB-CE1 4.26Å; R147-F171 HydrophobicContact CB-CG 4.34Å; R147-F171 HydrophobicContact CB-CZ 4.47Å; R147-F171 HydrophobicContact CG-CD1 4.43Å; R147-F171 HydrophobicContact CG-CE1 3.98Å; R147-F171 HydrophobicContact CG-CE2 4.26Å; R147-F171 HydrophobicContact CG-CZ 3.9Å; R147-F171 WeakPolarHBondContact O-CA 3.34Å
148S95.1Very high96.1Very high54 Ų5448.7 Ų48.738%0.37826%0.261SS..G310 helixtrans-64.4-15.5177.665.20000114.2E146 G170 G234E146-S148 PolarHBondContact O-N 2.99Å; S148-G170 WeakPolarHBondContact CA-O 3.26Å; S148-G170 PolarHBondContact N-O 3.3Å; S148-G234 WeakPolarHBondContact CB-O 3.3Å
149K95.9Very high96.1Very high123 Ų12348.7 Ų48.754%0.53526%0.261SS..G310 helixtrans-92.2-11.6173.6-59.4-178.5-171.9168.10112.9E146 R147E146-K149 HydrophobicContact CB-CD 4.2Å; E146-K149 HydrophobicContact CB-CG 4.48Å; E146-K149 PolarHBondContact O-N 3.28Å; E146-K149 IonicContact OE1-NZ 2.74Å; E146-K149 PolarHBondContact OE1-NZ 2.97Å; E146-K149 IonicContact OE2-NZ 2.73Å; E146-K149 PolarHBondContact OE2-NZ 3.48Å; R147-K149 PolarHBondContact O-N 3.33Å; R147-K149 VanDerWaalsContact O-N 3.12Å
150I98Very high96.1Very high29 Ų2945.9 Ų45.915%0.14925%0.248CC..SBendtrans-90.1112-178.8-52.6-56000108.2F142 R147 V152 F171 D172 D256F142-I150 HydrophobicContact CB-CG1 4.28Å; F142-I150 HydrophobicContact CD1-CD1 3.68Å; F142-I150 HydrophobicContact CD1-CG1 3.87Å; F142-I150 HydrophobicContact CD1-CG2 3.89Å; F142-I150 HydrophobicContact CD2-CG2 3.81Å; F142-I150 HydrophobicContact CE1-CD1 3.96Å; F142-I150 HydrophobicContact CE1-CG1 4.43Å; F142-I150 HydrophobicContact CE1-CG2 3.87Å; F142-I150 HydrophobicContact CE2-CG2 3.8Å; F142-I150 HydrophobicContact CG-CD1 4.42Å; F142-I150 HydrophobicContact CG-CG1 4.11Å; F142-I150 HydrophobicContact CG-CG2 3.85Å; F142-I150 HydrophobicContact CZ-CG2 3.81Å; R147-I150 WeakPolarHBondContact O-CB 3.38Å; R147-I150 PolarHBondContact O-N 2.99Å; I150-V152 HydrophobicContact CG2-CG2 4.45Å; I150-F171 HydrophobicContact CB-CD1 3.81Å; I150-F171 HydrophobicContact CB-CE1 4.07Å; I150-F171 HydrophobicContact CG2-CD1 3.83Å; I150-F171 HydrophobicContact CG2-CE1 3.88Å; I150-D172 PolarHBondContact O-N 3.24Å; I150-D172 VanDerWaalsContact O-N 3.11Å; I150-D256 HydrophobicContact CG2-CB 3.77Å
151R98.5Very high96.1Very high78 Ų7839.3 Ų39.329%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-86.7118.3-179-63.5-175.668.3-156.83.7110.3D172 C254 W255 D256 L257R151-D172 CarbonylContact C-O 3.03Å; R151-D172 WeakPolarHBondContact CA-O 3.5Å; R151-D172 HydrophobicContact CG-CB 4.4Å; R151-C254 WeakPolarHBondContact CD-O 3.17Å; R151-C254 PolarHBondContact NH1-O 3.18Å; R151-W255 HydrophobicContact CB-CE3 3.71Å; R151-W255 HydrophobicContact CB-CZ3 4.08Å; R151-D256 PolarHBondContact N-OD2 2.83Å; R151-D256 PolarHBondContact O-N 3.41Å; R151-L257 PolarHBondContact O-N 2.83Å; R151-L257 VanDerWaalsContact O-N 3.12Å
152V98.8Very high96.2Very high0 Ų038.2 Ų38.20%022%0.218CC..EExtended strand (participates in β ladder)trans-110.9126.6-179.8-173.80000109.5I150 V154 F166 F171 D172 C173 Q174 L257 T259I150-V152 HydrophobicContact CG2-CG2 4.45Å; V152-V154 HydrophobicContact CG1-CG2 4.35Å; V152-F166 HydrophobicContact CG1-CD1 4.22Å; V152-F166 HydrophobicContact CG1-CD2 3.88Å; V152-F166 HydrophobicContact CG1-CE1 4.32Å; V152-F166 HydrophobicContact CG1-CE2 3.96Å; V152-F166 HydrophobicContact CG1-CG 4.03Å; V152-F166 HydrophobicContact CG1-CZ 4.2Å; V152-F166 HydrophobicContact CG2-CD1 4.41Å; V152-F171 HydrophobicContact CG2-CB 3.84Å; V152-F171 HydrophobicContact CG2-CD1 3.6Å; V152-F171 HydrophobicContact CG2-CE1 4.41Å; V152-F171 HydrophobicContact CG2-CG 3.91Å; V152-D172 PolarHBondContact N-O 3.16Å; V152-C173 HydrophobicContact CB-CB 4.45Å; V152-C173 CarbonylContact O-C 3.44Å; V152-C173 VanDerWaalsContact O-CA 3.31Å; V152-C173 WeakPolarHBondContact O-CA 3.5Å; V152-Q174 PolarHBondContact O-N 3.43Å; V152-L257 CarbonylContact C-O 3.31Å; V152-L257 WeakPolarHBondContact CA-O 3.47Å; V152-L257 HydrophobicContact CG1-CB 4.44Å; V152-L257 HydrophobicContact CG1-CD2 3.97Å; V152-L257 HydrophobicContact CG1-CG 4.15Å; V152-L257 HydrophobicContact CG2-CB 4.23Å; V152-L257 HydrophobicContact CG2-CD2 4.08Å; V152-T259 HydrophobicContact CG1-CG2 4.36Å
153L98.9Very high96.2Very high0 Ų036.8 Ų36.80%021%0.211CC..EExtended strand (participates in β ladder)trans-107.3132.6172.3176.859.2000110.4P155 Q174 F244 Y248 W255 L257 V258 T259 L280L153-P155 HydrophobicContact CD2-CG 4.39Å; L153-P155 HydrophobicContact CG-CG 4.09Å; L153-Q174 HydrophobicContact CD1-CB 4.38Å; L153-Q174 HydrophobicContact CD1-CG 4.46Å; L153-F244 HydrophobicContact CD2-CE2 4.01Å; L153-Y248 HydrophobicContact CD1-CE1 3.91Å; L153-Y248 HydrophobicContact CD1-CE2 4.03Å; L153-Y248 VanDerWaalsContact CD1-CZ 3.42Å; L153-Y248 WeakPolarHBondContact CD1-OH 3.41Å; L153-Y248 HydrophobicContact CD2-CD1 4.16Å; L153-Y248 HydrophobicContact CD2-CD2 4.44Å; L153-Y248 HydrophobicContact CD2-CE1 3.93Å; L153-Y248 HydrophobicContact CD2-CE2 4.23Å; L153-Y248 HydrophobicContact CD2-CG 4.43Å; L153-W255 HydrophobicContact CB-CD2 3.7Å; L153-W255 HydrophobicContact CB-CE3 3.63Å; L153-W255 HydrophobicContact CB-CG 4.18Å; L153-W255 HydrophobicContact CB-CH2 4.45Å; L153-W255 HydrophobicContact CB-CZ3 4.02Å; L153-W255 HydrophobicContact CD1-CH2 4.44Å; L153-W255 HydrophobicContact CD1-CZ2 4.4Å; L153-W255 HydrophobicContact CD2-CD2 4.33Å; L153-W255 HydrophobicContact CD2-CG 4.48Å; L153-L257 PolarHBondContact N-O 2.78Å; L153-V258 HydrophobicContact CB-CG2 4.22Å; L153-V258 HydrophobicContact CD2-CG2 4.42Å; L153-V258 WeakPolarHBondContact O-CA 3.48Å; L153-T259 PolarHBondContact O-N 3.07Å; L153-L280 HydrophobicContact CD2-CD1 3.63Å
154V98.9Very high96.4Very high4 Ų432.1 Ų32.12%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-120.889.4176.6-171.60000109.4V152 A157 L162 A163 F166 Q174 G175 N176V152-V154 HydrophobicContact CG1-CG2 4.35Å; V154-A157 HydrophobicContact CG1-CB 4.37Å; V154-L162 HydrophobicContact CG1-CB 4.32Å; V154-L162 HydrophobicContact CG1-CD2 3.79Å; V154-L162 HydrophobicContact CG1-CG 4.1Å; V154-L162 HydrophobicContact CG2-CG 4.42Å; V154-A163 HydrophobicContact CB-CB 4.5Å; V154-A163 HydrophobicContact CG2-CB 4.29Å; V154-F166 HydrophobicContact CG2-CD2 3.93Å; V154-F166 HydrophobicContact CG2-CE2 4.14Å; V154-Q174 PolarHBondContact N-O 2.84Å; V154-G175 WeakPolarHBondContact O-CA 3.34Å; V154-N176 PolarHBondContact O-N 2.86Å
155P98.6Very high96.9Very high1 Ų131.8 Ų31.81%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-68147.1170.3-18.134.3000111.2L153 F244 V258 T259 T260 F263L153-P155 HydrophobicContact CD2-CG 4.39Å; L153-P155 HydrophobicContact CG-CG 4.09Å; P155-F244 HydrophobicContact CB-CD2 3.74Å; P155-F244 HydrophobicContact CB-CE2 4.03Å; P155-F244 HydrophobicContact CB-CG 4.12Å; P155-F244 HydrophobicContact CG-CD2 3.77Å; P155-F244 HydrophobicContact CG-CE2 3.52Å; P155-F244 HydrophobicContact CG-CG 4.49Å; P155-F244 HydrophobicContact CG-CZ 4.04Å; P155-V258 HydrophobicContact CG-CG1 4.09Å; P155-T259 VanDerWaalsContact CD-O 3.32Å; P155-T259 WeakPolarHBondContact CD-O 3.5Å; P155-T260 HydrophobicContact CG-CG2 4.47Å; P155-F263 HydrophobicContact CB-CD1 3.74Å; P155-F263 HydrophobicContact CB-CD2 4.14Å; P155-F263 HydrophobicContact CB-CE1 3.34Å; P155-F263 HydrophobicContact CB-CE2 3.77Å; P155-F263 HydrophobicContact CB-CG 4.11Å; P155-F263 HydrophobicContact CB-CZ 3.35Å; P155-F263 HydrophobicContact CG-CE1 4.17Å
156G97.7Very high97.4Very high28 Ų2825.4 Ų25.429%0.28913%0.128SC..SBendtrans63.942.3-175.200000112.5G158 N176 F263G156-G158 PolarHBondContact O-N 3.41Å; G156-G158 VanDerWaalsContact O-N 3.13Å; G156-N176 WeakPolarHBondContact CA-O 3.48Å; G156-N176 PolarHBondContact N-O 3.06Å; G156-F263 VanDerWaalsContact CA-CD2 3.44Å
157A98.1Very high97.8Very high4 Ų420 Ų203%0.03310%0.102CC..  trans-66.7-12.2-171.700000114.2V154 L159 G160 N176 M239V154-A157 HydrophobicContact CG1-CB 4.37Å; A157-L159 PolarHBondContact O-N 3.03Å; A157-L159 VanDerWaalsContact O-N 3.16Å; A157-G160 WeakPolarHBondContact O-CA 3.26Å; A157-G160 PolarHBondContact O-N 3.34Å; A157-N176 PolarHBondContact N-O 2.83Å; A157-M239 HydrophobicContact CB-CE 3.76Å
158G97.4Very high97.8Very high6 Ų621.4 Ų21.46%0.06211%0.108CC..THydrogen-bonded Turntrans59.9-117.7179.200000111.2G156 G160 E177G156-G158 PolarHBondContact O-N 3.41Å; G156-G158 VanDerWaalsContact O-N 3.13Å; G158-G160 VanDerWaalsContact C-N 3.27Å; G158-E177 VanDerWaalsContact CA-OE2 3.23Å; G158-E177 WeakPolarHBondContact CA-OE2 3.32Å; G158-E177 PolarHBondContact N-OE2 3.27Å
159L98.1Very high97.8Very high0 Ų022.5 Ų22.50%010%0.104CC..THydrogen-bonded Turntrans-94.816.2179-7359.8000111.7Q114 L115 D118 W119 A157 R161 M182 C185 S186Q114-L159 HydrophobicContact CB-CD1 3.75Å; Q114-L159 HydrophobicContact CB-CD2 4.33Å; L115-L159 HydrophobicContact CB-CD2 4.21Å; L115-L159 HydrophobicContact CD2-CD2 3.61Å; L115-L159 HydrophobicContact CG-CD2 3.67Å; D118-L159 HydrophobicContact CB-CB 4.08Å; D118-L159 WeakPolarHBondContact OD2-CB 3.27Å; D118-L159 PolarHBondContact OD2-N 3.36Å; D118-L159 VanDerWaalsContact OD2-N 3.11Å; W119-L159 PolarHBondContact NE1-O 2.95Å; A157-L159 PolarHBondContact O-N 3.03Å; A157-L159 VanDerWaalsContact O-N 3.16Å; L159-R161 PolarHBondContact O-N 2.75Å; L159-M182 HydrophobicContact CD1-CB 4.16Å; L159-M182 HydrophobicContact CD1-CG 4.35Å; L159-M182 HydrophobicContact CD1-SD 3.5Å; L159-M182 WeakPolarHBondContact CD1-SD 3.44Å; L159-C185 HydrophobicContact CD2-CB 4.01Å; L159-C185 HydrophobicContact CG-CB 3.96Å; L159-S186 PolarHBondContact O-OG 3.28Å
160G98.2Very high97.9Very high0 Ų017.1 Ų17.10%08%0.083CC..SBendtrans81.28.3169.500000115.1A157 G158 L162 A163 W164A157-G160 WeakPolarHBondContact O-CA 3.26Å; A157-G160 PolarHBondContact O-N 3.34Å; G158-G160 VanDerWaalsContact C-N 3.27Å; G160-L162 PolarHBondContact O-N 2.96Å; G160-A163 PolarHBondContact O-N 3.45Å; G160-W164 WeakPolarHBondContact O-CB 3.45Å; G160-W164 PolarHBondContact O-N 2.85Å
161R98.5Very high97.8Very high9 Ų915.8 Ų15.83%0.0348%0.076CC..Hα-helixtrans-62.5-47.8-175.417959.9173.8-113.59.1113D118 W119 Y131 L159 A163 W164 E165 D225D118-R161 HydrophobicContact CB-CB 3.67Å; D118-R161 HydrophobicContact CB-CG 4.5Å; D118-R161 WeakPolarHBondContact O-CB 3.43Å; D118-R161 VanDerWaalsContact O-CD 3.27Å; D118-R161 WeakPolarHBondContact O-CD 3.34Å; D118-R161 WeakPolarHBondContact O-CG 3.38Å; D118-R161 PolarHBondContact O-NH1 2.69Å; W119-R161 HydrophobicContact CZ2-CB 4.29Å; Y131-R161 HydrophobicContact CD2-CG 4.29Å; Y131-R161 HydrophobicContact CE2-CB 4.09Å; Y131-R161 HydrophobicContact CE2-CG 4.02Å; L159-R161 PolarHBondContact O-N 2.75Å; R161-A163 VanDerWaalsContact C-N 3.33Å; R161-A163 PolarHBondContact O-N 3.11Å; R161-W164 WeakPolarHBondContact O-CB 3.46Å; R161-W164 PolarHBondContact O-N 2.79Å; R161-E165 HydrophobicContact CG-CG 4.36Å; R161-E165 IonicContact CZ-OE1 3.78Å; R161-E165 IonicContact NE-OE1 3.46Å; R161-E165 PolarHBondContact NE-OE1 2.84Å; R161-E165 IonicContact NH2-OE1 2.84Å; R161-E165 PolarHBondContact NH2-OE1 3.44Å; R161-E165 VanDerWaalsContact O-CG 3.29Å; R161-E165 WeakPolarHBondContact O-CG 3.23Å; R161-E165 PolarHBondContact O-N 3.13Å; R161-D225 IonicContact CZ-OD1 2.72Å; R161-D225 IonicContact NH1-OD1 3.76Å; R161-D225 PolarHBondContact NH1-OD1 3.12Å; R161-D225 IonicContact NH1-OD2 3.27Å; R161-D225 IonicContact NH2-OD1 3.6Å; R161-D225 IonicContact NH2-OD2 2.67Å
162L98.7Very high97.8Very high4 Ų413.1 Ų13.12%0.0217%0.068CC..Hα-helixtrans-62.5-42.6179.7177.757.8000111.3Y131 I135 V154 G160 W164 E165 F166 V261Y131-L162 HydrophobicContact CD1-CB 4.2Å; Y131-L162 HydrophobicContact CD1-CD1 4.31Å; Y131-L162 HydrophobicContact CD1-CD2 4.11Å; Y131-L162 HydrophobicContact CD1-CG 4.45Å; Y131-L162 HydrophobicContact CD2-CB 4.23Å; Y131-L162 HydrophobicContact CE1-CB 4.26Å; Y131-L162 HydrophobicContact CE1-CD2 4.43Å; Y131-L162 HydrophobicContact CE2-CB 4.28Å; Y131-L162 HydrophobicContact CG-CB 4.22Å; Y131-L162 HydrophobicContact CG-CD1 4.08Å; I135-L162 HydrophobicContact CD1-CD1 3.95Å; I135-L162 HydrophobicContact CG1-CD1 3.83Å; V154-L162 HydrophobicContact CG1-CB 4.32Å; V154-L162 HydrophobicContact CG1-CD2 3.79Å; V154-L162 HydrophobicContact CG1-CG 4.1Å; V154-L162 HydrophobicContact CG2-CG 4.42Å; G160-L162 PolarHBondContact O-N 2.96Å; L162-W164 VanDerWaalsContact C-N 3.33Å; L162-W164 PolarHBondContact O-N 2.83Å; L162-E165 PolarHBondContact O-N 3.39Å; L162-F166 HydrophobicContact CD1-CD2 3.99Å; L162-F166 HydrophobicContact CD1-CE2 3.57Å; L162-F166 HydrophobicContact CD1-CZ 4.31Å; L162-F166 HydrophobicContact CD2-CE2 4.34Å; L162-F166 HydrophobicContact CG-CD2 4.06Å; L162-F166 HydrophobicContact CG-CE2 3.77Å; L162-F166 VanDerWaalsContact O-CD2 3.29Å; L162-F166 WeakPolarHBondContact O-CD2 3.47Å; L162-F166 PolarHBondContact O-N 3.12Å; L162-V261 HydrophobicContact CD2-CB 4.16Å; L162-V261 HydrophobicContact CD2-CG2 3.54Å
163A98.5Very high97.8Very high0 Ų013.1 Ų13.10%07%0.068CC..Hα-helixtrans-61.7-41.6175.900000111.8V154 G160 R161 F166 A167 C173 L237 M239V154-A163 HydrophobicContact CB-CB 4.5Å; V154-A163 HydrophobicContact CG2-CB 4.29Å; G160-A163 PolarHBondContact O-N 3.45Å; R161-A163 VanDerWaalsContact C-N 3.33Å; R161-A163 PolarHBondContact O-N 3.11Å; A163-F166 PolarHBondContact O-N 2.68Å; A163-A167 PolarHBondContact O-N 2.88Å; A163-C173 VanDerWaalsContact CA-SG 3.53Å; A163-L237 HydrophobicContact CB-CD1 3.64Å; A163-M239 HydrophobicContact CB-SD 4.5Å
164W98.1Very high97.8Very high5 Ų514.6 Ų14.62%0.0198%0.075CC..Hα-helixtrans-62.2-41.6173.9-178.493.6000112.5W119 G160 R161 L162 F166 A167 R168 L190 V226 P228 L231 L237W119-W164 HydrophobicContact CH2-CB 3.98Å; W119-W164 HydrophobicContact CH2-CD2 4.08Å; W119-W164 AromaticContact CH2-CG 3.77Å; W119-W164 HydrophobicContact CH2-CG 3.77Å; W119-W164 HydrophobicContact CZ2-CB 4.47Å; W119-W164 HydrophobicContact CZ3-CD2 4.39Å; G160-W164 WeakPolarHBondContact O-CB 3.45Å; G160-W164 PolarHBondContact O-N 2.85Å; R161-W164 WeakPolarHBondContact O-CB 3.46Å; R161-W164 PolarHBondContact O-N 2.79Å; L162-W164 VanDerWaalsContact C-N 3.33Å; L162-W164 PolarHBondContact O-N 2.83Å; W164-F166 VanDerWaalsContact C-N 3.32Å; W164-F166 PolarHBondContact O-N 2.97Å; W164-A167 PolarHBondContact O-N 3.18Å; W164-R168 HydrophobicContact CE3-CB 4.46Å; W164-R168 HydrophobicContact CH2-CB 4.46Å; W164-R168 HydrophobicContact CH2-CG 4.06Å; W164-R168 HydrophobicContact CZ2-CG 4.48Å; W164-R168 HydrophobicContact CZ3-CB 4.34Å; W164-R168 HydrophobicContact CZ3-CG 4.27Å; W164-R168 VanDerWaalsContact O-CB 3.27Å; W164-R168 WeakPolarHBondContact O-CB 3.42Å; W164-R168 PolarHBondContact O-N 3.25Å; W164-L190 HydrophobicContact CB-CD2 4.16Å; W164-L190 HydrophobicContact CG-CD2 4.29Å; W164-V226 HydrophobicContact CH2-CB 4.37Å; W164-V226 HydrophobicContact CH2-CG1 3.72Å; W164-V226 HydrophobicContact CH2-CG2 3.74Å; W164-V226 HydrophobicContact CZ2-CG1 4.19Å; W164-V226 HydrophobicContact CZ2-CG2 4.26Å; W164-V226 HydrophobicContact CZ3-CG1 4.01Å; W164-P228 PolarHBondContact NE1-O 3.45Å; W164-L231 HydrophobicContact CD2-CD2 4.26Å; W164-L231 HydrophobicContact CG-CD2 4.13Å; W164-L231 HydrophobicContact CZ2-CD2 4.49Å; W164-L237 HydrophobicContact CB-CD2 4.1Å; W164-L237 HydrophobicContact CG-CD2 4.47Å
165E97.8Very high97.8Very high28 Ų2814.4 Ų14.413%0.1317%0.074CC..Hα-helixtrans-64-35.9177.2-69.6-76.4171.900112.2I135 R161 L162 R169I135-E165 HydrophobicContact CD1-CB 3.7Å; I135-E165 HydrophobicContact CD1-CG 4.2Å; R161-E165 HydrophobicContact CG-CG 4.36Å; R161-E165 IonicContact CZ-OE1 3.78Å; R161-E165 IonicContact NE-OE1 3.46Å; R161-E165 PolarHBondContact NE-OE1 2.84Å; R161-E165 IonicContact NH2-OE1 2.84Å; R161-E165 PolarHBondContact NH2-OE1 3.44Å; R161-E165 VanDerWaalsContact O-CG 3.29Å; R161-E165 WeakPolarHBondContact O-CG 3.23Å; R161-E165 PolarHBondContact O-N 3.13Å; L162-E165 PolarHBondContact O-N 3.39Å; E165-R169 PolarHBondContact O-N 3.35Å; E165-R169 PolarHBondContact O-NH1 2.95Å; E165-R169 IonicContact OE2-CZ 3.96Å; E165-R169 IonicContact OE2-NH1 3.37Å; E165-R169 PolarHBondContact OE2-NH1 3.42Å; E165-R169 IonicContact OE2-NH2 3.73Å; E165-R169 PolarHBondContact OE2-NH2 3.23Å
166F97.9Very high97.8Very high0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-65.6-50.9171.7-82.3-60.5000111.8V134 I135 A138 V152 V154 L162 A163 W164 R168 R169 G170 F171 C173 L257 T259V134-F166 HydrophobicContact CG1-CZ 4.12Å; I135-F166 HydrophobicContact CG1-CE1 4.44Å; I135-F166 HydrophobicContact CG1-CZ 4.33Å; A138-F166 HydrophobicContact CB-CE1 3.53Å; A138-F166 HydrophobicContact CB-CZ 4.2Å; V152-F166 HydrophobicContact CG1-CD1 4.22Å; V152-F166 HydrophobicContact CG1-CD2 3.88Å; V152-F166 HydrophobicContact CG1-CE1 4.32Å; V152-F166 HydrophobicContact CG1-CE2 3.96Å; V152-F166 HydrophobicContact CG1-CG 4.03Å; V152-F166 HydrophobicContact CG1-CZ 4.2Å; V152-F166 HydrophobicContact CG2-CD1 4.41Å; V154-F166 HydrophobicContact CG2-CD2 3.93Å; V154-F166 HydrophobicContact CG2-CE2 4.14Å; L162-F166 HydrophobicContact CD1-CD2 3.99Å; L162-F166 HydrophobicContact CD1-CE2 3.57Å; L162-F166 HydrophobicContact CD1-CZ 4.31Å; L162-F166 HydrophobicContact CD2-CE2 4.34Å; L162-F166 HydrophobicContact CG-CD2 4.06Å; L162-F166 HydrophobicContact CG-CE2 3.77Å; L162-F166 VanDerWaalsContact O-CD2 3.29Å; L162-F166 WeakPolarHBondContact O-CD2 3.47Å; L162-F166 PolarHBondContact O-N 3.12Å; A163-F166 PolarHBondContact O-N 2.68Å; W164-F166 VanDerWaalsContact C-N 3.32Å; W164-F166 PolarHBondContact O-N 2.97Å; F166-R168 VanDerWaalsContact C-N 3.28Å; F166-R168 PolarHBondContact O-N 3.48Å; F166-R169 CarbonylContact O-C 3.59Å; F166-R169 WeakPolarHBondContact O-CA 3.28Å; F166-R169 PolarHBondContact O-N 3.03Å; F166-G170 PolarHBondContact O-N 3.34Å; F166-F171 HydrophobicContact CB-CB 4.22Å; F166-F171 AromaticContact CD1-CD2 3.88Å; F166-F171 HydrophobicContact CD1-CD2 3.88Å; F166-F171 HydrophobicContact CD1-CE2 4.26Å; F166-F171 HydrophobicContact CD1-CG 4.26Å; F166-F171 WeakPolarHBondContact O-CB 3.39Å; F166-F171 WeakPolarHBondContact O-CD2 3.49Å; F166-F171 PolarHBondContact O-N 3.11Å; F166-F171 VanDerWaalsContact O-N 3.16Å; F166-C173 HydrophobicContact CB-CB 3.79Å; F166-L257 HydrophobicContact CE1-CD2 4.35Å; F166-L257 HydrophobicContact CZ-CD2 4.44Å; F166-T259 HydrophobicContact CE2-CG2 4.02Å; F166-T259 HydrophobicContact CZ-CG2 3.8Å
167A97.3Very high97.8Very high0 Ų014.4 Ų14.40%07%0.066CC..Hα-helixtrans-58.7-40.8177.300000111.8A163 W164 R169 G170 C173 L231 G235 R236 L237A163-A167 PolarHBondContact O-N 2.88Å; W164-A167 PolarHBondContact O-N 3.18Å; A167-R169 PolarHBondContact O-N 2.91Å; A167-G170 PolarHBondContact O-N 2.64Å; A167-C173 HydrophobicContact CB-CB 4.48Å; A167-L231 HydrophobicContact CB-CD2 3.89Å; A167-G235 WeakPolarHBondContact O-CA 3.16Å; A167-R236 WeakPolarHBondContact CB-O 3.12Å; A167-L237 HydrophobicContact CB-CB 3.75Å
168R95.8Very high97.6Very high76 Ų7621.3 Ų21.329%0.2879%0.093SC..Hα-helixtrans-58.4-32.5175.8-171.775.8178.9115.413.5112.5W164 F166 G170 S230 L231 N232W164-R168 HydrophobicContact CE3-CB 4.46Å; W164-R168 HydrophobicContact CH2-CB 4.46Å; W164-R168 HydrophobicContact CH2-CG 4.06Å; W164-R168 HydrophobicContact CZ2-CG 4.48Å; W164-R168 HydrophobicContact CZ3-CB 4.34Å; W164-R168 HydrophobicContact CZ3-CG 4.27Å; W164-R168 VanDerWaalsContact O-CB 3.27Å; W164-R168 WeakPolarHBondContact O-CB 3.42Å; W164-R168 PolarHBondContact O-N 3.25Å; F166-R168 VanDerWaalsContact C-N 3.28Å; F166-R168 PolarHBondContact O-N 3.48Å; R168-G170 VanDerWaalsContact C-N 3.27Å; R168-S230 PolarHBondContact NH1-O 2.99Å; R168-L231 HydrophobicContact CB-CD2 4.03Å; R168-N232 PolarHBondContact NH1-ND2 3Å; R168-N232 VanDerWaalsContact NH1-ND2 3.2Å; R168-N232 PolarHBondContact NH1-OD1 3.23Å; R168-N232 PolarHBondContact O-ND2 2.94Å
169R95.3Very high97.6Very high77 Ų7722.8 Ų22.829%0.29110%0.102SC..THydrogen-bonded Turntrans-85.76.6176.8-75.9166.9-176.575.3-5.4114.1I135 E139 R147 E165 F166 A167 F171I135-R169 VanDerWaalsContact CG2-CD 3.43Å; E139-R169 IonicContact OE1-NE 3.96Å; E139-R169 IonicContact OE2-NE 2.69Å; R147-R169 VanDerWaalsContact CD-O 3.23Å; R147-R169 WeakPolarHBondContact CD-O 3.43Å; E165-R169 PolarHBondContact O-N 3.35Å; E165-R169 PolarHBondContact O-NH1 2.95Å; E165-R169 IonicContact OE2-CZ 3.96Å; E165-R169 IonicContact OE2-NH1 3.37Å; E165-R169 PolarHBondContact OE2-NH1 3.42Å; E165-R169 IonicContact OE2-NH2 3.73Å; E165-R169 PolarHBondContact OE2-NH2 3.23Å; F166-R169 CarbonylContact O-C 3.59Å; F166-R169 WeakPolarHBondContact O-CA 3.28Å; F166-R169 PolarHBondContact O-N 3.03Å; A167-R169 PolarHBondContact O-N 2.91Å; R169-F171 HydrophobicContact CB-CD2 3.94Å; R169-F171 HydrophobicContact CB-CE2 4.06Å
170G96.1Very high97.4Very high11 Ų1123.3 Ų23.311%0.11310%0.104CC..THydrogen-bonded Turntrans93.23.4174.100000114.6R147 S148 F166 A167 R168R147-G170 CarbonylContact C-O 3.58Å; S148-G170 WeakPolarHBondContact CA-O 3.26Å; S148-G170 PolarHBondContact N-O 3.3Å; F166-G170 PolarHBondContact O-N 3.34Å; A167-G170 PolarHBondContact O-N 2.64Å; R168-G170 VanDerWaalsContact C-N 3.27Å
171F97.6Very high97.4Very high0 Ų023.9 Ų23.90%011%0.107CC..  trans-73.6157.1176.9-67.2-87000112A138 E139 F142 R147 I150 V152 F166 R169 C173 G235 R236A138-F171 HydrophobicContact CB-CZ 4.36Å; E139-F171 HydrophobicContact CG-CE2 4.45Å; F142-F171 HydrophobicContact CB-CE1 3.9Å; F142-F171 HydrophobicContact CB-CZ 4.18Å; F142-F171 AromaticContact CD2-CE1 3.95Å; F142-F171 HydrophobicContact CD2-CE1 3.95Å; F142-F171 HydrophobicContact CG-CE1 4.2Å; R147-F171 HydrophobicContact CB-CD1 4.2Å; R147-F171 HydrophobicContact CB-CE1 4.26Å; R147-F171 HydrophobicContact CB-CG 4.34Å; R147-F171 HydrophobicContact CB-CZ 4.47Å; R147-F171 HydrophobicContact CG-CD1 4.43Å; R147-F171 HydrophobicContact CG-CE1 3.98Å; R147-F171 HydrophobicContact CG-CE2 4.26Å; R147-F171 HydrophobicContact CG-CZ 3.9Å; R147-F171 WeakPolarHBondContact O-CA 3.34Å; I150-F171 HydrophobicContact CB-CD1 3.81Å; I150-F171 HydrophobicContact CB-CE1 4.07Å; I150-F171 HydrophobicContact CG2-CD1 3.83Å; I150-F171 HydrophobicContact CG2-CE1 3.88Å; V152-F171 HydrophobicContact CG2-CB 3.84Å; V152-F171 HydrophobicContact CG2-CD1 3.6Å; V152-F171 HydrophobicContact CG2-CE1 4.41Å; V152-F171 HydrophobicContact CG2-CG 3.91Å; F166-F171 HydrophobicContact CB-CB 4.22Å; F166-F171 AromaticContact CD1-CD2 3.88Å; F166-F171 HydrophobicContact CD1-CD2 3.88Å; F166-F171 HydrophobicContact CD1-CE2 4.26Å; F166-F171 HydrophobicContact CD1-CG 4.26Å; F166-F171 WeakPolarHBondContact O-CB 3.39Å; F166-F171 WeakPolarHBondContact O-CD2 3.49Å; F166-F171 PolarHBondContact O-N 3.11Å; F166-F171 VanDerWaalsContact O-N 3.16Å; R169-F171 HydrophobicContact CB-CD2 3.94Å; R169-F171 HydrophobicContact CB-CE2 4.06Å; F171-C173 PolarHBondContact O-N 3.44Å; F171-G235 VanDerWaalsContact O-CA 3.28Å; F171-G235 WeakPolarHBondContact O-CA 3.36Å; F171-R236 PolarHBondContact O-N 3.5Å
172D97.6Very high97.3Very high23 Ų2324.5 Ų24.512%0.12311%0.111CC..EExtended strand (participates in β ladder)trans-89.695.6165.8-174.612.1000108.5I150 R151 V152 R236I150-D172 PolarHBondContact O-N 3.24Å; I150-D172 VanDerWaalsContact O-N 3.11Å; R151-D172 CarbonylContact C-O 3.03Å; R151-D172 WeakPolarHBondContact CA-O 3.5Å; R151-D172 HydrophobicContact CG-CB 4.4Å; V152-D172 PolarHBondContact N-O 3.16Å; D172-R236 WeakPolarHBondContact OD1-CB 3.28Å; D172-R236 IonicContact OD1-NE 3.36Å; D172-R236 PolarHBondContact OD1-NE 3.15Å; D172-R236 IonicContact OD2-CZ 3.44Å; D172-R236 IonicContact OD2-NE 3.43Å; D172-R236 PolarHBondContact OD2-NE 3.31Å; D172-R236 IonicContact OD2-NH2 2.7Å; D172-R236 PolarHBondContact OD2-NH2 3.31Å
173C98.4Very high97.2Very high0 Ų024.7 Ų24.70%011%0.112CC..EExtended strand (participates in β ladder)trans-108.6136.4-170-163.20000112.3V152 A163 F166 A167 F171 R236 L237 S238V152-C173 HydrophobicContact CB-CB 4.45Å; V152-C173 CarbonylContact O-C 3.44Å; V152-C173 VanDerWaalsContact O-CA 3.31Å; V152-C173 WeakPolarHBondContact O-CA 3.5Å; A163-C173 VanDerWaalsContact CA-SG 3.53Å; F166-C173 HydrophobicContact CB-CB 3.79Å; A167-C173 HydrophobicContact CB-CB 4.48Å; F171-C173 PolarHBondContact O-N 3.44Å; C173-R236 PolarHBondContact N-O 2.77Å; C173-L237 WeakPolarHBondContact O-CA 3.33Å; C173-S238 PolarHBondContact O-N 2.93Å
174Q98.6Very high97.2Very high31 Ų3124.7 Ų24.715%0.14511%0.112CC..EExtended strand (participates in β ladder)trans-118.9126.1167.2-175.6161.786.100109.7V152 L153 V154 S238 T240 Y248 W255V152-Q174 PolarHBondContact O-N 3.43Å; L153-Q174 HydrophobicContact CD1-CB 4.38Å; L153-Q174 HydrophobicContact CD1-CG 4.46Å; V154-Q174 PolarHBondContact N-O 2.84Å; Q174-S238 CarbonylContact C-O 3.3Å; Q174-S238 VanDerWaalsContact CA-O 3.31Å; Q174-S238 WeakPolarHBondContact CA-O 3.47Å; Q174-S238 WeakPolarHBondContact CB-OG 3.5Å; Q174-S238 WeakPolarHBondContact CG-OG 3.37Å; Q174-S238 PolarHBondContact NE2-OG 3.18Å; Q174-S238 VanDerWaalsContact NE2-OG 3.08Å; Q174-T240 VanDerWaalsContact CD-CG2 3.44Å; Q174-T240 HydrophobicContact CG-CG2 4Å; Q174-Y248 PolarHBondContact OE1-OH 2.98Å; Q174-W255 HydrophobicContact CB-CH2 3.53Å; Q174-W255 HydrophobicContact CB-CZ3 3.96Å; Q174-W255 HydrophobicContact CG-CH2 4.22Å
175G98.7Very high97.2Very high0 Ų024.5 Ų24.50%011%0.111CC..EExtended strand (participates in β ladder)trans-92.7143.4166.300000110.6V154 S238 M239 T240V154-G175 WeakPolarHBondContact O-CA 3.34Å; G175-S238 PolarHBondContact N-O 3Å; G175-M239 CarbonylContact O-C 3.57Å; G175-M239 VanDerWaalsContact O-CA 3.28Å; G175-M239 WeakPolarHBondContact O-CA 3.43Å; G175-T240 PolarHBondContact O-N 3.2Å; G175-T240 PolarHBondContact O-OG1 3.41Å
176N98.6Very high97.1Very high3 Ų323.3 Ų23.32%0.01611%0.106CC..EExtended strand (participates in β ladder)trans-120.3131.9171165.4-111.8000110V154 G156 A157 T240 G242 Y248V154-N176 PolarHBondContact O-N 2.86Å; G156-N176 WeakPolarHBondContact CA-O 3.48Å; G156-N176 PolarHBondContact N-O 3.06Å; A157-N176 PolarHBondContact N-O 2.83Å; N176-T240 WeakPolarHBondContact CA-O 3.3Å; N176-T240 WeakPolarHBondContact CB-OG1 3.33Å; N176-T240 PolarHBondContact ND2-O 3.36Å; N176-G242 PolarHBondContact ND2-O 3.5Å; N176-Y248 HydrophobicContact CB-CE2 3.75Å
177E97.9Very high97Very high25 Ų2524.1 Ų24.112%0.11711%0.111CC..EExtended strand (participates in β ladder)trans-141.6139.6177.4174.556.4-117.600109.8G158 S179 M182 L183 T240 A241 G242G158-E177 VanDerWaalsContact CA-OE2 3.23Å; G158-E177 WeakPolarHBondContact CA-OE2 3.32Å; G158-E177 PolarHBondContact N-OE2 3.27Å; E177-S179 WeakPolarHBondContact OE1-CB 3.14Å; E177-S179 PolarHBondContact OE1-N 3.16Å; E177-M182 HydrophobicContact CG-CB 3.8Å; E177-L183 HydrophobicContact CB-CD2 3.86Å; E177-L183 HydrophobicContact CB-CG 4.13Å; E177-L183 HydrophobicContact CG-CD2 4.23Å; E177-L183 HydrophobicContact CG-CG 3.96Å; E177-T240 PolarHBondContact N-O 3.4Å; E177-T240 VanDerWaalsContact N-O 3.07Å; E177-A241 WeakPolarHBondContact O-CA 3.38Å; E177-G242 PolarHBondContact O-N 3.13Å; E177-G242 VanDerWaalsContact O-N 3.14Å
178Y95.4Very high97Very high150 Ų15024.6 Ų24.659%0.58811%0.113SC*.  trans-92-39-178.9168.8-99000111.7L180 D243Y178-L180 PolarHBondContact O-N 3.31Å; Y178-D243 HydrophobicContact CD2-CB 4.27Å
179S95.5Very high97.1Very high36 Ų3621 Ų2125%0.25210%0.099SC..  trans-73.2113.6-172.8-174.80000112E177 L181 M182 L183E177-S179 WeakPolarHBondContact OE1-CB 3.14Å; E177-S179 PolarHBondContact OE1-N 3.16Å; S179-L181 PolarHBondContact O-N 2.88Å; S179-L181 VanDerWaalsContact O-N 3.13Å; S179-M182 WeakPolarHBondContact O-CA 3.38Å; S179-M182 WeakPolarHBondContact O-CB 3.29Å; S179-M182 PolarHBondContact O-N 3.43Å; S179-L183 WeakPolarHBondContact O-CG 3.5Å; S179-L183 PolarHBondContact O-N 3.22Å
180L95.3Very high97.1Very high11 Ų1118.2 Ų18.26%0.0589%0.09CC..Hα-helixtrans-54.8-32.6172.7-74.4-175.7000113.3H15 Y16 A19 F84 Y178 M182 L183 F184H15-L180 WeakPolarHBondContact CD2-CD1 3.19Å; Y16-L180 HydrophobicContact CD2-CD1 3.83Å; Y16-L180 HydrophobicContact CD2-CD2 4Å; Y16-L180 HydrophobicContact CE2-CD2 4.18Å; Y16-L180 HydrophobicContact CG-CD1 4.39Å; A19-L180 HydrophobicContact CB-CB 3.78Å; A19-L180 HydrophobicContact CB-CD1 3.93Å; F84-L180 HydrophobicContact CE2-CD2 4.31Å; F84-L180 HydrophobicContact CZ-CD2 4.13Å; Y178-L180 PolarHBondContact O-N 3.31Å; L180-M182 VanDerWaalsContact C-N 3.33Å; L180-M182 PolarHBondContact O-N 3.07Å; L180-L183 HydrophobicContact CD2-CD1 3.96Å; L180-L183 PolarHBondContact O-N 3.24Å; L180-F184 HydrophobicContact CB-CE1 4.4Å; L180-F184 HydrophobicContact CB-CZ 4.41Å; L180-F184 HydrophobicContact CD2-CE1 4.29Å; L180-F184 WeakPolarHBondContact O-CB 3.42Å; L180-F184 VanDerWaalsContact O-CD1 3.29Å; L180-F184 WeakPolarHBondContact O-CD1 3.36Å; L180-F184 WeakPolarHBondContact O-CG 3.3Å; L180-F184 PolarHBondContact O-N 3.3Å
181L97.2Very high97Very high12 Ų1223.1 Ų23.16%0.06311%0.114CC..Hα-helixtrans-65.3-38.7177.1-52.1-177.2000111.8A19 T22 F23 K107 V111 S179 C185A19-L181 HydrophobicContact CB-CD2 4.14Å; T22-L181 HydrophobicContact CG2-CD2 4.29Å; F23-L181 HydrophobicContact CD2-CD2 3.96Å; F23-L181 HydrophobicContact CE2-CB 4.17Å; F23-L181 HydrophobicContact CE2-CD2 3.46Å; F23-L181 VanDerWaalsContact CE2-CD2 3.46Å; F23-L181 HydrophobicContact CE2-CG 4.4Å; F23-L181 HydrophobicContact CZ-CB 4.48Å; F23-L181 HydrophobicContact CZ-CD2 4.49Å; K107-L181 HydrophobicContact CB-CD1 3.85Å; K107-L181 HydrophobicContact CD-CD1 4.48Å; V111-L181 HydrophobicContact CG2-CB 3.84Å; V111-L181 HydrophobicContact CG2-CD1 4.38Å; S179-L181 PolarHBondContact O-N 2.88Å; S179-L181 VanDerWaalsContact O-N 3.13Å; L181-C185 PolarHBondContact O-SG 3.28Å
182M97.7Very high96.8Very high23 Ų2329.2 Ų29.211%0.11314%0.137CC..Hα-helixtrans-73.3-42.3175-60-56.6177.100110.8V111 Q114 L159 E177 S179 L180 F184 C185 S186V111-M182 HydrophobicContact CG2-CE 4.07Å; V111-M182 HydrophobicContact CG2-SD 4.1Å; Q114-M182 HydrophobicContact CB-CE 4.48Å; Q114-M182 HydrophobicContact CB-SD 4.21Å; Q114-M182 HydrophobicContact CG-CE 3.82Å; Q114-M182 HydrophobicContact CG-SD 4.13Å; L159-M182 HydrophobicContact CD1-CB 4.16Å; L159-M182 HydrophobicContact CD1-CG 4.35Å; L159-M182 HydrophobicContact CD1-SD 3.5Å; L159-M182 WeakPolarHBondContact CD1-SD 3.44Å; E177-M182 HydrophobicContact CG-CB 3.8Å; S179-M182 WeakPolarHBondContact O-CA 3.38Å; S179-M182 WeakPolarHBondContact O-CB 3.29Å; S179-M182 PolarHBondContact O-N 3.43Å; L180-M182 VanDerWaalsContact C-N 3.33Å; L180-M182 PolarHBondContact O-N 3.07Å; M182-F184 PolarHBondContact O-N 3.1Å; M182-C185 PolarHBondContact O-N 3.38Å; M182-S186 WeakPolarHBondContact O-CB 3.43Å; M182-S186 PolarHBondContact O-N 3.47Å
183L96.9Very high96.7Very high8 Ų828.3 Ų28.34%0.04213%0.132CC..Hα-helixtrans-60.3-41.8177.8-73.1162.9000112.6M83 F84 E177 S179 L180 C185 S186 N187 A241M83-L183 HydrophobicContact CE-CB 4.31Å; F84-L183 HydrophobicContact CZ-CD1 4.48Å; E177-L183 HydrophobicContact CB-CD2 3.86Å; E177-L183 HydrophobicContact CB-CG 4.13Å; E177-L183 HydrophobicContact CG-CD2 4.23Å; E177-L183 HydrophobicContact CG-CG 3.96Å; S179-L183 WeakPolarHBondContact O-CG 3.5Å; S179-L183 PolarHBondContact O-N 3.22Å; L180-L183 HydrophobicContact CD2-CD1 3.96Å; L180-L183 PolarHBondContact O-N 3.24Å; L183-C185 VanDerWaalsContact C-N 3.32Å; L183-C185 PolarHBondContact O-N 3.15Å; L183-S186 WeakPolarHBondContact O-CB 3.48Å; L183-S186 PolarHBondContact O-N 3.15Å; L183-N187 WeakPolarHBondContact O-CB 3.26Å; L183-N187 PolarHBondContact O-N 3.01Å; L183-A241 HydrophobicContact CD1-CB 3.45Å; L183-A241 VanDerWaalsContact CD1-CB 3.45Å; L183-A241 HydrophobicContact CD2-CB 4.21Å; L183-A241 HydrophobicContact CG-CB 4.48Å
184F97.1Very high96.5Very high0 Ų033.4 Ų33.40%016%0.159CC..Hα-helixtrans-60.3-44.5175.5-68.3-4.2000111.2Y16 A19 V20 F23 I76 I77 V80 M83 L180 M182 F188Y16-F184 HydrophobicContact CD1-CZ 4.16Å; Y16-F184 HydrophobicContact CD2-CE1 4.05Å; Y16-F184 AromaticContact CD2-CZ 4Å; Y16-F184 HydrophobicContact CD2-CZ 4Å; Y16-F184 HydrophobicContact CE1-CE1 4.15Å; Y16-F184 AromaticContact CE1-CZ 3.88Å; Y16-F184 HydrophobicContact CE1-CZ 3.88Å; Y16-F184 AromaticContact CE2-CE1 3.34Å; Y16-F184 HydrophobicContact CE2-CE1 3.34Å; Y16-F184 AromaticContact CE2-CZ 3.66Å; Y16-F184 HydrophobicContact CE2-CZ 3.66Å; Y16-F184 HydrophobicContact CG-CZ 4.23Å; Y16-F184 AromaticContact CZ-CE1 3.41Å; Y16-F184 VanDerWaalsContact CZ-CE1 3.41Å; Y16-F184 AromaticContact CZ-CZ 3.62Å; Y16-F184 WeakPolarHBondContact OH-CE1 3.46Å; A19-F184 HydrophobicContact CB-CE2 3.63Å; A19-F184 HydrophobicContact CB-CZ 3.87Å; V20-F184 HydrophobicContact CG2-CE2 3.76Å; V20-F184 HydrophobicContact CG2-CZ 4.03Å; F23-F184 HydrophobicContact CD2-CD2 4.08Å; F23-F184 HydrophobicContact CE2-CB 4.38Å; F23-F184 AromaticContact CE2-CD2 3.66Å; F23-F184 HydrophobicContact CE2-CD2 3.66Å; F23-F184 HydrophobicContact CE2-CE2 4.48Å; F23-F184 HydrophobicContact CE2-CG 4.46Å; F23-F184 HydrophobicContact CZ-CB 4.14Å; F23-F184 HydrophobicContact CZ-CD2 4.24Å; I76-F184 HydrophobicContact CG2-CB 3.92Å; I77-F184 HydrophobicContact CG2-CD2 3.94Å; V80-F184 HydrophobicContact CB-CD1 4.42Å; V80-F184 HydrophobicContact CB-CE1 4.36Å; V80-F184 HydrophobicContact CG1-CB 4.36Å; V80-F184 HydrophobicContact CG1-CD1 3.97Å; V80-F184 HydrophobicContact CG1-CD2 4.39Å; V80-F184 HydrophobicContact CG1-CE1 4.38Å; V80-F184 HydrophobicContact CG1-CG 3.99Å; M83-F184 HydrophobicContact CE-CD1 3.75Å; M83-F184 HydrophobicContact CE-CE1 3.89Å; M83-F184 HydrophobicContact SD-CD1 4.02Å; L180-F184 HydrophobicContact CB-CE1 4.4Å; L180-F184 HydrophobicContact CB-CZ 4.41Å; L180-F184 HydrophobicContact CD2-CE1 4.29Å; L180-F184 WeakPolarHBondContact O-CB 3.42Å; L180-F184 VanDerWaalsContact O-CD1 3.29Å; L180-F184 WeakPolarHBondContact O-CD1 3.36Å; L180-F184 WeakPolarHBondContact O-CG 3.3Å; L180-F184 PolarHBondContact O-N 3.3Å; M182-F184 PolarHBondContact O-N 3.1Å; F184-F188 WeakPolarHBondContact O-CB 3.34Å; F184-F188 PolarHBondContact O-N 3.19Å
185C97.3Very high96.3Very high0 Ų035.5 Ų35.50%017%0.174CC..Hα-helixtrans-67.3-41.1176.9-62.80000112V111 L159 L181 M182 L183 F188 V189V111-C185 HydrophobicContact CG1-CB 4.33Å; V111-C185 WeakPolarHBondContact CG1-SG 3.44Å; L159-C185 HydrophobicContact CD2-CB 4.01Å; L159-C185 HydrophobicContact CG-CB 3.96Å; L181-C185 PolarHBondContact O-SG 3.28Å; M182-C185 PolarHBondContact O-N 3.38Å; L183-C185 VanDerWaalsContact C-N 3.32Å; L183-C185 PolarHBondContact O-N 3.15Å; C185-F188 PolarHBondContact O-N 3.03Å; C185-V189 WeakPolarHBondContact O-CG2 3.39Å; C185-V189 PolarHBondContact O-N 2.94Å
186S97.2Very high96.2Very high3 Ų337.6 Ų37.62%0.02119%0.191CC..Hα-helixtrans-58.1-52176.3-171.90000110.7L159 M182 L183 F188 V189 L190L159-S186 PolarHBondContact O-OG 3.28Å; M182-S186 WeakPolarHBondContact O-CB 3.43Å; M182-S186 PolarHBondContact O-N 3.47Å; L183-S186 WeakPolarHBondContact O-CB 3.48Å; L183-S186 PolarHBondContact O-N 3.15Å; S186-F188 PolarHBondContact O-N 3.27Å; S186-V189 PolarHBondContact O-N 2.92Å; S186-L190 VanDerWaalsContact O-CB 3.3Å; S186-L190 WeakPolarHBondContact O-CB 3.49Å; S186-L190 VanDerWaalsContact O-CG 3.3Å; S186-L190 WeakPolarHBondContact O-CG 3.33Å; S186-L190 PolarHBondContact O-N 3.31Å; S186-L190 WeakPolarHBondContact OG-CD1 3.37Å
187N96Very high96.2Very high18 Ų1841.2 Ų41.210%0.09621%0.211CC..Hα-helixtrans-59.3-44.9176.4174.757.1000112.2M83 L183 V189 N191M83-N187 HydrophobicContact CG-CB 3.72Å; M83-N187 WeakPolarHBondContact CG-ND2 3.33Å; M83-N187 HydrophobicContact SD-CB 3.25Å; M83-N187 WeakPolarHBondContact SD-CB 3.36Å; M83-N187 VanDerWaalsContact SD-CG 3.52Å; L183-N187 WeakPolarHBondContact O-CB 3.26Å; L183-N187 PolarHBondContact O-N 3.01Å; N187-V189 PolarHBondContact O-N 3.48Å; N187-N191 VanDerWaalsContact O-CB 3.29Å; N187-N191 WeakPolarHBondContact O-CB 3.23Å; N187-N191 PolarHBondContact O-N 2.73Å; N187-N191 PolarHBondContact OD1-ND2 2.84Å
188F96.6Very high96.1Very high9 Ų942.5 Ų42.54%0.03923%0.226CC..Iπ-helixtrans-58.8-47.3177.1177.7-103.7000111.9S75 I76 F184 C185 S186 R192 C193 F199 F223S75-F188 VanDerWaalsContact O-CD2 3.26Å; S75-F188 WeakPolarHBondContact O-CD2 3.19Å; S75-F188 VanDerWaalsContact O-CE2 3.28Å; S75-F188 WeakPolarHBondContact O-CE2 3.16Å; I76-F188 HydrophobicContact CB-CB 4.26Å; I76-F188 HydrophobicContact CB-CG 4.22Å; I76-F188 HydrophobicContact CG1-CB 3.97Å; I76-F188 HydrophobicContact CG1-CD1 3.52Å; I76-F188 HydrophobicContact CG1-CD2 4.31Å; I76-F188 HydrophobicContact CG1-CE1 4.02Å; I76-F188 HydrophobicContact CG1-CG 3.66Å; I76-F188 HydrophobicContact CG2-CB 4.25Å; F184-F188 WeakPolarHBondContact O-CB 3.34Å; F184-F188 PolarHBondContact O-N 3.19Å; C185-F188 PolarHBondContact O-N 3.03Å; S186-F188 PolarHBondContact O-N 3.27Å; F188-R192 HydrophobicContact CD2-CB 3.91Å; F188-R192 HydrophobicContact CD2-CG 4.35Å; F188-R192 HydrophobicContact CE2-CB 4.27Å; F188-R192 CarbonylContact O-C 3.59Å; F188-R192 WeakPolarHBondContact O-CA 3.38Å; F188-R192 VanDerWaalsContact O-CB 3.26Å; F188-R192 WeakPolarHBondContact O-CB 3.5Å; F188-R192 PolarHBondContact O-N 3.08Å; F188-C193 PolarHBondContact O-N 3.34Å; F188-C193 PolarHBondContact O-SG 3.3Å; F188-C193 VanDerWaalsContact O-SG 3.41Å; F188-F199 HydrophobicContact CE1-CD1 4.43Å; F188-F199 HydrophobicContact CE1-CD2 4.15Å; F188-F199 HydrophobicContact CE1-CE1 4.29Å; F188-F199 HydrophobicContact CE1-CE2 4.01Å; F188-F199 HydrophobicContact CE1-CG 4.37Å; F188-F199 HydrophobicContact CE1-CZ 4.09Å; F188-F199 HydrophobicContact CE2-CZ 4.33Å; F188-F199 HydrophobicContact CZ-CD1 4.12Å; F188-F199 HydrophobicContact CZ-CD2 4.3Å; F188-F199 AromaticContact CZ-CE1 3.59Å; F188-F199 HydrophobicContact CZ-CE1 3.59Å; F188-F199 AromaticContact CZ-CE2 3.8Å; F188-F199 HydrophobicContact CZ-CE2 3.8Å; F188-F199 HydrophobicContact CZ-CG 4.46Å; F188-F199 AromaticContact CZ-CZ 3.42Å; F188-F199 HydrophobicContact CZ-CZ 3.42Å; F188-F199 VanDerWaalsContact CZ-CZ 3.42Å; F188-F223 HydrophobicContact CD1-CE2 4.43Å; F188-F223 HydrophobicContact CE1-CE2 4.09Å; F188-F223 HydrophobicContact CE1-CZ 4.33Å
189V97.3Very high96.3Very high0 Ų037.7 Ų37.70%021%0.208CC..Iπ-helixtrans-69.7-48.6-179.5179.70000111.4L115 W119 C185 S186 N187 C193 F223 P224 P228L115-V189 HydrophobicContact CD2-CG2 3.89Å; W119-V189 HydrophobicContact CB-CG1 4.48Å; W119-V189 HydrophobicContact CD2-CB 4.43Å; W119-V189 HydrophobicContact CD2-CG1 3.36Å; W119-V189 VanDerWaalsContact CE2-CG1 3.43Å; W119-V189 HydrophobicContact CE3-CG1 3.7Å; W119-V189 HydrophobicContact CG-CG1 3.72Å; W119-V189 HydrophobicContact CG-CG2 4.38Å; W119-V189 HydrophobicContact CH2-CG1 4.13Å; W119-V189 HydrophobicContact CZ2-CG1 3.84Å; W119-V189 HydrophobicContact CZ3-CG1 4.07Å; C185-V189 WeakPolarHBondContact O-CG2 3.39Å; C185-V189 PolarHBondContact O-N 2.94Å; S186-V189 PolarHBondContact O-N 2.92Å; N187-V189 PolarHBondContact O-N 3.48Å; V189-C193 WeakPolarHBondContact O-CB 3.26Å; V189-F223 HydrophobicContact CG2-CD2 4.25Å; V189-F223 HydrophobicContact CG2-CE2 4.11Å; V189-P224 HydrophobicContact CG1-CB 4.12Å; V189-P228 HydrophobicContact CG1-CB 4.44Å; V189-P228 HydrophobicContact CG1-CG 3.71Å; V189-P228 WeakPolarHBondContact O-CB 3.43Å; V189-P228 VanDerWaalsContact O-CG 3.29Å; V189-P228 WeakPolarHBondContact O-CG 3.48Å
190L95.8Very high96.4Very high19 Ų1939.1 Ų39.110%0.09922%0.215CC..Iπ-helixtrans-70.8-34.2-174.1-67.6175.5000113.4W119 W164 S186 L237 M239W119-L190 HydrophobicContact CH2-CD2 3.69Å; W119-L190 HydrophobicContact CZ2-CD2 3.59Å; W119-L190 HydrophobicContact CZ2-CG 4.32Å; W164-L190 HydrophobicContact CB-CD2 4.16Å; W164-L190 HydrophobicContact CG-CD2 4.29Å; S186-L190 VanDerWaalsContact O-CB 3.3Å; S186-L190 WeakPolarHBondContact O-CB 3.49Å; S186-L190 VanDerWaalsContact O-CG 3.3Å; S186-L190 WeakPolarHBondContact O-CG 3.33Å; S186-L190 PolarHBondContact O-N 3.31Å; S186-L190 WeakPolarHBondContact OG-CD1 3.37Å; L190-L237 HydrophobicContact CD1-CD2 4.13Å; L190-L237 HydrophobicContact CD2-CD2 3.81Å; L190-M239 HydrophobicContact CD1-CG 3.96Å; L190-M239 HydrophobicContact CD1-SD 4.3Å
191N94.1Very high96.6Very high115 Ų11538.6 Ų38.662%0.61521%0.212SC*.Iπ-helixtrans-116.8-16-169-57.9-46.6000114.4N187N187-N191 VanDerWaalsContact O-CB 3.29Å; N187-N191 WeakPolarHBondContact O-CB 3.23Å; N187-N191 PolarHBondContact O-N 2.73Å; N187-N191 PolarHBondContact OD1-ND2 2.84Å
192R93.7Very high96.7Very high127 Ų12738.5 Ų38.548%0.47921%0.212SC..Iπ-helixtrans-119.9-7.4-176.8-53-74.4-167.5159.4-4.4113.9G79 D82 F188G79-R192 PolarHBondContact O-NH2 2.9Å; D82-R192 IonicContact OD1-NH2 2.74Å; F188-R192 HydrophobicContact CD2-CB 3.91Å; F188-R192 HydrophobicContact CD2-CG 4.35Å; F188-R192 HydrophobicContact CE2-CB 4.27Å; F188-R192 CarbonylContact O-C 3.59Å; F188-R192 WeakPolarHBondContact O-CA 3.38Å; F188-R192 VanDerWaalsContact O-CB 3.26Å; F188-R192 WeakPolarHBondContact O-CB 3.5Å; F188-R192 PolarHBondContact O-N 3.08Å
193C95.2Very high96.7Very high4 Ų437.5 Ų37.53%0.02721%0.207CC..  trans-102.8126.4173.7-60.50000110.8F188 V189 F199 P224 P228F188-C193 PolarHBondContact O-N 3.34Å; F188-C193 PolarHBondContact O-SG 3.3Å; F188-C193 VanDerWaalsContact O-SG 3.41Å; V189-C193 WeakPolarHBondContact O-CB 3.26Å; C193-F199 HydrophobicContact CB-CE2 4.46Å; C193-F199 WeakPolarHBondContact SG-CE2 3.34Å; C193-P224 HydrophobicContact CB-CG 3.93Å; C193-P228 HydrophobicContact CB-CG 4.22Å; C193-P228 WeakPolarHBondContact O-CD 3.35Å
194D93.7Very high96.7Very high108 Ų10838 Ų3858%0.57821%0.208SC*.  trans-123.4-0.8179.165.42.5000113.4N227D194-N227 VanDerWaalsContact C-OD1 3.32Å; D194-N227 WeakPolarHBondContact CA-OD1 3.3Å; D194-N227 PolarHBondContact O-ND2 3.38Å; D194-N227 PolarHBondContact O-OD1 3.29Å
195T95Very high96.8Very high75 Ų7538 Ų3846%0.4621%0.208SC..SBendtrans-134.8128.6-171.6-59.80000109.4A198T195-A198 HydrophobicContact CG2-CB 4.35Å; T195-A198 WeakPolarHBondContact O-CB 3.43Å
196A97.1Very high96.8Very high43 Ų4340.1 Ų40.136%0.35522%0.218SC..THydrogen-bonded Turntrans-67.5143.2176.800000111.2A198 P224A196-A198 PolarHBondContact O-N 2.9Å; A196-P224 CarbonylContact C-O 3.53Å; A196-P224 WeakPolarHBondContact CA-O 3.46Å
197N98Very high96.8Very high80 Ų8042 Ų4243%0.42823%0.226SC..THydrogen-bonded Turntrans56.327.8-179.8-56-58.9000114.1F199 T222 P224N197-F199 VanDerWaalsContact C-N 3.35Å; N197-T222 PolarHBondContact OD1-OG1 3.07Å; N197-P224 PolarHBondContact N-O 3.37Å
198A97.2Very high96.8Very high52 Ų5244.7 Ų44.743%0.4324%0.235SC..  trans-71.8-26.5-177.300000113.7T195 A196 F223T195-A198 HydrophobicContact CG2-CB 4.35Å; T195-A198 WeakPolarHBondContact O-CB 3.43Å; A196-A198 PolarHBondContact O-N 2.9Å; A198-F223 PolarHBondContact N-O 3.41Å
199F98.3Very high96.7Very high49 Ų4947.7 Ų47.722%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-116.4147.6-175.9-60.9-82.7000111.5F188 C193 N197 T222 F223F188-F199 HydrophobicContact CE1-CD1 4.43Å; F188-F199 HydrophobicContact CE1-CD2 4.15Å; F188-F199 HydrophobicContact CE1-CE1 4.29Å; F188-F199 HydrophobicContact CE1-CE2 4.01Å; F188-F199 HydrophobicContact CE1-CG 4.37Å; F188-F199 HydrophobicContact CE1-CZ 4.09Å; F188-F199 HydrophobicContact CE2-CZ 4.33Å; F188-F199 HydrophobicContact CZ-CD1 4.12Å; F188-F199 HydrophobicContact CZ-CD2 4.3Å; F188-F199 AromaticContact CZ-CE1 3.59Å; F188-F199 HydrophobicContact CZ-CE1 3.59Å; F188-F199 AromaticContact CZ-CE2 3.8Å; F188-F199 HydrophobicContact CZ-CE2 3.8Å; F188-F199 HydrophobicContact CZ-CG 4.46Å; F188-F199 AromaticContact CZ-CZ 3.42Å; F188-F199 HydrophobicContact CZ-CZ 3.42Å; F188-F199 VanDerWaalsContact CZ-CZ 3.42Å; C193-F199 HydrophobicContact CB-CE2 4.46Å; C193-F199 WeakPolarHBondContact SG-CE2 3.34Å; N197-F199 VanDerWaalsContact C-N 3.35Å; F199-T222 CarbonylContact O-C 3.52Å; F199-T222 WeakPolarHBondContact O-CA 3.45Å; F199-F223 HydrophobicContact CB-CD1 3.9Å; F199-F223 HydrophobicContact CB-CD2 4.44Å; F199-F223 HydrophobicContact CB-CE1 3.45Å; F199-F223 VanDerWaalsContact CB-CE1 3.45Å; F199-F223 HydrophobicContact CB-CE2 4.06Å; F199-F223 HydrophobicContact CB-CG 4.37Å; F199-F223 HydrophobicContact CB-CZ 3.55Å; F199-F223 HydrophobicContact CD2-CE2 4.32Å; F199-F223 HydrophobicContact CG-CE1 4.47Å; F199-F223 HydrophobicContact CG-CE2 4.36Å; F199-F223 HydrophobicContact CG-CZ 4.1Å; F199-F223 PolarHBondContact N-O 2.88Å; F199-F223 PolarHBondContact O-N 3.28Å
200V98.6Very high96.7Very high66 Ų6650.5 Ų50.540%0.427%0.272SS..EExtended strand (participates in β ladder)trans-124.9124.1-179.6-169.50000109.6V72 V221 T222V72-V200 WeakPolarHBondContact CG2-O 3.29Å; V200-V221 WeakPolarHBondContact CA-O 3.4Å; V200-T222 HydrophobicContact CG2-CG2 4.14Å
201I98.7Very high96.8Very high0 Ų051.1 Ų51.10%028%0.275CS..EExtended strand (participates in β ladder)trans-124164.1175.152167.2000111.2N69 V72 L112 L115 V116 P203 S220 V221 F223N69-I201 WeakPolarHBondContact OD1-CA 3.49Å; V72-I201 HydrophobicContact CB-CG2 4Å; V72-I201 HydrophobicContact CG1-CG2 3.85Å; V72-I201 HydrophobicContact CG2-CG2 3.98Å; L112-I201 HydrophobicContact CD2-CG2 4.23Å; L115-I201 HydrophobicContact CB-CD1 3.96Å; L115-I201 HydrophobicContact CD1-CD1 4.26Å; V116-I201 HydrophobicContact CG2-CD1 4.29Å; I201-P203 HydrophobicContact CD1-CB 4.47Å; I201-S220 CarbonylContact O-C 3.37Å; I201-S220 VanDerWaalsContact O-CA 3.25Å; I201-S220 WeakPolarHBondContact O-CA 3.17Å; I201-V221 HydrophobicContact CG1-CB 4.39Å; I201-V221 PolarHBondContact N-O 3.36Å; I201-V221 PolarHBondContact O-N 2.87Å; I201-F223 HydrophobicContact CB-CE1 4.45Å; I201-F223 HydrophobicContact CD1-CD1 4.13Å; I201-F223 HydrophobicContact CD1-CE1 4.2Å; I201-F223 HydrophobicContact CG1-CD1 3.99Å; I201-F223 HydrophobicContact CG1-CE1 4.06Å; I201-F223 HydrophobicContact CG2-CD1 4.47Å; I201-F223 HydrophobicContact CG2-CE1 3.69Å
202H98.7Very high96.9Very high10 Ų1051.8 Ų51.85%0.04628%0.277CS..  trans-122.579.8175.1-63.8-89.7000108.6C65 K68 N69 W204 I205 V218C65-H202 HydrophobicContact CB-CB 3.76Å; K68-H202 VanDerWaalsContact CD-NE2 3.27Å; K68-H202 WeakPolarHBondContact CD-NE2 3.33Å; N69-H202 PolarHBondContact ND2-O 2.56Å; N69-H202 PolarHBondContact OD1-N 3.34Å; H202-W204 VanDerWaalsContact C-N 3.28Å; H202-W204 PolarHBondContact O-N 2.99Å; H202-I205 HydrophobicContact CB-CG2 3.64Å; H202-I205 WeakPolarHBondContact O-CG1 3.45Å; H202-V218 PolarHBondContact CE1-O 2.96Å; H202-V218 PolarHBondContact ND1-O 2.81Å
203P98.3Very high97Very high1 Ų148.6 Ų48.61%0.00627%0.271CS..THydrogen-bonded Turntrans-70.3-21.2-166.227.2-35.5000113.8L112 V116 I201 V221L112-P203 HydrophobicContact CB-CB 4.41Å; V116-P203 HydrophobicContact CG2-CB 3.73Å; V116-P203 HydrophobicContact CG2-CG 3.59Å; I201-P203 HydrophobicContact CD1-CB 4.47Å; P203-V221 HydrophobicContact CG-CB 4.33Å; P203-V221 HydrophobicContact CG-CG2 3.88Å
204W98.1Very high97.1Very high20 Ų2053 Ų538%0.07629%0.288CS..THydrogen-bonded Turntrans-96.9-1.9-170.4-45.5125000114.6R113 V116 H202 H206 Q207 Q217 Q337 N338R113-W204 HydrophobicContact CB-CZ3 4.29Å; R113-W204 VanDerWaalsContact CD-CZ3 3.44Å; R113-W204 HydrophobicContact CG-CE3 4.02Å; R113-W204 HydrophobicContact CG-CH2 4.2Å; R113-W204 HydrophobicContact CG-CZ3 3.5Å; V116-W204 HydrophobicContact CG1-CZ2 4.4Å; V116-W204 HydrophobicContact CG2-CZ2 4.5Å; H202-W204 VanDerWaalsContact C-N 3.28Å; H202-W204 PolarHBondContact O-N 2.99Å; W204-H206 PolarHBondContact O-N 2.74Å; W204-H206 VanDerWaalsContact O-N 3.09Å; W204-Q207 VanDerWaalsContact O-CB 3.29Å; W204-Q207 WeakPolarHBondContact O-CB 3.22Å; W204-Q207 PolarHBondContact O-N 3.03Å; W204-Q217 CarbonylContact C-O 3.59Å; W204-Q337 WeakPolarHBondContact CH2-O 3.41Å; W204-N338 HydrophobicContact CD2-CB 3.76Å; W204-N338 HydrophobicContact CE3-CB 3.56Å; W204-N338 HydrophobicContact CG-CB 4.42Å; W204-N338 HydrophobicContact CH2-CB 4.07Å; W204-N338 HydrophobicContact CZ2-CB 4.27Å; W204-N338 HydrophobicContact CZ3-CB 3.68Å
205I98.3Very high97.3Very high0 Ų051.6 Ų51.60%029%0.287CS..THydrogen-bonded Turntrans-63.7-24.3-170.262.5178.9000114.3V62 C65 I66 N69 H202 Q207 Q217V62-I205 HydrophobicContact CG1-CB 4.22Å; C65-I205 HydrophobicContact CB-CD1 4.03Å; C65-I205 HydrophobicContact CB-CG2 3.69Å; I66-I205 HydrophobicContact CB-CD1 4.45Å; I66-I205 HydrophobicContact CG1-CD1 3.71Å; N69-I205 VanDerWaalsContact ND2-CD1 3.34Å; N69-I205 WeakPolarHBondContact ND2-CD1 3.48Å; H202-I205 HydrophobicContact CB-CG2 3.64Å; H202-I205 WeakPolarHBondContact O-CG1 3.45Å; I205-Q207 VanDerWaalsContact C-N 3.34Å; I205-Q217 WeakPolarHBondContact CA-O 3.5Å; I205-Q217 WeakPolarHBondContact CG2-O 3.4Å; I205-Q217 PolarHBondContact N-O 2.8Å; I205-Q217 PolarHBondContact O-NE2 3.07Å
206H97.6Very high97.4Very high43 Ų4349.6 Ų49.620%0.19927%0.273CS..THydrogen-bonded Turntrans-83.5-11.3177.3-60.7-65000113.2Y26 S30 P109 W204 W208Y26-H206 AromaticContact CE2-NE2 3.45Å; Y26-H206 WeakPolarHBondContact CE2-NE2 3.16Å; Y26-H206 AromaticContact CZ-NE2 3.54Å; Y26-H206 PolarHBondContact OH-NE2 3.23Å; S30-H206 PolarHBondContact OG-CE1 2.99Å; P109-H206 HydrophobicContact CB-CB 4.2Å; P109-H206 HydrophobicContact CG-CB 4.18Å; W204-H206 PolarHBondContact O-N 2.74Å; W204-H206 VanDerWaalsContact O-N 3.09Å; H206-W208 PolarHBondContact O-N 3.26Å
207Q96.3Very high97.4Very high44 Ų4447.8 Ų47.821%0.20626%0.257CS..  trans-82.399.4175.4-171.5-173.1-39.500109.2W204 I205 S209 N211 Q217 N338 S341W204-Q207 VanDerWaalsContact O-CB 3.29Å; W204-Q207 WeakPolarHBondContact O-CB 3.22Å; W204-Q207 PolarHBondContact O-N 3.03Å; I205-Q207 VanDerWaalsContact C-N 3.34Å; Q207-S209 WeakPolarHBondContact CG-O 3.41Å; Q207-S209 PolarHBondContact NE2-O 3.3Å; Q207-N211 PolarHBondContact O-ND2 3.28Å; Q207-Q217 PolarHBondContact O-NE2 3.12Å; Q207-N338 PolarHBondContact OE1-ND2 3.34Å; Q207-S341 PolarHBondContact NE2-OG 2.95Å
208W95.9Very high97.5Very high74 Ų7445.4 Ų45.428%0.2825%0.246SC..  trans-90.1-9.6-177.4-67.799.4000114.8T33 I34 K37 L59 V62 H206T33-W208 HydrophobicContact CG2-CZ2 4.47Å; I34-W208 HydrophobicContact CD1-CH2 3.74Å; I34-W208 HydrophobicContact CD1-CZ2 3.72Å; K37-W208 HydrophobicContact CD-CD2 3.93Å; K37-W208 HydrophobicContact CD-CE3 3.87Å; K37-W208 HydrophobicContact CD-CH2 3.42Å; K37-W208 VanDerWaalsContact CD-CH2 3.42Å; K37-W208 HydrophobicContact CD-CZ2 3.5Å; K37-W208 VanDerWaalsContact CD-CZ2 3.5Å; K37-W208 HydrophobicContact CD-CZ3 3.62Å; K37-W208 VanDerWaalsContact CE-CZ2 3.49Å; K37-W208 VanDerWaalsContact NZ-CG 3.27Å; L59-W208 HydrophobicContact CD2-CH2 3.91Å; L59-W208 HydrophobicContact CD2-CZ3 3.98Å; V62-W208 HydrophobicContact CB-CH2 4.37Å; V62-W208 HydrophobicContact CG1-CH2 3.94Å; V62-W208 HydrophobicContact CG1-CZ2 4.07Å; V62-W208 HydrophobicContact CG2-CH2 4.2Å; H206-W208 PolarHBondContact O-N 3.26Å
209S96.1Very high97.5Very high71 Ų7144.8 Ų44.850%0.49724%0.24SC..SBendtrans-116.4162.3-179.855.80000110.9Q207 N211Q207-S209 WeakPolarHBondContact CG-O 3.41Å; Q207-S209 PolarHBondContact NE2-O 3.3Å; S209-N211 PolarHBondContact O-N 2.82Å
210N97.1Very high97.5Very high59 Ų5945.6 Ų45.632%0.31625%0.252SS..SBendtrans61.125.6175.4-55.7-50.5000114.4S341 M342 L343N210-S341 CarbonylContact O-C 3.53Å; N210-S341 VanDerWaalsContact O-CA 3.32Å; N210-S341 WeakPolarHBondContact O-CA 3.47Å; N210-S341 PolarHBondContact O-OG 3.01Å; N210-M342 HydrophobicContact CB-CB 3.92Å; N210-M342 PolarHBondContact O-N 3.29Å; N210-L343 HydrophobicContact CB-CB 3.93Å; N210-L343 WeakPolarHBondContact ND2-CB 3.38Å
211N96.6Very high97.5Very high32 Ų3242.7 Ų42.717%0.17124%0.235CC..BIsolated β-bridgetrans-90.4128.8172.8-63.5-57.3000110.3Q207 S209Q207-N211 PolarHBondContact O-ND2 3.28Å; S209-N211 PolarHBondContact O-N 2.82Å
212M95.9Very high97.5Very high130 Ų13044.9 Ų44.964%0.6425%0.248SC*.SBendtrans-73.9-39.4172-72.8-62.5-65.200111.6M342M212-M342 HydrophobicContact CG-CG 3.87Å; M212-M342 HydrophobicContact SD-CG 3.49Å; M212-M342 WeakPolarHBondContact SD-CG 3.34Å; M212-M342 HydrophobicContact SD-SD 4.01Å
213T96.9Very high97.5Very high60 Ų6044.4 Ų44.437%0.36825%0.246SC..  trans-136.7158.8177.973.80000111.6S215 D216T213-S215 VanDerWaalsContact C-N 3.28Å; T213-S215 WeakPolarHBondContact CB-OG 3.41Å; T213-S215 PolarHBondContact O-N 3.01Å; T213-S215 PolarHBondContact OG1-N 3.46Å; T213-S215 PolarHBondContact OG1-OG 3.08Å; T213-D216 WeakPolarHBondContact CB-OD2 3.37Å; T213-D216 PolarHBondContact N-OD2 3.29Å; T213-D216 VanDerWaalsContact N-OD2 3.11Å; T213-D216 PolarHBondContact O-N 2.93Å; T213-D216 PolarHBondContact OG1-N 3.26Å; T213-D216 VanDerWaalsContact OG1-N 3.09Å; T213-D216 PolarHBondContact OG1-OD2 3.48Å
214Y97.5Very high97.5Very high95 Ų9544.3 Ų44.337%0.37325%0.246SC..Hα-helixtrans-64.3-33.9170.7-71.1-23.5000112.6K54 Y55 H58 D216 Q217 V218K54-Y214 HydrophobicContact CB-CD2 4.35Å; K54-Y214 HydrophobicContact CB-CE2 4.02Å; Y55-Y214 WeakPolarHBondContact CD2-OH 3.39Å; H58-Y214 HydrophobicContact CB-CD1 4.49Å; H58-Y214 HydrophobicContact CB-CD2 3.73Å; H58-Y214 HydrophobicContact CB-CE2 4.02Å; H58-Y214 HydrophobicContact CB-CG 4.02Å; H58-Y214 AromaticContact CD2-CD1 3.39Å; H58-Y214 WeakPolarHBondContact CD2-CD1 3.4Å; H58-Y214 AromaticContact CD2-CE1 3.68Å; H58-Y214 AromaticContact CD2-CG 3.71Å; H58-Y214 AromaticContact CE1-CD1 3.79Å; H58-Y214 AromaticContact CE1-CG 3.8Å; H58-Y214 AromaticContact CG-CD1 3.72Å; H58-Y214 AromaticContact CG-CD2 3.76Å; H58-Y214 AromaticContact CG-CG 3.5Å; H58-Y214 WeakPolarHBondContact ND1-CB 3.39Å; H58-Y214 AromaticContact ND1-CD1 4Å; H58-Y214 AromaticContact ND1-CG 3.61Å; H58-Y214 AromaticContact NE2-CD1 3.43Å; H58-Y214 WeakPolarHBondContact NE2-CD1 3.18Å; H58-Y214 AromaticContact NE2-CG 3.87Å; Y214-D216 VanDerWaalsContact C-N 3.29Å; Y214-D216 PolarHBondContact O-N 3.07Å; Y214-Q217 PolarHBondContact O-N 2.9Å; Y214-V218 WeakPolarHBondContact O-CG2 3.48Å; Y214-V218 PolarHBondContact O-N 3.11Å
215S97.7Very high97.5Very high80 Ų8045.1 Ų45.156%0.55925%0.251SS*.Hα-helixtrans-61.3-35175.234.30000112.8T213 V218 A219T213-S215 VanDerWaalsContact C-N 3.28Å; T213-S215 WeakPolarHBondContact CB-OG 3.41Å; T213-S215 PolarHBondContact O-N 3.01Å; T213-S215 PolarHBondContact OG1-N 3.46Å; T213-S215 PolarHBondContact OG1-OG 3.08Å; S215-V218 PolarHBondContact O-N 3.07Å; S215-A219 PolarHBondContact O-N 3.11Å
216D96.9Very high97.4Very high32 Ų3246.9 Ų46.917%0.17126%0.262CS..Hα-helixtrans-65.2-41.1176.2-63.9-48.8000111.6T213 Y214 V218 A219 S340T213-D216 WeakPolarHBondContact CB-OD2 3.37Å; T213-D216 PolarHBondContact N-OD2 3.29Å; T213-D216 VanDerWaalsContact N-OD2 3.11Å; T213-D216 PolarHBondContact O-N 2.93Å; T213-D216 PolarHBondContact OG1-N 3.26Å; T213-D216 VanDerWaalsContact OG1-N 3.09Å; T213-D216 PolarHBondContact OG1-OD2 3.48Å; Y214-D216 VanDerWaalsContact C-N 3.29Å; Y214-D216 PolarHBondContact O-N 3.07Å; D216-V218 VanDerWaalsContact C-N 3.33Å; D216-V218 PolarHBondContact O-N 3.42Å; D216-A219 WeakPolarHBondContact O-CB 3.43Å; D216-A219 PolarHBondContact O-N 2.75Å; D216-S340 VanDerWaalsContact CG-CB 3.44Å; D216-S340 VanDerWaalsContact OD1-CB 3.31Å; D216-S340 WeakPolarHBondContact OD1-CB 3.46Å; D216-S340 PolarHBondContact OD1-OG 3.15Å
217Q97.9Very high97.4Very high5 Ų547.2 Ų47.22%0.02327%0.265CS..Hα-helixtrans-66.1-35.5-180-173.3-178.22.400112.2H58 W204 I205 Q207 Y214H58-Q217 PolarHBondContact CE1-OE1 3.27Å; H58-Q217 PolarHBondContact NE2-OE1 3.3Å; W204-Q217 CarbonylContact C-O 3.59Å; I205-Q217 WeakPolarHBondContact CA-O 3.5Å; I205-Q217 WeakPolarHBondContact CG2-O 3.4Å; I205-Q217 PolarHBondContact N-O 2.8Å; I205-Q217 PolarHBondContact O-NE2 3.07Å; Q207-Q217 PolarHBondContact O-NE2 3.12Å; Y214-Q217 PolarHBondContact O-N 2.9Å
218V98.4Very high97.2Very high31 Ų3145.2 Ų45.219%0.18826%0.256CS..THydrogen-bonded Turntrans-999.1-179.6-57.60000113.2V62 H202 Y214 S215 D216 S220V62-V218 HydrophobicContact CG2-CG1 3.81Å; H202-V218 PolarHBondContact CE1-O 2.96Å; H202-V218 PolarHBondContact ND1-O 2.81Å; Y214-V218 WeakPolarHBondContact O-CG2 3.48Å; Y214-V218 PolarHBondContact O-N 3.11Å; S215-V218 PolarHBondContact O-N 3.07Å; D216-V218 VanDerWaalsContact C-N 3.33Å; D216-V218 PolarHBondContact O-N 3.42Å; V218-S220 PolarHBondContact O-N 3.18Å
219A98.1Very high97Very high38 Ų3844.9 Ų44.931%0.31427%0.269SS..  trans-56134.8178.800000110.5S215 D216S215-A219 PolarHBondContact O-N 3.11Å; D216-A219 WeakPolarHBondContact O-CB 3.43Å; D216-A219 PolarHBondContact O-N 2.75Å
220S98.3Very high96.7Very high67 Ų6743.3 Ų43.347%0.46926%0.258SS..  trans-89148.4175.556.20000110.9I201 V218I201-S220 CarbonylContact O-C 3.37Å; I201-S220 VanDerWaalsContact O-CA 3.25Å; I201-S220 WeakPolarHBondContact O-CA 3.17Å; V218-S220 PolarHBondContact O-N 3.18Å
221V98.6Very high96.2Very high5 Ų543.4 Ų43.43%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-128140.2173.1172.30000108.6V116 A120 E122 V200 I201 P203V116-V221 HydrophobicContact CG1-CG1 4.3Å; V116-V221 HydrophobicContact CG2-CB 4.41Å; V116-V221 HydrophobicContact CG2-CG1 4.08Å; V116-V221 HydrophobicContact CG2-CG2 4.4Å; A120-V221 HydrophobicContact CB-CG1 3.3Å; E122-V221 HydrophobicContact CG-CG2 4.44Å; E122-V221 WeakPolarHBondContact OE2-CG1 3.45Å; V200-V221 WeakPolarHBondContact CA-O 3.4Å; I201-V221 HydrophobicContact CG1-CB 4.39Å; I201-V221 PolarHBondContact N-O 3.36Å; I201-V221 PolarHBondContact O-N 2.87Å; P203-V221 HydrophobicContact CG-CB 4.33Å; P203-V221 HydrophobicContact CG-CG2 3.88Å
222T98.7Very high95.3Very high45 Ų4545.9 Ų45.928%0.27627%0.272SS..EExtended strand (participates in β ladder)trans-101.6146.8176580000112.2A120 N197 F199 V200A120-T222 WeakPolarHBondContact CB-O 3.33Å; N197-T222 PolarHBondContact OD1-OG1 3.07Å; F199-T222 CarbonylContact O-C 3.52Å; F199-T222 WeakPolarHBondContact O-CA 3.45Å; V200-T222 HydrophobicContact CG2-CG2 4.14Å
223F98.7Very high94.3Very high0 Ų046.2 Ų46.20%029%0.287CS..EExtended strand (participates in β ladder)trans-151.5161.5175.276.4-84.5000111V72 L115 W119 F188 V189 A198 F199 I201V72-F223 HydrophobicContact CG1-CE1 3.93Å; V72-F223 HydrophobicContact CG1-CZ 3.61Å; L115-F223 HydrophobicContact CD1-CE1 4.37Å; L115-F223 HydrophobicContact CD1-CZ 4.12Å; L115-F223 HydrophobicContact CD2-CD2 3.89Å; L115-F223 HydrophobicContact CD2-CE2 3.67Å; L115-F223 HydrophobicContact CD2-CZ 4.09Å; W119-F223 HydrophobicContact CB-CB 4.34Å; W119-F223 WeakPolarHBondContact O-CB 3.43Å; F188-F223 HydrophobicContact CD1-CE2 4.43Å; F188-F223 HydrophobicContact CE1-CE2 4.09Å; F188-F223 HydrophobicContact CE1-CZ 4.33Å; V189-F223 HydrophobicContact CG2-CD2 4.25Å; V189-F223 HydrophobicContact CG2-CE2 4.11Å; A198-F223 PolarHBondContact N-O 3.41Å; F199-F223 HydrophobicContact CB-CD1 3.9Å; F199-F223 HydrophobicContact CB-CD2 4.44Å; F199-F223 HydrophobicContact CB-CE1 3.45Å; F199-F223 VanDerWaalsContact CB-CE1 3.45Å; F199-F223 HydrophobicContact CB-CE2 4.06Å; F199-F223 HydrophobicContact CB-CG 4.37Å; F199-F223 HydrophobicContact CB-CZ 3.55Å; F199-F223 HydrophobicContact CD2-CE2 4.32Å; F199-F223 HydrophobicContact CG-CE1 4.47Å; F199-F223 HydrophobicContact CG-CE2 4.36Å; F199-F223 HydrophobicContact CG-CZ 4.1Å; F199-F223 PolarHBondContact N-O 2.88Å; F199-F223 PolarHBondContact O-N 3.28Å; I201-F223 HydrophobicContact CB-CE1 4.45Å; I201-F223 HydrophobicContact CD1-CD1 4.13Å; I201-F223 HydrophobicContact CD1-CE1 4.2Å; I201-F223 HydrophobicContact CG1-CD1 3.99Å; I201-F223 HydrophobicContact CG1-CE1 4.06Å; I201-F223 HydrophobicContact CG2-CD1 4.47Å; I201-F223 HydrophobicContact CG2-CE1 3.69Å
224P98.3Very high93.6Very high0 Ų045.3 Ų45.30%029%0.289CS..  cis-72.6148-12.732.8-35.7000111.9W119 V189 C193 A196 N197 V226 P228W119-P224 HydrophobicContact CB-CB 4.27Å; W119-P224 HydrophobicContact CE3-CB 3.94Å; W119-P224 CarbonylContact O-C 3.48Å; W119-P224 VanDerWaalsContact O-C 3.31Å; W119-P224 WeakPolarHBondContact O-CA 3.5Å; V189-P224 HydrophobicContact CG1-CB 4.12Å; C193-P224 HydrophobicContact CB-CG 3.93Å; A196-P224 CarbonylContact C-O 3.53Å; A196-P224 WeakPolarHBondContact CA-O 3.46Å; N197-P224 PolarHBondContact N-O 3.37Å; P224-V226 VanDerWaalsContact CB-O 3.29Å; P224-V226 WeakPolarHBondContact CB-O 3.42Å; P224-V226 WeakPolarHBondContact CG-O 3.49Å; P224-V226 PolarHBondContact O-N 3.49Å; P224-P228 HydrophobicContact CB-CG 3.94Å; P224-P228 HydrophobicContact CG-CG 3.76Å
225D98.2Very high93.2Very high37 Ų3741.5 Ų41.520%0.19828%0.279CS..SBendtrans-72.9-13.7-18065.8-28.2000113.6W119 A121 R127 R161W119-D225 PolarHBondContact O-N 2.98Å; A121-D225 HydrophobicContact CB-CB 4.4Å; R127-D225 IonicContact CZ-OD2 3.87Å; R127-D225 IonicContact NH1-OD2 3.45Å; R127-D225 IonicContact NH2-OD2 3.46Å; R127-D225 PolarHBondContact NH2-OD2 3.28Å; R161-D225 IonicContact CZ-OD1 2.72Å; R161-D225 IonicContact NH1-OD1 3.76Å; R161-D225 PolarHBondContact NH1-OD1 3.12Å; R161-D225 IonicContact NH1-OD2 3.27Å; R161-D225 IonicContact NH2-OD1 3.6Å; R161-D225 IonicContact NH2-OD2 2.67Å
226V96.8Very high93.1Very high37 Ų3745 Ų4522%0.22428%0.28CS..SBendtrans-133154.8172.164.30000108.8W119 W164 P224 P228W119-V226 HydrophobicContact CE3-CG1 4.39Å; W119-V226 HydrophobicContact CZ3-CG1 4.07Å; W164-V226 HydrophobicContact CH2-CB 4.37Å; W164-V226 HydrophobicContact CH2-CG1 3.72Å; W164-V226 HydrophobicContact CH2-CG2 3.74Å; W164-V226 HydrophobicContact CZ2-CG1 4.19Å; W164-V226 HydrophobicContact CZ2-CG2 4.26Å; W164-V226 HydrophobicContact CZ3-CG1 4.01Å; P224-V226 VanDerWaalsContact CB-O 3.29Å; P224-V226 WeakPolarHBondContact CB-O 3.42Å; P224-V226 WeakPolarHBondContact CG-O 3.49Å; P224-V226 PolarHBondContact O-N 3.49Å; V226-P228 WeakPolarHBondContact O-CD 3.38Å
227N95.7Very high93.1Very high49 Ų4945.8 Ų45.826%0.26228%0.284SS..  trans-70.8112.5170.7178.5-0.6000110D194 A229 S230D194-N227 VanDerWaalsContact C-OD1 3.32Å; D194-N227 WeakPolarHBondContact CA-OD1 3.3Å; D194-N227 PolarHBondContact O-ND2 3.38Å; D194-N227 PolarHBondContact O-OD1 3.29Å; N227-A229 VanDerWaalsContact C-N 3.26Å; N227-A229 PolarHBondContact O-N 3.35Å; N227-A229 WeakPolarHBondContact OD1-CB 3.4Å; N227-A229 PolarHBondContact OD1-N 2.93Å; N227-S230 VanDerWaalsContact O-CB 3.27Å; N227-S230 WeakPolarHBondContact O-CB 3.48Å; N227-S230 PolarHBondContact O-N 3.45Å; N227-S230 VanDerWaalsContact O-N 3.08Å; N227-S230 PolarHBondContact O-OG 3.08Å
228P93.7Very high93Very high2 Ų247.6 Ų47.61%0.01330%0.297CS..G310 helixtrans-64.9-29.9-179.8-21.637.3000112.6W119 W164 V189 C193 P224 V226 S230W119-P228 HydrophobicContact CE3-CG 4.32Å; W119-P228 HydrophobicContact CH2-CB 4.17Å; W119-P228 HydrophobicContact CH2-CG 4.33Å; W119-P228 HydrophobicContact CZ3-CB 4.1Å; W119-P228 HydrophobicContact CZ3-CG 3.84Å; W164-P228 PolarHBondContact NE1-O 3.45Å; V189-P228 HydrophobicContact CG1-CB 4.44Å; V189-P228 HydrophobicContact CG1-CG 3.71Å; V189-P228 WeakPolarHBondContact O-CB 3.43Å; V189-P228 VanDerWaalsContact O-CG 3.29Å; V189-P228 WeakPolarHBondContact O-CG 3.48Å; C193-P228 HydrophobicContact CB-CG 4.22Å; C193-P228 WeakPolarHBondContact O-CD 3.35Å; P224-P228 HydrophobicContact CB-CG 3.94Å; P224-P228 HydrophobicContact CG-CG 3.76Å; V226-P228 WeakPolarHBondContact O-CD 3.38Å; P228-S230 PolarHBondContact O-N 2.98Å; P228-S230 VanDerWaalsContact O-N 3.16Å
229A90.9Very high93Very high68 Ų6848.8 Ų48.856%0.56230%0.301SS*.G310 helixtrans-71.4-4.2175.700000113.7N227 L231N227-A229 VanDerWaalsContact C-N 3.26Å; N227-A229 PolarHBondContact O-N 3.35Å; N227-A229 WeakPolarHBondContact OD1-CB 3.4Å; N227-A229 PolarHBondContact OD1-N 2.93Å; A229-L231 PolarHBondContact O-N 2.93Å
230S89.8Confident92.9Very high38 Ų3848.4 Ų48.427%0.26630%0.295SS..G310 helixtrans-80.419.418072.10000114.5R168 N227 P228 N232R168-S230 PolarHBondContact NH1-O 2.99Å; N227-S230 VanDerWaalsContact O-CB 3.27Å; N227-S230 WeakPolarHBondContact O-CB 3.48Å; N227-S230 PolarHBondContact O-N 3.45Å; N227-S230 VanDerWaalsContact O-N 3.08Å; N227-S230 PolarHBondContact O-OG 3.08Å; P228-S230 PolarHBondContact O-N 2.98Å; P228-S230 VanDerWaalsContact O-N 3.16Å; S230-N232 PolarHBondContact O-N 3.38Å
231L86.9Confident92.7Very high61 Ų6146.8 Ų46.832%0.31929%0.286SS..  trans-57.1136.7177.4-74.7173.9000111.7W164 A167 R168 A229 L237W164-L231 HydrophobicContact CD2-CD2 4.26Å; W164-L231 HydrophobicContact CG-CD2 4.13Å; W164-L231 HydrophobicContact CZ2-CD2 4.49Å; A167-L231 HydrophobicContact CB-CD2 3.89Å; R168-L231 HydrophobicContact CB-CD2 4.03Å; A229-L231 PolarHBondContact O-N 2.93Å; L231-L237 HydrophobicContact CD1-CB 3.97Å; L231-L237 HydrophobicContact CD1-CD2 4.08Å
232N77.9Confident92.5Very high84 Ų8447.7 Ų47.745%0.44930%0.296SS..  trans-69.5147174.3-71.7-37.8000109.5R168 S230 G234 G235R168-N232 PolarHBondContact NH1-ND2 3Å; R168-N232 VanDerWaalsContact NH1-ND2 3.2Å; R168-N232 PolarHBondContact NH1-OD1 3.23Å; R168-N232 PolarHBondContact O-ND2 2.94Å; S230-N232 PolarHBondContact O-N 3.38Å; N232-G234 PolarHBondContact O-N 3.21Å; N232-G235 PolarHBondContact O-N 2.95Å
233S74.5Confident92.4Very high137 Ų13747.6 Ų47.696%0.95829%0.294SS*.THydrogen-bonded Turntrans-63.5-7177.861.70000114.9
234G81.8Confident92.3Very high40 Ų4047.7 Ų47.741%0.41229%0.294SS..THydrogen-bonded Turntrans-81.4-29.4-179.500000114.2S148 N232S148-G234 WeakPolarHBondContact CB-O 3.3Å; N232-G234 PolarHBondContact O-N 3.21Å
235G89.5Confident92.3Very high16 Ų1649.9 Ų49.917%0.16531%0.305CS..  trans-105.5166.3-177.600000112.9A167 F171 N232A167-G235 WeakPolarHBondContact O-CA 3.16Å; F171-G235 VanDerWaalsContact O-CA 3.28Å; F171-G235 WeakPolarHBondContact O-CA 3.36Å; N232-G235 PolarHBondContact O-N 2.95Å
236R95.2Very high92.2Very high153 Ų15355.2 Ų55.258%0.57733%0.329SS*.EExtended strand (participates in β ladder)trans-126140.4174.2-66.5-170.6-67.3-147-4.3109.2A167 F171 D172 C173A167-R236 WeakPolarHBondContact CB-O 3.12Å; F171-R236 PolarHBondContact O-N 3.5Å; D172-R236 WeakPolarHBondContact OD1-CB 3.28Å; D172-R236 IonicContact OD1-NE 3.36Å; D172-R236 PolarHBondContact OD1-NE 3.15Å; D172-R236 IonicContact OD2-CZ 3.44Å; D172-R236 IonicContact OD2-NE 3.43Å; D172-R236 PolarHBondContact OD2-NE 3.31Å; D172-R236 IonicContact OD2-NH2 2.7Å; D172-R236 PolarHBondContact OD2-NH2 3.31Å; C173-R236 PolarHBondContact N-O 2.77Å
237L96.8Very high92.2Very high48 Ų4855.8 Ų55.825%0.25133%0.333SS..EExtended strand (participates in β ladder)trans-122.2130174.2179.258.8000108.4A163 W164 A167 C173 L190 L231A163-L237 HydrophobicContact CB-CD1 3.64Å; W164-L237 HydrophobicContact CB-CD2 4.1Å; W164-L237 HydrophobicContact CG-CD2 4.47Å; A167-L237 HydrophobicContact CB-CB 3.75Å; C173-L237 WeakPolarHBondContact O-CA 3.33Å; L190-L237 HydrophobicContact CD1-CD2 4.13Å; L190-L237 HydrophobicContact CD2-CD2 3.81Å; L231-L237 HydrophobicContact CD1-CB 3.97Å; L231-L237 HydrophobicContact CD1-CD2 4.08Å
238S96.8Very high92.3Very high43 Ų4353.5 Ų53.530%0.30132%0.32SS..EExtended strand (participates in β ladder)trans-134.6158.4167.161.90000110.1C173 Q174 G175C173-S238 PolarHBondContact O-N 2.93Å; Q174-S238 CarbonylContact C-O 3.3Å; Q174-S238 VanDerWaalsContact CA-O 3.31Å; Q174-S238 WeakPolarHBondContact CA-O 3.47Å; Q174-S238 WeakPolarHBondContact CB-OG 3.5Å; Q174-S238 WeakPolarHBondContact CG-OG 3.37Å; Q174-S238 PolarHBondContact NE2-OG 3.18Å; Q174-S238 VanDerWaalsContact NE2-OG 3.08Å; G175-S238 PolarHBondContact N-O 3Å
239M97.3Very high92.5Very high56 Ų5656.1 Ų56.128%0.27634%0.342SS..EExtended strand (participates in β ladder)trans-126.4139.4175.3-66.1-60-61.100109A157 A163 G175 L190A157-M239 HydrophobicContact CB-CE 3.76Å; A163-M239 HydrophobicContact CB-SD 4.5Å; G175-M239 CarbonylContact O-C 3.57Å; G175-M239 VanDerWaalsContact O-CA 3.28Å; G175-M239 WeakPolarHBondContact O-CA 3.43Å; L190-M239 HydrophobicContact CD1-CG 3.96Å; L190-M239 HydrophobicContact CD1-SD 4.3Å
240T96.3Very high92.7Very high30 Ų3064.6 Ų64.618%0.18436%0.36CS..EExtended strand (participates in β ladder)trans-118.5135.8171.753.30000109.9Q174 G175 N176 E177 Y248Q174-T240 VanDerWaalsContact CD-CG2 3.44Å; Q174-T240 HydrophobicContact CG-CG2 4Å; G175-T240 PolarHBondContact O-N 3.2Å; G175-T240 PolarHBondContact O-OG1 3.41Å; N176-T240 WeakPolarHBondContact CA-O 3.3Å; N176-T240 WeakPolarHBondContact CB-OG1 3.33Å; N176-T240 PolarHBondContact ND2-O 3.36Å; E177-T240 PolarHBondContact N-O 3.4Å; E177-T240 VanDerWaalsContact N-O 3.07Å; T240-Y248 PolarHBondContact OG1-OH 2.87Å
241A94.5Very high93.1Very high34 Ų3465.8 Ų65.828%0.28136%0.361SS..EExtended strand (participates in β ladder)trans-95.4145.6173.800000110.5F84 E177 L183 V247F84-A241 HydrophobicContact CE1-CB 3.46Å; F84-A241 VanDerWaalsContact CE1-CB 3.46Å; F84-A241 HydrophobicContact CZ-CB 3.61Å; E177-A241 WeakPolarHBondContact O-CA 3.38Å; L183-A241 HydrophobicContact CD1-CB 3.45Å; L183-A241 VanDerWaalsContact CD1-CB 3.45Å; L183-A241 HydrophobicContact CD2-CB 4.21Å; L183-A241 HydrophobicContact CG-CB 4.48Å; A241-V247 WeakPolarHBondContact O-CG2 3.42Å
242G93.9Very high93.6Very high23 Ų2366 Ų6624%0.23737%0.368CS..SBendtrans119.9173175.100000113.1N176 E177N176-G242 PolarHBondContact ND2-O 3.5Å; E177-G242 PolarHBondContact O-N 3.13Å; E177-G242 VanDerWaalsContact O-N 3.14Å
243D96.2Very high94.5Very high43 Ų4365.8 Ų65.823%0.2337%0.367CS..  trans-64.2140-179.7178.4-94.9000111.4Y178 L245 E246 V247Y178-D243 HydrophobicContact CD2-CB 4.27Å; D243-L245 VanDerWaalsContact C-N 3.35Å; D243-L245 PolarHBondContact O-N 3.24Å; D243-L245 WeakPolarHBondContact OD1-CA 3.36Å; D243-L245 VanDerWaalsContact OD1-CB 3.3Å; D243-L245 WeakPolarHBondContact OD1-CB 3.2Å; D243-L245 PolarHBondContact OD1-N 3.15Å; D243-E246 HydrophobicContact CB-CB 4.15Å; D243-E246 HydrophobicContact CB-CG 4.06Å; D243-E246 PolarHBondContact O-N 3Å; D243-E246 PolarHBondContact OD1-N 3.41Å; D243-V247 VanDerWaalsContact O-CB 3.3Å; D243-V247 WeakPolarHBondContact O-CB 3.47Å; D243-V247 WeakPolarHBondContact O-CG2 3.31Å; D243-V247 PolarHBondContact O-N 2.9Å
244F98.2Very high95.6Very high3 Ų360.3 Ų60.31%0.01333%0.328CS..Hα-helixtrans-61.4-41.4-176.6169.7-116.9000112.5L153 P155 Y248 F263 Y273 T276 I277 L280L153-F244 HydrophobicContact CD2-CE2 4.01Å; P155-F244 HydrophobicContact CB-CD2 3.74Å; P155-F244 HydrophobicContact CB-CE2 4.03Å; P155-F244 HydrophobicContact CB-CG 4.12Å; P155-F244 HydrophobicContact CG-CD2 3.77Å; P155-F244 HydrophobicContact CG-CE2 3.52Å; P155-F244 HydrophobicContact CG-CG 4.49Å; P155-F244 HydrophobicContact CG-CZ 4.04Å; F244-Y248 AromaticContact CD2-CD2 3.46Å; F244-Y248 HydrophobicContact CD2-CD2 3.46Å; F244-Y248 VanDerWaalsContact CD2-CD2 3.46Å; F244-Y248 AromaticContact CD2-CE2 3.86Å; F244-Y248 HydrophobicContact CD2-CE2 3.86Å; F244-Y248 HydrophobicContact CD2-CG 4.42Å; F244-Y248 AromaticContact CE2-CD2 3.77Å; F244-Y248 HydrophobicContact CE2-CD2 3.77Å; F244-Y248 HydrophobicContact CE2-CE2 4.29Å; F244-Y248 HydrophobicContact CE2-CG 4.35Å; F244-Y248 HydrophobicContact CG-CD2 4.49Å; F244-Y248 VanDerWaalsContact O-CD2 3.27Å; F244-Y248 WeakPolarHBondContact O-CD2 3.32Å; F244-Y248 PolarHBondContact O-N 2.86Å; F244-F263 HydrophobicContact CB-CE2 4.49Å; F244-F263 HydrophobicContact CB-CZ 3.72Å; F244-F263 AromaticContact CD1-CE1 3.9Å; F244-F263 HydrophobicContact CD1-CE1 3.9Å; F244-F263 AromaticContact CD1-CZ 3.77Å; F244-F263 HydrophobicContact CD1-CZ 3.77Å; F244-F263 HydrophobicContact CE1-CE1 4.25Å; F244-F263 HydrophobicContact CG-CE1 4.22Å; F244-F263 AromaticContact CG-CZ 3.75Å; F244-F263 HydrophobicContact CG-CZ 3.75Å; F244-Y273 HydrophobicContact CD1-CD1 4.04Å; F244-Y273 HydrophobicContact CD1-CE1 4.09Å; F244-Y273 HydrophobicContact CD1-CG 4.36Å; F244-Y273 HydrophobicContact CE1-CD1 4.43Å; F244-Y273 HydrophobicContact CE1-CG 4.44Å; F244-T276 HydrophobicContact CD1-CG2 4.31Å; F244-T276 HydrophobicContact CE1-CG2 3.55Å; F244-T276 HydrophobicContact CE2-CG2 4.29Å; F244-T276 HydrophobicContact CZ-CG2 3.53Å; F244-I277 HydrophobicContact CE1-CG1 4.15Å; F244-I277 HydrophobicContact CZ-CG1 3.86Å; F244-L280 HydrophobicContact CE2-CD1 3.82Å; F244-L280 HydrophobicContact CZ-CD1 3.91Å
245L97.8Very high96.4Very high45 Ų4558.5 Ų58.524%0.23631%0.309CS..Hα-helixtrans-69.7-40.8-178.9-61.8177.8000110.6D243 A249 D272 Y273 T276D243-L245 VanDerWaalsContact C-N 3.35Å; D243-L245 PolarHBondContact O-N 3.24Å; D243-L245 WeakPolarHBondContact OD1-CA 3.36Å; D243-L245 VanDerWaalsContact OD1-CB 3.3Å; D243-L245 WeakPolarHBondContact OD1-CB 3.2Å; D243-L245 PolarHBondContact OD1-N 3.15Å; L245-A249 WeakPolarHBondContact O-CA 3.35Å; L245-A249 WeakPolarHBondContact O-CB 3.44Å; L245-A249 PolarHBondContact O-N 3.49Å; L245-D272 HydrophobicContact CD1-CB 3.75Å; L245-D272 HydrophobicContact CD2-CB 4.13Å; L245-Y273 HydrophobicContact CD1-CD1 4.21Å; L245-Y273 HydrophobicContact CD1-CE1 4.12Å; L245-Y273 HydrophobicContact CD2-CD1 3.82Å; L245-Y273 HydrophobicContact CD2-CE1 4.22Å; L245-Y273 HydrophobicContact CG-CD1 4.06Å; L245-Y273 HydrophobicContact CG-CE1 3.97Å; L245-T276 HydrophobicContact CD2-CG2 3.97Å; L245-T276 WeakPolarHBondContact CD2-OG1 3.29Å
246E96.5Very high96.9Very high149 Ų14959 Ų5970%0.69631%0.308SS*.Hα-helixtrans-69.3-51.9-179.5-65.3177-18000112.5D243 Y248 A249D243-E246 HydrophobicContact CB-CB 4.15Å; D243-E246 HydrophobicContact CB-CG 4.06Å; D243-E246 PolarHBondContact O-N 3Å; D243-E246 PolarHBondContact OD1-N 3.41Å; E246-Y248 PolarHBondContact O-N 3.03Å; E246-A249 WeakPolarHBondContact O-CB 3.36Å; E246-A249 PolarHBondContact O-N 3.27Å
247V96.4Very high97.1Very high50 Ų5051.7 Ų51.730%0.30328%0.28SS..Hα-helixtrans-59.1-35.7-176.9170.70000111.3A241 D243A241-V247 WeakPolarHBondContact O-CG2 3.42Å; D243-V247 VanDerWaalsContact O-CB 3.3Å; D243-V247 WeakPolarHBondContact O-CB 3.47Å; D243-V247 WeakPolarHBondContact O-CG2 3.31Å; D243-V247 PolarHBondContact O-N 2.9Å
248Y98.1Very high97.2Very high0 Ų049.4 Ų49.40%027%0.268CS..THydrogen-bonded Turntrans-106.47.9-174.8-62.5-77.3000114.2L153 Q174 N176 T240 F244 E246 R250 Q251 W255 L280L153-Y248 HydrophobicContact CD1-CE1 3.91Å; L153-Y248 HydrophobicContact CD1-CE2 4.03Å; L153-Y248 VanDerWaalsContact CD1-CZ 3.42Å; L153-Y248 WeakPolarHBondContact CD1-OH 3.41Å; L153-Y248 HydrophobicContact CD2-CD1 4.16Å; L153-Y248 HydrophobicContact CD2-CD2 4.44Å; L153-Y248 HydrophobicContact CD2-CE1 3.93Å; L153-Y248 HydrophobicContact CD2-CE2 4.23Å; L153-Y248 HydrophobicContact CD2-CG 4.43Å; Q174-Y248 PolarHBondContact OE1-OH 2.98Å; N176-Y248 HydrophobicContact CB-CE2 3.75Å; T240-Y248 PolarHBondContact OG1-OH 2.87Å; F244-Y248 AromaticContact CD2-CD2 3.46Å; F244-Y248 HydrophobicContact CD2-CD2 3.46Å; F244-Y248 VanDerWaalsContact CD2-CD2 3.46Å; F244-Y248 AromaticContact CD2-CE2 3.86Å; F244-Y248 HydrophobicContact CD2-CE2 3.86Å; F244-Y248 HydrophobicContact CD2-CG 4.42Å; F244-Y248 AromaticContact CE2-CD2 3.77Å; F244-Y248 HydrophobicContact CE2-CD2 3.77Å; F244-Y248 HydrophobicContact CE2-CE2 4.29Å; F244-Y248 HydrophobicContact CE2-CG 4.35Å; F244-Y248 HydrophobicContact CG-CD2 4.49Å; F244-Y248 VanDerWaalsContact O-CD2 3.27Å; F244-Y248 WeakPolarHBondContact O-CD2 3.32Å; F244-Y248 PolarHBondContact O-N 2.86Å; E246-Y248 PolarHBondContact O-N 3.03Å; Y248-R250 PolarHBondContact O-N 3.19Å; Y248-R250 VanDerWaalsContact O-N 3.13Å; Y248-Q251 PolarHBondContact O-N 2.84Å; Y248-Q251 VanDerWaalsContact O-N 3.13Å; Y248-W255 AromaticContact CE1-CZ2 3.89Å; Y248-W255 HydrophobicContact CE1-CZ2 3.89Å; Y248-L280 HydrophobicContact CD1-CD1 4.35Å; Y248-L280 HydrophobicContact CD1-CD2 4.28Å; Y248-L280 HydrophobicContact CG-CD1 4.08Å; Y248-L280 HydrophobicContact CG-CD2 4.42Å
249A97Very high97.3Very high57 Ų5747.4 Ų47.447%0.47125%0.254SS..THydrogen-bonded Turntrans-54.4-36.8-174.600000114.1L245 E246L245-A249 WeakPolarHBondContact O-CA 3.35Å; L245-A249 WeakPolarHBondContact O-CB 3.44Å; L245-A249 PolarHBondContact O-N 3.49Å; E246-A249 WeakPolarHBondContact O-CB 3.36Å; E246-A249 PolarHBondContact O-N 3.27Å
250R95.3Very high97.3Very high247 Ų24744.7 Ų44.793%0.93224%0.241SC*.THydrogen-bonded Turntrans-99.98.5-174.6-58.8-176.6-174.4173.64.3114Y248Y248-R250 PolarHBondContact O-N 3.19Å; Y248-R250 VanDerWaalsContact O-N 3.13Å
251Q97.5Very high97.4Very high62 Ų6243.7 Ų43.729%0.2924%0.235SC..  trans-103138.4-179.2-69-169.233.300111.3Y248 C254 R279 L280Y248-Q251 PolarHBondContact O-N 2.84Å; Y248-Q251 VanDerWaalsContact O-N 3.13Å; Q251-C254 PolarHBondContact OE1-SG 2.65Å; Q251-C254 VanDerWaalsContact OE1-SG 3.33Å; Q251-R279 PolarHBondContact O-NH1 3.05Å; Q251-L280 HydrophobicContact CB-CD2 3.49Å; Q251-L280 VanDerWaalsContact CB-CD2 3.49Å; Q251-L280 WeakPolarHBondContact O-CD2 3.34Å
252S97.9Very high97.6Very high67 Ų6743 Ų4347%0.46923%0.225SC..  trans-144.6145.4176.9-56.20000110.3C254 R279S252-C254 VanDerWaalsContact C-N 3.26Å; S252-C254 PolarHBondContact O-N 2.78Å; S252-R279 CarbonylContact C-O 3.47Å; S252-R279 VanDerWaalsContact CA-O 3.26Å; S252-R279 WeakPolarHBondContact CA-O 3.49Å; S252-R279 WeakPolarHBondContact OG-CD 3.33Å; S252-R279 VanDerWaalsContact OG-CG 3.26Å; S252-R279 WeakPolarHBondContact OG-CG 3.45Å
253N97.8Very high97.8Very high79 Ų7942.4 Ų42.442%0.42222%0.216SC..SBendtrans48.844.8172.9-60.3-24.5000113.4R279 L280 L281 K282 K356N253-R279 PolarHBondContact N-O 3.38Å; N253-L280 PolarHBondContact N-O 3.16Å; N253-L281 PolarHBondContact OD1-O 3.24Å; N253-K282 VanDerWaalsContact C-CG 3.48Å; N253-K282 VanDerWaalsContact O-CG 3.23Å; N253-K282 WeakPolarHBondContact O-CG 3.33Å; N253-K356 PolarHBondContact OD1-NZ 3.47Å
254C97.7Very high97.8Very high21 Ų2140.4 Ų40.414%0.14221%0.205CC..  trans-123.5-13.3-171.560.20000114R151 Q251 S252 L280 K282R151-C254 WeakPolarHBondContact CD-O 3.17Å; R151-C254 PolarHBondContact NH1-O 3.18Å; Q251-C254 PolarHBondContact OE1-SG 2.65Å; Q251-C254 VanDerWaalsContact OE1-SG 3.33Å; S252-C254 VanDerWaalsContact C-N 3.26Å; S252-C254 PolarHBondContact O-N 2.78Å; C254-L280 PolarHBondContact N-O 3.4Å; C254-K282 WeakPolarHBondContact O-CE 3.47Å
255W98.7Very high97.7Very high3 Ų341 Ų411%0.01121%0.208CC..EExtended strand (participates in β ladder)trans-111.7139.2179.4-59.195000111.3R151 L153 Q174 Y248 V258 L280 L281 K282R151-W255 HydrophobicContact CB-CE3 3.71Å; R151-W255 HydrophobicContact CB-CZ3 4.08Å; L153-W255 HydrophobicContact CB-CD2 3.7Å; L153-W255 HydrophobicContact CB-CE3 3.63Å; L153-W255 HydrophobicContact CB-CG 4.18Å; L153-W255 HydrophobicContact CB-CH2 4.45Å; L153-W255 HydrophobicContact CB-CZ3 4.02Å; L153-W255 HydrophobicContact CD1-CH2 4.44Å; L153-W255 HydrophobicContact CD1-CZ2 4.4Å; L153-W255 HydrophobicContact CD2-CD2 4.33Å; L153-W255 HydrophobicContact CD2-CG 4.48Å; Q174-W255 HydrophobicContact CB-CH2 3.53Å; Q174-W255 HydrophobicContact CB-CZ3 3.96Å; Q174-W255 HydrophobicContact CG-CH2 4.22Å; Y248-W255 AromaticContact CE1-CZ2 3.89Å; Y248-W255 HydrophobicContact CE1-CZ2 3.89Å; W255-V258 HydrophobicContact CB-CG2 4.33Å; W255-L280 PolarHBondContact N-O 3.15Å; W255-L280 VanDerWaalsContact N-O 3.09Å; W255-L281 HydrophobicContact CB-CD2 4.48Å; W255-L281 CarbonylContact O-C 3.53Å; W255-L281 WeakPolarHBondContact O-CA 3.29Å; W255-K282 PolarHBondContact O-N 3.29Å
256D98.6Very high97.6Very high26 Ų2641 Ų4114%0.13921%0.211CC..EExtended strand (participates in β ladder)trans-87-30.4176.3-57.6-77.7000110.9F142 I150 R151 K282 G285 Y286F142-D256 HydrophobicContact CZ-CB 4.26Å; I150-D256 HydrophobicContact CG2-CB 3.77Å; R151-D256 PolarHBondContact N-OD2 2.83Å; R151-D256 PolarHBondContact O-N 3.41Å; D256-K282 VanDerWaalsContact OD1-CD 3.31Å; D256-K282 WeakPolarHBondContact OD1-CD 3.27Å; D256-K282 IonicContact OD1-NZ 2.77Å; D256-K282 PolarHBondContact OD1-NZ 3.38Å; D256-K282 IonicContact OD2-NZ 2.9Å; D256-K282 PolarHBondContact OD2-NZ 3.24Å; D256-G285 VanDerWaalsContact O-CA 3.31Å; D256-G285 WeakPolarHBondContact O-CA 3.27Å; D256-Y286 PolarHBondContact O-N 2.88Å
257L98.9Very high97.5Very high0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-143133.7179.7175.163.6000110.5A138 F142 R151 V152 L153 F166 T259 Y286 I288A138-L257 HydrophobicContact CB-CD2 3.56Å; F142-L257 HydrophobicContact CE2-CB 4.07Å; F142-L257 HydrophobicContact CE2-CD2 4.29Å; R151-L257 PolarHBondContact O-N 2.83Å; R151-L257 VanDerWaalsContact O-N 3.12Å; V152-L257 CarbonylContact C-O 3.31Å; V152-L257 WeakPolarHBondContact CA-O 3.47Å; V152-L257 HydrophobicContact CG1-CB 4.44Å; V152-L257 HydrophobicContact CG1-CD2 3.97Å; V152-L257 HydrophobicContact CG1-CG 4.15Å; V152-L257 HydrophobicContact CG2-CB 4.23Å; V152-L257 HydrophobicContact CG2-CD2 4.08Å; L153-L257 PolarHBondContact N-O 2.78Å; F166-L257 HydrophobicContact CE1-CD2 4.35Å; F166-L257 HydrophobicContact CZ-CD2 4.44Å; L257-T259 HydrophobicContact CD1-CG2 3.93Å; L257-T259 HydrophobicContact CD2-CG2 3.76Å; L257-T259 HydrophobicContact CG-CG2 3.7Å; L257-Y286 WeakPolarHBondContact CA-O 3.27Å; L257-Y286 WeakPolarHBondContact CD1-O 3.39Å; L257-I288 HydrophobicContact CD1-CD1 3.65Å; L257-I288 HydrophobicContact CD1-CG1 3.77Å; L257-I288 HydrophobicContact CD2-CD1 4.27Å
258V98.9Very high97.3Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-114.3133.8164.2179.40000108L153 P155 W255 T260 I277 L281 Y286 W287 I288L153-V258 HydrophobicContact CB-CG2 4.22Å; L153-V258 HydrophobicContact CD2-CG2 4.42Å; L153-V258 WeakPolarHBondContact O-CA 3.48Å; P155-V258 HydrophobicContact CG-CG1 4.09Å; W255-V258 HydrophobicContact CB-CG2 4.33Å; V258-T260 HydrophobicContact CG1-CG2 4.36Å; V258-I277 HydrophobicContact CB-CG2 3.94Å; V258-I277 HydrophobicContact CG1-CD1 4.49Å; V258-I277 HydrophobicContact CG1-CG1 4.16Å; V258-I277 HydrophobicContact CG1-CG2 4.04Å; V258-I277 HydrophobicContact CG2-CG2 4.15Å; V258-L281 HydrophobicContact CB-CD2 4.36Å; V258-L281 HydrophobicContact CG2-CD2 3.77Å; V258-L281 HydrophobicContact CG2-CG 4.02Å; V258-Y286 PolarHBondContact N-O 3.45Å; V258-W287 WeakPolarHBondContact O-CA 3.42Å; V258-I288 PolarHBondContact O-N 3.26Å
259T98.9Very high97.2Very high0 Ų036.2 Ų36.20%019%0.189CC..EExtended strand (participates in β ladder)trans-124.1126.317669.60000111.7V134 V152 L153 P155 F166 L257 I288V134-T259 HydrophobicContact CG1-CG2 3.6Å; V152-T259 HydrophobicContact CG1-CG2 4.36Å; L153-T259 PolarHBondContact O-N 3.07Å; P155-T259 VanDerWaalsContact CD-O 3.32Å; P155-T259 WeakPolarHBondContact CD-O 3.5Å; F166-T259 HydrophobicContact CE2-CG2 4.02Å; F166-T259 HydrophobicContact CZ-CG2 3.8Å; L257-T259 HydrophobicContact CD1-CG2 3.93Å; L257-T259 HydrophobicContact CD2-CG2 3.76Å; L257-T259 HydrophobicContact CG-CG2 3.7Å; T259-I288 CarbonylContact C-O 3.56Å; T259-I288 VanDerWaalsContact CA-O 3.25Å; T259-I288 WeakPolarHBondContact CA-O 3.46Å; T259-I288 HydrophobicContact CG2-CB 4.29Å; T259-I288 HydrophobicContact CG2-CD1 4.48Å
260T98.7Very high97.2Very high0 Ų033.6 Ų33.60%017%0.166CC..EExtended strand (participates in β ladder)trans-116.4113.2-178.253.90000109.6P155 V258 F263 I264 I277 W287 I288 N289 M290P155-T260 HydrophobicContact CG-CG2 4.47Å; V258-T260 HydrophobicContact CG1-CG2 4.36Å; T260-F263 HydrophobicContact CG2-CD1 3.67Å; T260-F263 HydrophobicContact CG2-CE1 4.4Å; T260-I264 HydrophobicContact CG2-CG2 4.26Å; T260-I277 HydrophobicContact CG2-CD1 3.94Å; T260-W287 PolarHBondContact OG1-NE1 3.18Å; T260-I288 PolarHBondContact N-O 3.3Å; T260-N289 CarbonylContact O-C 3.56Å; T260-N289 WeakPolarHBondContact O-CA 3.46Å; T260-N289 PolarHBondContact O-OD1 3.12Å; T260-N289 WeakPolarHBondContact OG1-CB 3.34Å; T260-N289 PolarHBondContact OG1-OD1 3.49Å; T260-M290 PolarHBondContact O-N 3.31Å
261V98.6Very high97.3Very high9 Ų924.2 Ų24.26%0.05513%0.134CC..EExtended strand (participates in β ladder)trans-122.6109.4-179-176.20000110.4Y131 V134 L162 F263 M290Y131-V261 HydrophobicContact CD1-CB 4.43Å; Y131-V261 HydrophobicContact CD1-CG1 3.87Å; Y131-V261 HydrophobicContact CE1-CB 4.3Å; Y131-V261 HydrophobicContact CE1-CG1 3.77Å; V134-V261 HydrophobicContact CG2-CG2 3.89Å; L162-V261 HydrophobicContact CD2-CB 4.16Å; L162-V261 HydrophobicContact CD2-CG2 3.54Å; V261-F263 VanDerWaalsContact C-N 3.34Å; V261-M290 CarbonylContact C-O 3.6Å; V261-M290 VanDerWaalsContact CA-O 3.22Å; V261-M290 WeakPolarHBondContact CA-O 3.36Å; V261-M290 HydrophobicContact CG1-CB 4.4Å; V261-M290 HydrophobicContact CG2-CB 4.27Å
262F97.6Very high97.3Very high20 Ų2024.2 Ų24.29%0.08814%0.136CC..SBendtrans52.152.2-169.5-72.6-111.5000111.5M290 P292 T333 Y335 Y347F262-M290 PolarHBondContact N-O 2.91Å; F262-P292 VanDerWaalsContact CD1-CD 3.45Å; F262-P292 HydrophobicContact CD1-CG 3.86Å; F262-P292 HydrophobicContact CE1-CG 3.66Å; F262-P292 HydrophobicContact CZ-CG 4.37Å; F262-T333 HydrophobicContact CE2-CG2 3.97Å; F262-T333 HydrophobicContact CZ-CG2 3.98Å; F262-Y335 HydrophobicContact CB-CD2 4.4Å; F262-Y335 HydrophobicContact CB-CE2 3.9Å; F262-Y335 AromaticContact CD1-CD2 3.28Å; F262-Y335 HydrophobicContact CD1-CD2 3.28Å; F262-Y335 AromaticContact CD1-CE2 3.58Å; F262-Y335 HydrophobicContact CD1-CE2 3.58Å; F262-Y335 HydrophobicContact CD1-CG 4.17Å; F262-Y335 HydrophobicContact CD2-CD2 4.36Å; F262-Y335 AromaticContact CE1-CD2 3.41Å; F262-Y335 HydrophobicContact CE1-CD2 3.41Å; F262-Y335 VanDerWaalsContact CE1-CD2 3.41Å; F262-Y335 HydrophobicContact CE1-CE2 4.2Å; F262-Y335 HydrophobicContact CE1-CG 4.02Å; F262-Y335 HydrophobicContact CE2-CD2 4.47Å; F262-Y335 AromaticContact CG-CD2 3.79Å; F262-Y335 HydrophobicContact CG-CD2 3.79Å; F262-Y335 AromaticContact CG-CE2 3.79Å; F262-Y335 HydrophobicContact CG-CE2 3.79Å; F262-Y335 HydrophobicContact CZ-CD2 4.02Å; F262-Y347 AromaticContact CE1-CD2 3.86Å; F262-Y347 HydrophobicContact CE1-CD2 3.86Å; F262-Y347 HydrophobicContact CE1-CE2 4.19Å; F262-Y347 HydrophobicContact CE1-CG 4.4Å; F262-Y347 HydrophobicContact CZ-CD2 4.24Å
263F98.1Very high97.3Very high10 Ų1021.5 Ų21.54%0.04412%0.116CC..  trans-131.2-42.7-173.4177-104000113.6P155 G156 F244 T260 V261 D265 T266 Y273P155-F263 HydrophobicContact CB-CD1 3.74Å; P155-F263 HydrophobicContact CB-CD2 4.14Å; P155-F263 HydrophobicContact CB-CE1 3.34Å; P155-F263 HydrophobicContact CB-CE2 3.77Å; P155-F263 HydrophobicContact CB-CG 4.11Å; P155-F263 HydrophobicContact CB-CZ 3.35Å; P155-F263 HydrophobicContact CG-CE1 4.17Å; G156-F263 VanDerWaalsContact CA-CD2 3.44Å; F244-F263 HydrophobicContact CB-CE2 4.49Å; F244-F263 HydrophobicContact CB-CZ 3.72Å; F244-F263 AromaticContact CD1-CE1 3.9Å; F244-F263 HydrophobicContact CD1-CE1 3.9Å; F244-F263 AromaticContact CD1-CZ 3.77Å; F244-F263 HydrophobicContact CD1-CZ 3.77Å; F244-F263 HydrophobicContact CE1-CE1 4.25Å; F244-F263 HydrophobicContact CG-CE1 4.22Å; F244-F263 AromaticContact CG-CZ 3.75Å; F244-F263 HydrophobicContact CG-CZ 3.75Å; T260-F263 HydrophobicContact CG2-CD1 3.67Å; T260-F263 HydrophobicContact CG2-CE1 4.4Å; V261-F263 VanDerWaalsContact C-N 3.34Å; F263-D265 PolarHBondContact N-OD1 3.24Å; F263-D265 PolarHBondContact O-N 3.2Å; F263-T266 WeakPolarHBondContact O-CB 3.48Å; F263-T266 WeakPolarHBondContact O-CG2 3.47Å; F263-T266 PolarHBondContact O-N 3.44Å; F263-T266 PolarHBondContact O-OG1 3Å; F263-Y273 AromaticContact CD1-CD2 3.99Å; F263-Y273 HydrophobicContact CD1-CD2 3.99Å; F263-Y273 AromaticContact CD1-CE2 3.81Å; F263-Y273 HydrophobicContact CD1-CE2 3.81Å; F263-Y273 AromaticContact CE1-CD2 3.46Å; F263-Y273 HydrophobicContact CE1-CD2 3.46Å; F263-Y273 VanDerWaalsContact CE1-CD2 3.46Å; F263-Y273 AromaticContact CE1-CE2 3.22Å; F263-Y273 HydrophobicContact CE1-CE2 3.22Å; F263-Y273 HydrophobicContact CE1-CG 4.33Å; F263-Y273 AromaticContact CE1-CZ 3.93Å; F263-Y273 HydrophobicContact CE2-CE2 4.04Å; F263-Y273 HydrophobicContact CG-CE2 4.44Å; F263-Y273 HydrophobicContact CZ-CD2 4.05Å; F263-Y273 HydrophobicContact CZ-CE1 4.49Å; F263-Y273 AromaticContact CZ-CE2 3.36Å; F263-Y273 HydrophobicContact CZ-CE2 3.36Å; F263-Y273 AromaticContact CZ-CZ 3.62Å
264I97.6Very high97.3Very high1 Ų117.8 Ų17.81%0.00510%0.096CC..G310 helixtrans-63.2-22.2-174.162.3174.2000113.5T260 T266 I270 W287 L293T260-I264 HydrophobicContact CG2-CG2 4.26Å; I264-T266 PolarHBondContact O-N 3.11Å; I264-I270 HydrophobicContact CB-CD1 4.08Å; I264-I270 HydrophobicContact CB-CG1 4.37Å; I264-I270 HydrophobicContact CD1-CD1 4.3Å; I264-I270 HydrophobicContact CG1-CD1 4.3Å; I264-I270 WeakPolarHBondContact O-CG1 3.37Å; I264-W287 HydrophobicContact CG2-CZ2 3.99Å; I264-L293 HydrophobicContact CD1-CD2 3.93Å; I264-L293 HydrophobicContact CG1-CD2 4.3Å
265D95.4Very high97.4Very high14 Ų1421.9 Ų21.98%0.07511%0.113CC..G310 helixtrans-75-5.9173.758-50.7000113.7F263 Y295 H296F263-D265 PolarHBondContact N-OD1 3.24Å; F263-D265 PolarHBondContact O-N 3.2Å; D265-Y295 WeakPolarHBondContact O-CA 3.42Å; D265-H296 PolarHBondContact O-N 2.89Å
266T95.3Very high97.3Very high47 Ų4722.5 Ų22.529%0.28812%0.117SC..G310 helixtrans-91.98.3177.776.60000113.8F263 I264 Y273 F297F263-T266 WeakPolarHBondContact O-CB 3.48Å; F263-T266 WeakPolarHBondContact O-CG2 3.47Å; F263-T266 PolarHBondContact O-N 3.44Å; F263-T266 PolarHBondContact O-OG1 3Å; I264-T266 PolarHBondContact O-N 3.11Å; T266-Y273 PolarHBondContact O-OH 2.95Å; T266-Y273 PolarHBondContact OG1-OH 3.33Å; T266-F297 VanDerWaalsContact O-CE2 3.28Å; T266-F297 WeakPolarHBondContact O-CE2 3.47Å
267A93.9Very high97.4Very high2 Ų221.2 Ų21.22%0.01711%0.11CC..  trans-90.6142.4176.600000111.9I270 Y273A267-I270 HydrophobicContact CB-CB 4.36Å; A267-Y273 HydrophobicContact CB-CD1 3.81Å; A267-Y273 HydrophobicContact CB-CD2 3.82Å; A267-Y273 HydrophobicContact CB-CE1 3.69Å; A267-Y273 HydrophobicContact CB-CE2 3.67Å; A267-Y273 HydrophobicContact CB-CG 3.9Å
268N93.4Very high97.3Very high57 Ų5722.8 Ų22.831%0.30512%0.117SC..SBendtrans-67.4-44160.6-6491.2000110.4F297 P304 S305 I306N268-F297 HydrophobicContact CB-CD2 4.49Å; N268-F297 WeakPolarHBondContact ND2-CG 3.22Å; N268-F297 WeakPolarHBondContact OD1-CE2 3.42Å; N268-P304 VanDerWaalsContact CB-O 3.28Å; N268-P304 WeakPolarHBondContact CB-O 3.15Å; N268-P304 PolarHBondContact ND2-O 2.9Å; N268-S305 CarbonylContact O-C 3.56Å; N268-S305 VanDerWaalsContact O-CA 3.3Å; N268-S305 WeakPolarHBondContact O-CA 3.41Å; N268-I306 PolarHBondContact O-N 2.73Å
269N95.5Very high97.3Very high39 Ų3925.8 Ų25.821%0.20913%0.128CC..BIsolated β-bridgetrans-122.1102.1173.4175.515.6000109.6I271 D272 I306N269-I271 PolarHBondContact O-N 3.27Å; N269-I271 VanDerWaalsContact O-N 3.16Å; N269-I271 WeakPolarHBondContact OD1-CB 3.39Å; N269-I271 PolarHBondContact OD1-N 3.37Å; N269-I271 VanDerWaalsContact OD1-N 3.13Å; N269-D272 WeakPolarHBondContact CB-OD2 3.48Å; N269-D272 PolarHBondContact ND2-OD1 2.55Å; N269-D272 PolarHBondContact ND2-OD2 2.75Å; N269-D272 WeakPolarHBondContact O-CB 3.2Å; N269-D272 PolarHBondContact O-N 3.24Å; N269-D272 VanDerWaalsContact O-N 3.13Å; N269-I306 HydrophobicContact CB-CD1 4.43Å
270I96Very high97.3Very high1 Ų125.8 Ų25.81%0.00513%0.128CC..Hα-helixtrans-62.7-22.8-177.6-162.7173.3000113.1I264 A267 D272 Y273 F274 Y295 L308 I313I264-I270 HydrophobicContact CB-CD1 4.08Å; I264-I270 HydrophobicContact CB-CG1 4.37Å; I264-I270 HydrophobicContact CD1-CD1 4.3Å; I264-I270 HydrophobicContact CG1-CD1 4.3Å; I264-I270 WeakPolarHBondContact O-CG1 3.37Å; A267-I270 HydrophobicContact CB-CB 4.36Å; I270-D272 VanDerWaalsContact C-N 3.33Å; I270-D272 PolarHBondContact O-N 3.36Å; I270-Y273 WeakPolarHBondContact O-CB 3.44Å; I270-Y273 PolarHBondContact O-N 2.86Å; I270-F274 HydrophobicContact CD1-CE1 4.01Å; I270-F274 HydrophobicContact CD1-CZ 3.66Å; I270-F274 HydrophobicContact CG1-CD1 4.48Å; I270-F274 HydrophobicContact CG1-CE1 3.63Å; I270-F274 HydrophobicContact CG1-CE2 4.31Å; I270-F274 HydrophobicContact CG1-CZ 3.54Å; I270-F274 HydrophobicContact CG2-CE2 4.44Å; I270-F274 HydrophobicContact CG2-CZ 4.41Å; I270-F274 WeakPolarHBondContact O-CD1 3.3Å; I270-F274 WeakPolarHBondContact O-CG 3.31Å; I270-F274 PolarHBondContact O-N 3.03Å; I270-Y295 HydrophobicContact CD1-CE1 4.02Å; I270-L308 HydrophobicContact CG2-CD1 3.7Å; I270-L308 HydrophobicContact CG2-CG 3.92Å; I270-I313 HydrophobicContact CD1-CD1 3.88Å; I270-I313 HydrophobicContact CD1-CG1 4.42Å
271I97.7Very high97.3Very high51 Ų5125.8 Ų25.826%0.26213%0.128SC..Hα-helixtrans-66.9-37.4177.8-54.5175.5000110.4N269 Y273 F274 E275 L308 V316N269-I271 PolarHBondContact O-N 3.27Å; N269-I271 VanDerWaalsContact O-N 3.16Å; N269-I271 WeakPolarHBondContact OD1-CB 3.39Å; N269-I271 PolarHBondContact OD1-N 3.37Å; N269-I271 VanDerWaalsContact OD1-N 3.13Å; I271-Y273 PolarHBondContact O-N 2.72Å; I271-F274 PolarHBondContact O-N 3.22Å; I271-E275 HydrophobicContact CG2-CG 4.33Å; I271-E275 PolarHBondContact O-N 3.23Å; I271-L308 HydrophobicContact CG1-CD1 4.44Å; I271-V316 HydrophobicContact CG1-CG1 4.2Å; I271-V316 HydrophobicContact CG2-CG1 4.42Å
272D97.8Very high97.3Very high62 Ų6228.3 Ų28.333%0.33214%0.138SC..Hα-helixtrans-61.4-34.9177.2-66.2-26.4000111.2L245 N269 I270 T276L245-D272 HydrophobicContact CD1-CB 3.75Å; L245-D272 HydrophobicContact CD2-CB 4.13Å; N269-D272 WeakPolarHBondContact CB-OD2 3.48Å; N269-D272 PolarHBondContact ND2-OD1 2.55Å; N269-D272 PolarHBondContact ND2-OD2 2.75Å; N269-D272 WeakPolarHBondContact O-CB 3.2Å; N269-D272 PolarHBondContact O-N 3.24Å; N269-D272 VanDerWaalsContact O-N 3.13Å; I270-D272 VanDerWaalsContact C-N 3.33Å; I270-D272 PolarHBondContact O-N 3.36Å; D272-T276 WeakPolarHBondContact O-CB 3.42Å; D272-T276 PolarHBondContact O-N 3Å; D272-T276 PolarHBondContact O-OG1 2.96Å
273Y98.1Very high97.3Very high10 Ų1029.1 Ų29.14%0.03915%0.145CC..Hα-helixtrans-64.5-45.3173.1-79.219.7000110.5F244 L245 F263 T266 A267 I270 I271 T276 I277F244-Y273 HydrophobicContact CD1-CD1 4.04Å; F244-Y273 HydrophobicContact CD1-CE1 4.09Å; F244-Y273 HydrophobicContact CD1-CG 4.36Å; F244-Y273 HydrophobicContact CE1-CD1 4.43Å; F244-Y273 HydrophobicContact CE1-CG 4.44Å; L245-Y273 HydrophobicContact CD1-CD1 4.21Å; L245-Y273 HydrophobicContact CD1-CE1 4.12Å; L245-Y273 HydrophobicContact CD2-CD1 3.82Å; L245-Y273 HydrophobicContact CD2-CE1 4.22Å; L245-Y273 HydrophobicContact CG-CD1 4.06Å; L245-Y273 HydrophobicContact CG-CE1 3.97Å; F263-Y273 AromaticContact CD1-CD2 3.99Å; F263-Y273 HydrophobicContact CD1-CD2 3.99Å; F263-Y273 AromaticContact CD1-CE2 3.81Å; F263-Y273 HydrophobicContact CD1-CE2 3.81Å; F263-Y273 AromaticContact CE1-CD2 3.46Å; F263-Y273 HydrophobicContact CE1-CD2 3.46Å; F263-Y273 VanDerWaalsContact CE1-CD2 3.46Å; F263-Y273 AromaticContact CE1-CE2 3.22Å; F263-Y273 HydrophobicContact CE1-CE2 3.22Å; F263-Y273 HydrophobicContact CE1-CG 4.33Å; F263-Y273 AromaticContact CE1-CZ 3.93Å; F263-Y273 HydrophobicContact CE2-CE2 4.04Å; F263-Y273 HydrophobicContact CG-CE2 4.44Å; F263-Y273 HydrophobicContact CZ-CD2 4.05Å; F263-Y273 HydrophobicContact CZ-CE1 4.49Å; F263-Y273 AromaticContact CZ-CE2 3.36Å; F263-Y273 HydrophobicContact CZ-CE2 3.36Å; F263-Y273 AromaticContact CZ-CZ 3.62Å; T266-Y273 PolarHBondContact O-OH 2.95Å; T266-Y273 PolarHBondContact OG1-OH 3.33Å; A267-Y273 HydrophobicContact CB-CD1 3.81Å; A267-Y273 HydrophobicContact CB-CD2 3.82Å; A267-Y273 HydrophobicContact CB-CE1 3.69Å; A267-Y273 HydrophobicContact CB-CE2 3.67Å; A267-Y273 HydrophobicContact CB-CG 3.9Å; I270-Y273 WeakPolarHBondContact O-CB 3.44Å; I270-Y273 PolarHBondContact O-N 2.86Å; I271-Y273 PolarHBondContact O-N 2.72Å; Y273-T276 PolarHBondContact O-N 3.23Å; Y273-I277 WeakPolarHBondContact O-CB 3.39Å; Y273-I277 WeakPolarHBondContact O-CD1 3.33Å; Y273-I277 WeakPolarHBondContact O-CG1 3.45Å; Y273-I277 PolarHBondContact O-N 3.44Å
274F98.5Very high97.3Very high0 Ų029.8 Ų29.80%016%0.155CC..Hα-helixtrans-64.5-46.9-178.4-57.8-15.5000112.1I270 I271 T276 I277 Y278 W287 I313 V316 M317 V320I270-F274 HydrophobicContact CD1-CE1 4.01Å; I270-F274 HydrophobicContact CD1-CZ 3.66Å; I270-F274 HydrophobicContact CG1-CD1 4.48Å; I270-F274 HydrophobicContact CG1-CE1 3.63Å; I270-F274 HydrophobicContact CG1-CE2 4.31Å; I270-F274 HydrophobicContact CG1-CZ 3.54Å; I270-F274 HydrophobicContact CG2-CE2 4.44Å; I270-F274 HydrophobicContact CG2-CZ 4.41Å; I270-F274 WeakPolarHBondContact O-CD1 3.3Å; I270-F274 WeakPolarHBondContact O-CG 3.31Å; I270-F274 PolarHBondContact O-N 3.03Å; I271-F274 PolarHBondContact O-N 3.22Å; F274-T276 VanDerWaalsContact C-N 3.33Å; F274-T276 PolarHBondContact O-N 3.46Å; F274-I277 PolarHBondContact O-N 3.48Å; F274-Y278 WeakPolarHBondContact O-CB 3.46Å; F274-Y278 PolarHBondContact O-N 3.17Å; F274-W287 AromaticContact CD1-CH2 3.41Å; F274-W287 HydrophobicContact CD1-CH2 3.41Å; F274-W287 VanDerWaalsContact CD1-CH2 3.41Å; F274-W287 HydrophobicContact CD1-CZ2 4.26Å; F274-W287 HydrophobicContact CD1-CZ3 4Å; F274-W287 AromaticContact CE1-CH2 3.5Å; F274-W287 HydrophobicContact CE1-CH2 3.5Å; F274-W287 HydrophobicContact CE1-CZ2 4.23Å; F274-W287 HydrophobicContact CE1-CZ3 4.42Å; F274-W287 HydrophobicContact CG-CH2 4.3Å; F274-W287 HydrophobicContact CZ-CH2 4.42Å; F274-I313 HydrophobicContact CE2-CG1 4.47Å; F274-I313 HydrophobicContact CE2-CG2 4.14Å; F274-I313 HydrophobicContact CZ-CB 4.42Å; F274-I313 HydrophobicContact CZ-CG1 4.19Å; F274-I313 HydrophobicContact CZ-CG2 3.72Å; F274-V316 HydrophobicContact CD2-CG1 3.82Å; F274-V316 HydrophobicContact CE2-CB 4.47Å; F274-V316 HydrophobicContact CE2-CG1 4.19Å; F274-M317 HydrophobicContact CD2-CG 4.04Å; F274-M317 HydrophobicContact CE2-CG 4.03Å; F274-M317 HydrophobicContact CG-CG 4.33Å; F274-M317 HydrophobicContact CZ-CG 4.33Å; F274-V320 HydrophobicContact CB-CG2 4.2Å
275E98.3Very high97.4Very high108 Ų10829.9 Ų29.951%0.50516%0.156SC..Hα-helixtrans-63.1-41176.9-68.1-172.4162.600111.5I271 Y278 R279 V320I271-E275 HydrophobicContact CG2-CG 4.33Å; I271-E275 PolarHBondContact O-N 3.23Å; E275-Y278 PolarHBondContact O-N 3.46Å; E275-R279 WeakPolarHBondContact O-CB 3.28Å; E275-R279 PolarHBondContact O-N 3.02Å; E275-V320 HydrophobicContact CG-CG2 4.19Å
276T98.6Very high97.5Very high15 Ų1532 Ų329%0.09216%0.164CC..Hα-helixtrans-63.4-47.1176.9-67.80000111.3F244 L245 D272 Y273 F274 Y278 R279 L280F244-T276 HydrophobicContact CD1-CG2 4.31Å; F244-T276 HydrophobicContact CE1-CG2 3.55Å; F244-T276 HydrophobicContact CE2-CG2 4.29Å; F244-T276 HydrophobicContact CZ-CG2 3.53Å; L245-T276 HydrophobicContact CD2-CG2 3.97Å; L245-T276 WeakPolarHBondContact CD2-OG1 3.29Å; D272-T276 WeakPolarHBondContact O-CB 3.42Å; D272-T276 PolarHBondContact O-N 3Å; D272-T276 PolarHBondContact O-OG1 2.96Å; Y273-T276 PolarHBondContact O-N 3.23Å; F274-T276 VanDerWaalsContact C-N 3.33Å; F274-T276 PolarHBondContact O-N 3.46Å; T276-Y278 VanDerWaalsContact C-N 3.35Å; T276-Y278 PolarHBondContact O-N 3.49Å; T276-R279 PolarHBondContact O-N 3.21Å; T276-R279 PolarHBondContact O-NH1 3.5Å; T276-R279 PolarHBondContact OG1-NH2 2.97Å; T276-L280 HydrophobicContact CG2-CD1 4.09Å; T276-L280 HydrophobicContact CG2-CG 4.42Å; T276-L280 WeakPolarHBondContact O-CB 3.39Å; T276-L280 WeakPolarHBondContact O-CG 3.43Å; T276-L280 PolarHBondContact O-N 3.01Å
277I98.8Very high97.7Very high0 Ų029.8 Ų29.80%015%0.15CC..Hα-helixtrans-62.2-44.1177.4-65.7166.3000110.1F244 V258 T260 Y273 F274 R279 L280 L281 W287 F322F244-I277 HydrophobicContact CE1-CG1 4.15Å; F244-I277 HydrophobicContact CZ-CG1 3.86Å; V258-I277 HydrophobicContact CB-CG2 3.94Å; V258-I277 HydrophobicContact CG1-CD1 4.49Å; V258-I277 HydrophobicContact CG1-CG1 4.16Å; V258-I277 HydrophobicContact CG1-CG2 4.04Å; V258-I277 HydrophobicContact CG2-CG2 4.15Å; T260-I277 HydrophobicContact CG2-CD1 3.94Å; Y273-I277 WeakPolarHBondContact O-CB 3.39Å; Y273-I277 WeakPolarHBondContact O-CD1 3.33Å; Y273-I277 WeakPolarHBondContact O-CG1 3.45Å; Y273-I277 PolarHBondContact O-N 3.44Å; F274-I277 PolarHBondContact O-N 3.48Å; I277-R279 PolarHBondContact O-N 3.14Å; I277-L280 PolarHBondContact O-N 2.96Å; I277-L281 HydrophobicContact CG2-CD1 3.99Å; I277-L281 HydrophobicContact CG2-CG 4.49Å; I277-L281 WeakPolarHBondContact O-CG 3.31Å; I277-L281 PolarHBondContact O-N 2.73Å; I277-L281 VanDerWaalsContact O-N 3.08Å; I277-W287 HydrophobicContact CD1-CD2 4.33Å; I277-W287 HydrophobicContact CD1-CZ2 4.06Å; I277-W287 HydrophobicContact CG2-CB 4.04Å; I277-W287 HydrophobicContact CG2-CD2 4.01Å; I277-W287 HydrophobicContact CG2-CE3 4.35Å; I277-W287 HydrophobicContact CG2-CG 3.84Å; I277-F322 HydrophobicContact CB-CZ 4.38Å; I277-F322 HydrophobicContact CG2-CZ 3.92Å
278Y98.7Very high97.9Very high33 Ų3329.7 Ų29.713%0.12915%0.149CC..Hα-helixtrans-59.7-47.6178.2-171-95.2000112F274 E275 T276 L280 V320 G321 F322 K356 E362F274-Y278 WeakPolarHBondContact O-CB 3.46Å; F274-Y278 PolarHBondContact O-N 3.17Å; E275-Y278 PolarHBondContact O-N 3.46Å; T276-Y278 VanDerWaalsContact C-N 3.35Å; T276-Y278 PolarHBondContact O-N 3.49Å; Y278-L280 VanDerWaalsContact C-N 3.34Å; Y278-L280 PolarHBondContact O-N 3.45Å; Y278-V320 HydrophobicContact CD2-CG1 4.15Å; Y278-V320 HydrophobicContact CG-CG1 3.89Å; Y278-G321 VanDerWaalsContact CE2-C 3.5Å; Y278-F322 HydrophobicContact CD2-CD1 4.07Å; Y278-F322 HydrophobicContact CD2-CD2 4.06Å; Y278-F322 AromaticContact CD2-CE1 3.9Å; Y278-F322 HydrophobicContact CD2-CE1 3.9Å; Y278-F322 AromaticContact CD2-CE2 3.9Å; Y278-F322 HydrophobicContact CD2-CE2 3.9Å; Y278-F322 HydrophobicContact CD2-CG 4.15Å; Y278-F322 AromaticContact CD2-CZ 3.81Å; Y278-F322 HydrophobicContact CD2-CZ 3.81Å; Y278-F322 HydrophobicContact CG-CE2 4.36Å; Y278-F322 HydrophobicContact CG-CZ 4.3Å; Y278-K356 HydrophobicContact CD2-CD 4.4Å; Y278-K356 HydrophobicContact CD2-CG 4.3Å; Y278-K356 HydrophobicContact CE1-CD 4.37Å; Y278-K356 HydrophobicContact CE2-CB 4.25Å; Y278-K356 HydrophobicContact CE2-CD 4.17Å; Y278-K356 HydrophobicContact CE2-CG 3.73Å; Y278-K356 WeakPolarHBondContact O-CD 3.47Å; Y278-K356 PolarHBondContact O-NZ 2.76Å; Y278-E362 PolarHBondContact OH-OE1 3.26Å
279R98.3Very high98.2Very high63 Ų6327 Ų2724%0.23814%0.135CC..Hα-helixtrans-65.3-36.7177.8173.3-166.555.91711.5111.6Q251 S252 N253 E275 T276 I277Q251-R279 PolarHBondContact O-NH1 3.05Å; S252-R279 CarbonylContact C-O 3.47Å; S252-R279 VanDerWaalsContact CA-O 3.26Å; S252-R279 WeakPolarHBondContact CA-O 3.49Å; S252-R279 WeakPolarHBondContact OG-CD 3.33Å; S252-R279 VanDerWaalsContact OG-CG 3.26Å; S252-R279 WeakPolarHBondContact OG-CG 3.45Å; N253-R279 PolarHBondContact N-O 3.38Å; E275-R279 WeakPolarHBondContact O-CB 3.28Å; E275-R279 PolarHBondContact O-N 3.02Å; T276-R279 PolarHBondContact O-N 3.21Å; T276-R279 PolarHBondContact O-NH1 3.5Å; T276-R279 PolarHBondContact OG1-NH2 2.97Å; I277-R279 PolarHBondContact O-N 3.14Å
280L98.8Very high98.3Very high0 Ų025.1 Ų25.10%013%0.125CC..Hα-helixtrans-67.3-37.4-179.6-78.8179.9000113.3L153 F244 Y248 Q251 N253 C254 W255 T276 I277 Y278L153-L280 HydrophobicContact CD2-CD1 3.63Å; F244-L280 HydrophobicContact CE2-CD1 3.82Å; F244-L280 HydrophobicContact CZ-CD1 3.91Å; Y248-L280 HydrophobicContact CD1-CD1 4.35Å; Y248-L280 HydrophobicContact CD1-CD2 4.28Å; Y248-L280 HydrophobicContact CG-CD1 4.08Å; Y248-L280 HydrophobicContact CG-CD2 4.42Å; Q251-L280 HydrophobicContact CB-CD2 3.49Å; Q251-L280 VanDerWaalsContact CB-CD2 3.49Å; Q251-L280 WeakPolarHBondContact O-CD2 3.34Å; N253-L280 PolarHBondContact N-O 3.16Å; C254-L280 PolarHBondContact N-O 3.4Å; W255-L280 PolarHBondContact N-O 3.15Å; W255-L280 VanDerWaalsContact N-O 3.09Å; T276-L280 HydrophobicContact CG2-CD1 4.09Å; T276-L280 HydrophobicContact CG2-CG 4.42Å; T276-L280 WeakPolarHBondContact O-CB 3.39Å; T276-L280 WeakPolarHBondContact O-CG 3.43Å; T276-L280 PolarHBondContact O-N 3.01Å; I277-L280 PolarHBondContact O-N 2.96Å; Y278-L280 VanDerWaalsContact C-N 3.34Å; Y278-L280 PolarHBondContact O-N 3.45Å
281L98.8Very high98.4Very high0 Ų025.1 Ų25.10%013%0.125CC..EExtended strand (participates in β ladder)trans-69137.3-179.1-73.4169.9000111.6N253 W255 V258 I277 Y286 W287 F322 K356N253-L281 PolarHBondContact OD1-O 3.24Å; W255-L281 HydrophobicContact CB-CD2 4.48Å; W255-L281 CarbonylContact O-C 3.53Å; W255-L281 WeakPolarHBondContact O-CA 3.29Å; V258-L281 HydrophobicContact CB-CD2 4.36Å; V258-L281 HydrophobicContact CG2-CD2 3.77Å; V258-L281 HydrophobicContact CG2-CG 4.02Å; I277-L281 HydrophobicContact CG2-CD1 3.99Å; I277-L281 HydrophobicContact CG2-CG 4.49Å; I277-L281 WeakPolarHBondContact O-CG 3.31Å; I277-L281 PolarHBondContact O-N 2.73Å; I277-L281 VanDerWaalsContact O-N 3.08Å; L281-Y286 WeakPolarHBondContact CD2-O 3.31Å; L281-W287 HydrophobicContact CD1-CB 4.03Å; L281-F322 HydrophobicContact CD1-CE1 3.75Å; L281-F322 HydrophobicContact CD1-CZ 4.22Å; L281-K356 HydrophobicContact CB-CB 4.32Å; L281-K356 HydrophobicContact CB-CD 4Å; L281-K356 VanDerWaalsContact O-CD 3.31Å; L281-K356 WeakPolarHBondContact O-CD 3.23Å; L281-K356 PolarHBondContact O-NZ 2.8Å
282K98.3Very high98.3Very high61 Ų6123.3 Ų23.327%0.26512%0.116SC..EExtended strand (participates in β ladder)trans-61.4152.9164.9-67.4171.7-165.7167.50109.9N253 C254 W255 D256 G284 G285N253-K282 VanDerWaalsContact C-CG 3.48Å; N253-K282 VanDerWaalsContact O-CG 3.23Å; N253-K282 WeakPolarHBondContact O-CG 3.33Å; C254-K282 WeakPolarHBondContact O-CE 3.47Å; W255-K282 PolarHBondContact O-N 3.29Å; D256-K282 VanDerWaalsContact OD1-CD 3.31Å; D256-K282 WeakPolarHBondContact OD1-CD 3.27Å; D256-K282 IonicContact OD1-NZ 2.77Å; D256-K282 PolarHBondContact OD1-NZ 3.38Å; D256-K282 IonicContact OD2-NZ 2.9Å; D256-K282 PolarHBondContact OD2-NZ 3.24Å; K282-G284 PolarHBondContact O-N 2.98Å; K282-G285 WeakPolarHBondContact O-CA 3.41Å; K282-G285 PolarHBondContact O-N 3.09Å
283P98.2Very high98.2Very high38 Ų3822.5 Ų22.525%0.24711%0.112CC..EExtended strand (participates in β ladder)trans-50.6132.9163.8-23.934.2000110.3G285 P357 D359P283-G285 VanDerWaalsContact C-N 3.26Å; P283-G285 PolarHBondContact O-N 3.41Å; P283-P357 WeakPolarHBondContact CA-O 3.45Å; P283-D359 WeakPolarHBondContact CG-OD1 3.32Å
284G97.9Very high98Very high23 Ų2326.8 Ų26.824%0.23714%0.135CC..EExtended strand (participates in β ladder)trans77.50.6-171.600000115.6K282 Y286 K356 P357 N358K282-G284 PolarHBondContact O-N 2.98Å; G284-Y286 WeakPolarHBondContact O-CE2 3.44Å; G284-K356 VanDerWaalsContact CA-O 3.25Å; G284-K356 WeakPolarHBondContact CA-O 3.25Å; G284-K356 PolarHBondContact N-O 3.33Å; G284-P357 PolarHBondContact N-O 3.37Å; G284-N358 WeakPolarHBondContact CA-OD1 3.41Å; G284-N358 PolarHBondContact N-OD1 3.26Å
285G98.5Very high97.8Very high4 Ų427.9 Ų27.94%0.04114%0.139CC..EExtended strand (participates in β ladder)trans-74.7164.717600000113.4D256 K282 P283 A355 K356D256-G285 VanDerWaalsContact O-CA 3.31Å; D256-G285 WeakPolarHBondContact O-CA 3.27Å; K282-G285 WeakPolarHBondContact O-CA 3.41Å; K282-G285 PolarHBondContact O-N 3.09Å; P283-G285 VanDerWaalsContact C-N 3.26Å; P283-G285 PolarHBondContact O-N 3.41Å; G285-A355 WeakPolarHBondContact O-CA 3.28Å; G285-K356 PolarHBondContact O-N 3.34Å
286Y98.8Very high97.4Very high59 Ų5928.1 Ų28.123%0.23114%0.14CC..EExtended strand (participates in β ladder)trans-121.3150.3-173-57.8-81.5000113.2L141 F142 D256 L257 V258 L281 G284 L325 C354 A355L141-Y286 HydrophobicContact CB-CE2 4.46Å; L141-Y286 HydrophobicContact CD1-CD1 4.11Å; L141-Y286 HydrophobicContact CD1-CD2 3.96Å; L141-Y286 HydrophobicContact CD1-CG 3.74Å; L141-Y286 HydrophobicContact CD2-CD1 4.04Å; L141-Y286 HydrophobicContact CD2-CD2 4.32Å; L141-Y286 HydrophobicContact CD2-CE1 3.8Å; L141-Y286 HydrophobicContact CD2-CE2 4.07Å; L141-Y286 HydrophobicContact CD2-CG 4.3Å; F142-Y286 HydrophobicContact CE1-CE2 4.43Å; F142-Y286 HydrophobicContact CE2-CD2 4.29Å; F142-Y286 AromaticContact CZ-CD2 3.75Å; F142-Y286 HydrophobicContact CZ-CD2 3.75Å; F142-Y286 HydrophobicContact CZ-CE2 4.1Å; D256-Y286 PolarHBondContact O-N 2.88Å; L257-Y286 WeakPolarHBondContact CA-O 3.27Å; L257-Y286 WeakPolarHBondContact CD1-O 3.39Å; V258-Y286 PolarHBondContact N-O 3.45Å; L281-Y286 WeakPolarHBondContact CD2-O 3.31Å; G284-Y286 WeakPolarHBondContact O-CE2 3.44Å; Y286-L325 HydrophobicContact CD1-CD1 4.06Å; Y286-L325 HydrophobicContact CE1-CD1 3.83Å; Y286-C354 CarbonylContact C-O 3.58Å; Y286-C354 WeakPolarHBondContact CA-O 3.37Å; Y286-A355 HydrophobicContact CD1-CB 3.85Å; Y286-A355 HydrophobicContact CE1-CB 3.9Å
287W98.9Very high97Very high0 Ų029 Ų290%014%0.143CC..EExtended strand (participates in β ladder)trans-121.9124.1167.4172.629.6000109.7V258 T260 I264 F274 I277 L281 N289 M317 F322 F352 V353 C354V258-W287 WeakPolarHBondContact O-CA 3.42Å; T260-W287 PolarHBondContact OG1-NE1 3.18Å; I264-W287 HydrophobicContact CG2-CZ2 3.99Å; F274-W287 AromaticContact CD1-CH2 3.41Å; F274-W287 HydrophobicContact CD1-CH2 3.41Å; F274-W287 VanDerWaalsContact CD1-CH2 3.41Å; F274-W287 HydrophobicContact CD1-CZ2 4.26Å; F274-W287 HydrophobicContact CD1-CZ3 4Å; F274-W287 AromaticContact CE1-CH2 3.5Å; F274-W287 HydrophobicContact CE1-CH2 3.5Å; F274-W287 HydrophobicContact CE1-CZ2 4.23Å; F274-W287 HydrophobicContact CE1-CZ3 4.42Å; F274-W287 HydrophobicContact CG-CH2 4.3Å; F274-W287 HydrophobicContact CZ-CH2 4.42Å; I277-W287 HydrophobicContact CD1-CD2 4.33Å; I277-W287 HydrophobicContact CD1-CZ2 4.06Å; I277-W287 HydrophobicContact CG2-CB 4.04Å; I277-W287 HydrophobicContact CG2-CD2 4.01Å; I277-W287 HydrophobicContact CG2-CE3 4.35Å; I277-W287 HydrophobicContact CG2-CG 3.84Å; L281-W287 HydrophobicContact CD1-CB 4.03Å; W287-N289 HydrophobicContact CZ2-CB 4.21Å; W287-M317 HydrophobicContact CE3-SD 4.22Å; W287-M317 HydrophobicContact CH2-CG 4.07Å; W287-M317 HydrophobicContact CH2-SD 3.43Å; W287-M317 WeakPolarHBondContact CH2-SD 3.4Å; W287-M317 HydrophobicContact CZ3-CG 3.7Å; W287-M317 HydrophobicContact CZ3-SD 3.26Å; W287-M317 WeakPolarHBondContact CZ3-SD 3.41Å; W287-F322 HydrophobicContact CB-CE1 4.18Å; W287-F322 HydrophobicContact CE3-CD1 4.43Å; W287-F322 HydrophobicContact CE3-CD2 4.05Å; W287-F322 HydrophobicContact CE3-CE1 4.12Å; W287-F322 AromaticContact CE3-CE2 3.7Å; W287-F322 HydrophobicContact CE3-CE2 3.7Å; W287-F322 HydrophobicContact CE3-CG 4.39Å; W287-F322 AromaticContact CE3-CZ 3.73Å; W287-F322 HydrophobicContact CE3-CZ 3.73Å; W287-F322 HydrophobicContact CZ3-CD2 4.13Å; W287-F322 AromaticContact CZ3-CE2 3.91Å; W287-F322 HydrophobicContact CZ3-CE2 3.91Å; W287-F322 HydrophobicContact CZ3-CZ 4.39Å; W287-F352 AromaticContact CD2-CE2 3.96Å; W287-F352 HydrophobicContact CD2-CE2 3.96Å; W287-F352 AromaticContact CE2-CE2 3.8Å; W287-F352 HydrophobicContact CE3-CE2 4.01Å; W287-F352 AromaticContact CH2-CE2 3.71Å; W287-F352 HydrophobicContact CH2-CE2 3.71Å; W287-F352 AromaticContact CH2-CZ 3.58Å; W287-F352 HydrophobicContact CH2-CZ 3.58Å; W287-F352 AromaticContact CZ2-CE2 3.66Å; W287-F352 HydrophobicContact CZ2-CE2 3.66Å; W287-F352 AromaticContact CZ2-CZ 3.54Å; W287-F352 HydrophobicContact CZ2-CZ 3.54Å; W287-F352 AromaticContact CZ3-CE2 3.92Å; W287-F352 HydrophobicContact CZ3-CE2 3.92Å; W287-F352 HydrophobicContact CZ3-CZ 4.21Å; W287-V353 WeakPolarHBondContact O-CA 3.43Å; W287-C354 HydrophobicContact CB-CB 4.39Å; W287-C354 HydrophobicContact CE3-CB 4.35Å; W287-C354 PolarHBondContact N-O 2.64Å; W287-C354 PolarHBondContact O-N 3.44Å
288I98.9Very high96.6Very high0 Ų031.1 Ų31.10%016%0.161CC..EExtended strand (participates in β ladder)trans-114122.5175.1-53167000108.8V134 E137 A138 L141 L257 V258 T259 T260 Y351 F352 V353V134-I288 HydrophobicContact CB-CG2 4.21Å; V134-I288 HydrophobicContact CG1-CB 4.21Å; V134-I288 HydrophobicContact CG1-CG2 3.92Å; V134-I288 HydrophobicContact CG2-CG2 3.98Å; E137-I288 HydrophobicContact CB-CD1 3.94Å; E137-I288 HydrophobicContact CG-CD1 3.73Å; E137-I288 HydrophobicContact CG-CG1 4.24Å; A138-I288 HydrophobicContact CB-CD1 4.39Å; L141-I288 HydrophobicContact CD1-CD1 4.14Å; L257-I288 HydrophobicContact CD1-CD1 3.65Å; L257-I288 HydrophobicContact CD1-CG1 3.77Å; L257-I288 HydrophobicContact CD2-CD1 4.27Å; V258-I288 PolarHBondContact O-N 3.26Å; T259-I288 CarbonylContact C-O 3.56Å; T259-I288 VanDerWaalsContact CA-O 3.25Å; T259-I288 WeakPolarHBondContact CA-O 3.46Å; T259-I288 HydrophobicContact CG2-CB 4.29Å; T259-I288 HydrophobicContact CG2-CD1 4.48Å; T260-I288 PolarHBondContact N-O 3.3Å; I288-Y351 HydrophobicContact CG2-CD2 4.46Å; I288-Y351 HydrophobicContact CG2-CE2 3.54Å; I288-F352 WeakPolarHBondContact CA-O 3.49Å; I288-V353 HydrophobicContact CG1-CG1 4.28Å; I288-V353 HydrophobicContact CG1-CG2 4.46Å; I288-V353 HydrophobicContact CG2-CG2 4.43Å
289N98.7Very high96Very high0 Ų037.1 Ų37.10%020%0.195CC..EExtended strand (participates in β ladder)trans-113.9144.9177.5179.669.9000111.6T260 W287 Y351 F352T260-N289 CarbonylContact O-C 3.56Å; T260-N289 WeakPolarHBondContact O-CA 3.46Å; T260-N289 PolarHBondContact O-OD1 3.12Å; T260-N289 WeakPolarHBondContact OG1-CB 3.34Å; T260-N289 PolarHBondContact OG1-OD1 3.49Å; W287-N289 HydrophobicContact CZ2-CB 4.21Å; N289-Y351 VanDerWaalsContact O-CA 3.3Å; N289-Y351 WeakPolarHBondContact O-CA 3.46Å; N289-Y351 WeakPolarHBondContact O-CD2 3.34Å; N289-F352 HydrophobicContact CB-CD1 3.96Å; N289-F352 HydrophobicContact CB-CD2 3.85Å; N289-F352 HydrophobicContact CB-CE1 3.52Å; N289-F352 HydrophobicContact CB-CE2 3.37Å; N289-F352 HydrophobicContact CB-CG 4.13Å; N289-F352 HydrophobicContact CB-CZ 3.2Å; N289-F352 PolarHBondContact N-O 3.08Å; N289-F352 WeakPolarHBondContact ND2-CE1 3.44Å; N289-F352 PolarHBondContact O-N 3.34Å; N289-F352 VanDerWaalsContact O-N 3.11Å
290M98.2Very high95.6Very high0 Ų037.5 Ų37.50%020%0.2CC..EExtended strand (participates in β ladder)trans-146.5112.2171.117954.1-177.700111.1G129 V134 T260 V261 F262 I331 T333 C349 V350 Y351G129-M290 VanDerWaalsContact O-CE 3.31Å; G129-M290 WeakPolarHBondContact O-CE 3.27Å; V134-M290 HydrophobicContact CG2-CB 3.76Å; T260-M290 PolarHBondContact O-N 3.31Å; V261-M290 CarbonylContact C-O 3.6Å; V261-M290 VanDerWaalsContact CA-O 3.22Å; V261-M290 WeakPolarHBondContact CA-O 3.36Å; V261-M290 HydrophobicContact CG1-CB 4.4Å; V261-M290 HydrophobicContact CG2-CB 4.27Å; F262-M290 PolarHBondContact N-O 2.91Å; M290-I331 HydrophobicContact CE-CB 3.94Å; M290-I331 HydrophobicContact CE-CD1 4.31Å; M290-I331 HydrophobicContact CE-CG2 3.56Å; M290-I331 HydrophobicContact SD-CD1 4.21Å; M290-T333 VanDerWaalsContact CE-OG1 3.32Å; M290-T333 WeakPolarHBondContact CE-OG1 3.23Å; M290-C349 HydrophobicContact CE-CB 3.5Å; M290-C349 VanDerWaalsContact CE-CB 3.5Å; M290-C349 HydrophobicContact SD-CB 3.88Å; M290-V350 WeakPolarHBondContact CA-O 3.45Å; M290-Y351 HydrophobicContact CB-CD2 4.21Å; M290-Y351 HydrophobicContact SD-CD2 4.28Å
291G97.7Very high95.2Very high1 Ų143.9 Ų43.91%0.0124%0.242CC..EExtended strand (participates in β ladder)trans174.8173.2177.400000114.5C349 V350G291-C349 WeakPolarHBondContact O-CA 3.42Å; G291-V350 PolarHBondContact N-O 3.09Å; G291-V350 VanDerWaalsContact N-O 3.08Å; G291-V350 WeakPolarHBondContact O-CG2 3.41Å; G291-V350 PolarHBondContact O-N 3.43Å
292P96.7Very high94.8Very high12 Ų1247.8 Ų47.88%0.07828%0.282CS..  trans-80.6-174164.936.9-33.2000110.9F262 L294 Y347F262-P292 VanDerWaalsContact CD1-CD 3.45Å; F262-P292 HydrophobicContact CD1-CG 3.86Å; F262-P292 HydrophobicContact CE1-CG 3.66Å; F262-P292 HydrophobicContact CZ-CG 4.37Å; P292-L294 HydrophobicContact CG-CB 4.47Å; P292-Y347 HydrophobicContact CB-CD1 3.66Å; P292-Y347 HydrophobicContact CB-CE1 4.41Å; P292-Y347 HydrophobicContact CB-CG 4.02Å; P292-Y347 HydrophobicContact CG-CD1 3.82Å; P292-Y347 HydrophobicContact CG-CE1 4.27Å; P292-Y347 HydrophobicContact CG-CG 3.98Å
293L95.1Very high94.4Very high46 Ų4649.5 Ų49.524%0.24129%0.291CS..  trans-117.155.3169.5-60175.5000109.7I264 Y295 I313I264-L293 HydrophobicContact CD1-CD2 3.93Å; I264-L293 HydrophobicContact CG1-CD2 4.3Å; L293-Y295 VanDerWaalsContact C-N 3.26Å; L293-Y295 HydrophobicContact CB-CD2 4.4Å; L293-Y295 HydrophobicContact CB-CE2 3.86Å; L293-Y295 WeakPolarHBondContact O-CD2 3.48Å; L293-Y295 PolarHBondContact O-N 2.95Å; L293-Y295 VanDerWaalsContact O-N 3.12Å; L293-I313 HydrophobicContact CD1-CD1 3.55Å; L293-I313 HydrophobicContact CD2-CD1 3.37Å; L293-I313 HydrophobicContact CG-CD1 4.11Å
294L94.1Very high94.1Very high99 Ų9952 Ų5252%0.51831%0.307SS..  trans-85.572.6176.6-177.463.8000109P292 H296 Y347P292-L294 HydrophobicContact CG-CB 4.47Å; L294-H296 PolarHBondContact O-N 3.22Å; L294-H296 VanDerWaalsContact O-N 3.07Å; L294-Y347 HydrophobicContact CB-CE1 4.45Å; L294-Y347 HydrophobicContact CD2-CE1 3.96Å; L294-Y347 VanDerWaalsContact CD2-OH 3.31Å; L294-Y347 WeakPolarHBondContact CD2-OH 3.44Å
295Y94.4Very high93.9Very high24 Ų2452.3 Ų52.39%0.09431%0.306CS..  trans-49.7115.6-174.6-71.5-77.6000112.1D265 I270 L293 F297 A298 E307 L308D265-Y295 WeakPolarHBondContact O-CA 3.42Å; I270-Y295 HydrophobicContact CD1-CE1 4.02Å; L293-Y295 VanDerWaalsContact C-N 3.26Å; L293-Y295 HydrophobicContact CB-CD2 4.4Å; L293-Y295 HydrophobicContact CB-CE2 3.86Å; L293-Y295 WeakPolarHBondContact O-CD2 3.48Å; L293-Y295 PolarHBondContact O-N 2.95Å; L293-Y295 VanDerWaalsContact O-N 3.12Å; Y295-F297 PolarHBondContact O-N 3.42Å; Y295-A298 PolarHBondContact O-N 3.21Å; Y295-E307 HydrophobicContact CD1-CG 4.46Å; Y295-E307 HydrophobicContact CD2-CB 3.67Å; Y295-E307 HydrophobicContact CD2-CG 3.67Å; Y295-E307 HydrophobicContact CE2-CB 3.77Å; Y295-E307 HydrophobicContact CE2-CG 4.28Å; Y295-E307 HydrophobicContact CG-CB 4.18Å; Y295-E307 HydrophobicContact CG-CG 3.78Å; Y295-L308 WeakPolarHBondContact CE2-O 3.31Å; Y295-L308 WeakPolarHBondContact OH-CA 3.46Å; Y295-L308 PolarHBondContact OH-N 3.41Å; Y295-L308 PolarHBondContact OH-O 3.4Å
296H89.2Confident93.6Very high112 Ų11255.7 Ų55.752%0.51932%0.322SS..THydrogen-bonded Turntrans-59.1-37.8-170.9-174.165.4000112.2D265 L294 M300D265-H296 PolarHBondContact O-N 2.89Å; L294-H296 PolarHBondContact O-N 3.22Å; L294-H296 VanDerWaalsContact O-N 3.07Å; H296-M300 WeakPolarHBondContact CD2-CE 3.5Å; H296-M300 WeakPolarHBondContact NE2-CE 3.46Å; H296-M300 VanDerWaalsContact O-CE 3.23Å; H296-M300 WeakPolarHBondContact O-CE 2.99Å
297F89.4Confident93.5Very high33 Ų3357.3 Ų57.315%0.14533%0.332CS..THydrogen-bonded Turntrans-96.3-8.8-172.3-57.8-81000114.7T266 N268 Y295 D299 M300 E303T266-F297 VanDerWaalsContact O-CE2 3.28Å; T266-F297 WeakPolarHBondContact O-CE2 3.47Å; N268-F297 HydrophobicContact CB-CD2 4.49Å; N268-F297 WeakPolarHBondContact ND2-CG 3.22Å; N268-F297 WeakPolarHBondContact OD1-CE2 3.42Å; Y295-F297 PolarHBondContact O-N 3.42Å; F297-D299 VanDerWaalsContact C-N 3.26Å; F297-D299 PolarHBondContact O-N 3Å; F297-D299 VanDerWaalsContact O-N 3.14Å; F297-M300 HydrophobicContact CB-CE 4.32Å; F297-M300 HydrophobicContact CD1-CE 3.19Å; F297-M300 HydrophobicContact CE1-CE 3.62Å; F297-M300 HydrophobicContact CG-CE 3.91Å; F297-M300 PolarHBondContact O-N 2.88Å; F297-E303 HydrophobicContact CB-CB 4.08Å; F297-E303 HydrophobicContact CD1-CB 3.89Å; F297-E303 HydrophobicContact CD1-CG 3.92Å; F297-E303 HydrophobicContact CG-CB 4.4Å
298A90.2Very high93.4Very high46 Ų4658.7 Ų58.738%0.3834%0.339SS..THydrogen-bonded Turntrans-56.7-37-171.600000113.8Y295 E307Y295-A298 PolarHBondContact O-N 3.21Å; A298-E307 WeakPolarHBondContact CA-OE1 3.22Å; A298-E307 HydrophobicContact CB-CG 3.87Å; A298-E307 WeakPolarHBondContact CB-OE1 3.35Å
299D88.1Confident93.3Very high158 Ų15861.3 Ų61.385%0.84536%0.361SS*.THydrogen-bonded Turntrans-104.310.8-179.4-66.1-45.5000113.1F297 P301F297-D299 VanDerWaalsContact C-N 3.26Å; F297-D299 PolarHBondContact O-N 3Å; F297-D299 VanDerWaalsContact O-N 3.14Å; D299-P301 WeakPolarHBondContact O-CD 3.43Å
300M89.8Confident93.2Very high71 Ų7163.5 Ų63.535%0.3537%0.369SS..SBendtrans-94.4112.9-178.5-69.6-151.8-84.800111.5H296 F297 G302 E303H296-M300 WeakPolarHBondContact CD2-CE 3.5Å; H296-M300 WeakPolarHBondContact NE2-CE 3.46Å; H296-M300 VanDerWaalsContact O-CE 3.23Å; H296-M300 WeakPolarHBondContact O-CE 2.99Å; F297-M300 HydrophobicContact CB-CE 4.32Å; F297-M300 HydrophobicContact CD1-CE 3.19Å; F297-M300 HydrophobicContact CE1-CE 3.62Å; F297-M300 HydrophobicContact CG-CE 3.91Å; F297-M300 PolarHBondContact O-N 2.88Å; M300-G302 PolarHBondContact O-N 3.11Å; M300-E303 HydrophobicContact CB-CB 4.04Å; M300-E303 HydrophobicContact CB-CG 3.88Å; M300-E303 PolarHBondContact O-N 2.93Å
301P88.8Confident93.2Very high135 Ų13570.6 Ų70.688%0.87740%0.403SS*.THydrogen-bonded Turntrans-61.5124.2-177.5-23.734.5000112.6D299D299-P301 WeakPolarHBondContact O-CD 3.43Å
302G91.2Very high93.2Very high82 Ų8274.1 Ų74.185%0.84542%0.419SS*.THydrogen-bonded Turntrans91.6-7.4177.200000114.8M300M300-G302 PolarHBondContact O-N 3.11Å
303E90.6Very high93.2Very high96 Ų9673.5 Ų73.545%0.44942%0.415SS..  trans-89.5126.8175.8-67.4-66159.400110.2F297 M300F297-E303 HydrophobicContact CB-CB 4.08Å; F297-E303 HydrophobicContact CD1-CB 3.89Å; F297-E303 HydrophobicContact CD1-CG 3.92Å; F297-E303 HydrophobicContact CG-CB 4.4Å; M300-E303 HydrophobicContact CB-CB 4.04Å; M300-E303 HydrophobicContact CB-CG 3.88Å; M300-E303 PolarHBondContact O-N 2.93Å
304P91.5Very high93.4Very high92 Ų9272.2 Ų72.260%0.59741%0.409SS*.  trans-70.4138.7172.829.8-32.7000109.8N268N268-P304 VanDerWaalsContact CB-O 3.28Å; N268-P304 WeakPolarHBondContact CB-O 3.15Å; N268-P304 PolarHBondContact ND2-O 2.9Å
305S92.7Very high93.6Very high29 Ų2970.7 Ų70.720%0.20340%0.401CS..  trans-151.5139.6-179.8-176.20000110.3N268 E307N268-S305 CarbonylContact O-C 3.56Å; N268-S305 VanDerWaalsContact O-CA 3.3Å; N268-S305 WeakPolarHBondContact O-CA 3.41Å; S305-E307 WeakPolarHBondContact CB-OE1 3.05Å; S305-E307 PolarHBondContact OG-OE1 3.27Å
306I93.5Very high93.7Very high75 Ų7570.5 Ų70.539%0.38540%0.402SS..BIsolated β-bridgetrans-116.6106.7174.9-61.7177.9000108.3N268 N269 L308N268-I306 PolarHBondContact O-N 2.73Å; N269-I306 HydrophobicContact CB-CD1 4.43Å; I306-L308 HydrophobicContact CG2-CD2 3.87Å; I306-L308 HydrophobicContact CG2-CG 4.2Å; I306-L308 PolarHBondContact O-N 3.14Å
307E95.7Very high94.1Very high93 Ų9365.2 Ų65.244%0.43538%0.378SS..  trans-94.497.5-179.3-55.574.1-155.700111.4Y295 A298 S305Y295-E307 HydrophobicContact CD1-CG 4.46Å; Y295-E307 HydrophobicContact CD2-CB 3.67Å; Y295-E307 HydrophobicContact CD2-CG 3.67Å; Y295-E307 HydrophobicContact CE2-CB 3.77Å; Y295-E307 HydrophobicContact CE2-CG 4.28Å; Y295-E307 HydrophobicContact CG-CB 4.18Å; Y295-E307 HydrophobicContact CG-CG 3.78Å; A298-E307 WeakPolarHBondContact CA-OE1 3.22Å; A298-E307 HydrophobicContact CB-CG 3.87Å; A298-E307 WeakPolarHBondContact CB-OE1 3.35Å; S305-E307 WeakPolarHBondContact CB-OE1 3.05Å; S305-E307 PolarHBondContact OG-OE1 3.27Å
308L97Very high94.5Very high29 Ų2968.5 Ų68.515%0.15239%0.394CS..  trans-84.1139.3172.7-58.2-172.9000111.4I270 I271 Y295 I306 E312 I313 V316I270-L308 HydrophobicContact CG2-CD1 3.7Å; I270-L308 HydrophobicContact CG2-CG 3.92Å; I271-L308 HydrophobicContact CG1-CD1 4.44Å; Y295-L308 WeakPolarHBondContact CE2-O 3.31Å; Y295-L308 WeakPolarHBondContact OH-CA 3.46Å; Y295-L308 PolarHBondContact OH-N 3.41Å; Y295-L308 PolarHBondContact OH-O 3.4Å; I306-L308 HydrophobicContact CG2-CD2 3.87Å; I306-L308 HydrophobicContact CG2-CG 4.2Å; I306-L308 PolarHBondContact O-N 3.14Å; L308-E312 HydrophobicContact CB-CB 4.4Å; L308-E312 HydrophobicContact CD1-CG 4.4Å; L308-E312 HydrophobicContact CD2-CG 4.06Å; L308-I313 HydrophobicContact CB-CD1 4.45Å; L308-I313 HydrophobicContact CB-CG1 3.77Å; L308-I313 HydrophobicContact CD1-CG1 4.41Å; L308-V316 HydrophobicContact CD1-CG2 4.08Å
309A97.1Very high94.9Very high55 Ų5575.5 Ų75.546%0.45541%0.41SS..  trans-69.8158.8164.900000110.4E311 E312 I313A309-E311 VanDerWaalsContact C-N 3.27Å; A309-E311 HydrophobicContact CB-CG 4.25Å; A309-E311 PolarHBondContact O-N 2.97Å; A309-E312 PolarHBondContact O-N 2.92Å; A309-E312 VanDerWaalsContact O-N 3.11Å; A309-I313 PolarHBondContact O-N 3.23Å
310Y97.3Very high95.3Very high45 Ų4569.4 Ų69.418%0.17638%0.379CS..Hα-helixtrans-60.6-35.2-178.5-177.7-116.9000113.4E312 I313 V314 Q327 V350 F352Y310-E312 VanDerWaalsContact C-N 3.34Å; Y310-E312 PolarHBondContact O-N 3.44Å; Y310-I313 PolarHBondContact O-N 3.37Å; Y310-V314 HydrophobicContact CE1-CG2 4.11Å; Y310-V314 HydrophobicContact CE2-CG2 4.13Å; Y310-V314 WeakPolarHBondContact O-CG2 3.42Å; Y310-V314 PolarHBondContact O-N 3.11Å; Y310-V314 VanDerWaalsContact O-N 3.07Å; Y310-Q327 PolarHBondContact OH-OE1 3.19Å; Y310-V350 HydrophobicContact CD1-CG1 3.99Å; Y310-V350 HydrophobicContact CD2-CB 4.1Å; Y310-V350 HydrophobicContact CD2-CG1 3.96Å; Y310-V350 HydrophobicContact CD2-CG2 3.78Å; Y310-V350 HydrophobicContact CE1-CB 4.45Å; Y310-V350 HydrophobicContact CE1-CG1 4.01Å; Y310-V350 HydrophobicContact CE2-CB 3.77Å; Y310-V350 HydrophobicContact CE2-CG1 4Å; Y310-V350 HydrophobicContact CE2-CG2 3.71Å; Y310-V350 HydrophobicContact CG-CG1 3.95Å; Y310-F352 AromaticContact CE2-CD1 3.98Å; Y310-F352 HydrophobicContact CE2-CD1 3.98Å; Y310-F352 HydrophobicContact CE2-CE1 4.22Å
311E97Very high95.7Very high150 Ų15067.2 Ų67.270%0.70137%0.374SS*.Hα-helixtrans-59.9-44.4175.164.9-175.7-178.500111.7A309 V314 D315A309-E311 VanDerWaalsContact C-N 3.27Å; A309-E311 HydrophobicContact CB-CG 4.25Å; A309-E311 PolarHBondContact O-N 2.97Å; E311-V314 PolarHBondContact O-N 2.6Å; E311-D315 PolarHBondContact O-N 2.78Å
312E97.8Very high96.2Very high74 Ų7461 Ų6135%0.34633%0.334SS..Hα-helixtrans-70.5-34.1178.3-167.165.8-15600111.3L308 A309 Y310 V314 D315 V316L308-E312 HydrophobicContact CB-CB 4.4Å; L308-E312 HydrophobicContact CD1-CG 4.4Å; L308-E312 HydrophobicContact CD2-CG 4.06Å; A309-E312 PolarHBondContact O-N 2.92Å; A309-E312 VanDerWaalsContact O-N 3.11Å; Y310-E312 VanDerWaalsContact C-N 3.34Å; Y310-E312 PolarHBondContact O-N 3.44Å; E312-V314 VanDerWaalsContact C-N 3.31Å; E312-V314 PolarHBondContact O-N 3.46Å; E312-D315 PolarHBondContact O-N 3.49Å; E312-V316 HydrophobicContact CG-CG2 4.24Å; E312-V316 WeakPolarHBondContact O-CB 3.34Å; E312-V316 VanDerWaalsContact O-CG2 3.27Å; E312-V316 WeakPolarHBondContact O-CG2 3.16Å; E312-V316 PolarHBondContact O-N 3.26Å
313I97.7Very high96.5Very high0 Ų062.8 Ų62.80%032%0.315CS..Hα-helixtrans-58.4-44.8172.5-72.4176000110.5I270 F274 L293 L308 A309 Y310 D315 V316 M317I270-I313 HydrophobicContact CD1-CD1 3.88Å; I270-I313 HydrophobicContact CD1-CG1 4.42Å; F274-I313 HydrophobicContact CE2-CG1 4.47Å; F274-I313 HydrophobicContact CE2-CG2 4.14Å; F274-I313 HydrophobicContact CZ-CB 4.42Å; F274-I313 HydrophobicContact CZ-CG1 4.19Å; F274-I313 HydrophobicContact CZ-CG2 3.72Å; L293-I313 HydrophobicContact CD1-CD1 3.55Å; L293-I313 HydrophobicContact CD2-CD1 3.37Å; L293-I313 HydrophobicContact CG-CD1 4.11Å; L308-I313 HydrophobicContact CB-CD1 4.45Å; L308-I313 HydrophobicContact CB-CG1 3.77Å; L308-I313 HydrophobicContact CD1-CG1 4.41Å; A309-I313 PolarHBondContact O-N 3.23Å; Y310-I313 PolarHBondContact O-N 3.37Å; I313-D315 VanDerWaalsContact C-N 3.35Å; I313-D315 PolarHBondContact O-N 3.49Å; I313-V316 PolarHBondContact O-N 2.76Å; I313-M317 HydrophobicContact CG2-CE 3.73Å; I313-M317 HydrophobicContact CG2-CG 4.25Å; I313-M317 HydrophobicContact CG2-SD 3.97Å; I313-M317 WeakPolarHBondContact O-CB 3.29Å; I313-M317 WeakPolarHBondContact O-CG 3.4Å; I313-M317 PolarHBondContact O-N 2.79Å
314V97.7Very high96.9Very high18 Ų1860.1 Ų60.111%0.10930%0.303CS..Hα-helixtrans-60-46.2177173.90000111.1Y310 E311 E312 M317 Q318 L324Y310-V314 HydrophobicContact CE1-CG2 4.11Å; Y310-V314 HydrophobicContact CE2-CG2 4.13Å; Y310-V314 WeakPolarHBondContact O-CG2 3.42Å; Y310-V314 PolarHBondContact O-N 3.11Å; Y310-V314 VanDerWaalsContact O-N 3.07Å; E311-V314 PolarHBondContact O-N 2.6Å; E312-V314 VanDerWaalsContact C-N 3.31Å; E312-V314 PolarHBondContact O-N 3.46Å; V314-M317 HydrophobicContact CB-CE 4.46Å; V314-M317 HydrophobicContact CG2-CE 4.14Å; V314-Q318 WeakPolarHBondContact O-CG 3.26Å; V314-Q318 PolarHBondContact O-N 2.75Å; V314-L324 HydrophobicContact CG1-CD2 4.12Å
315D98Very high97.2Very high68 Ų6859.3 Ų59.336%0.36429%0.294SS..Hα-helixtrans-63.3-45.7179-76.93.5000112.2E311 E312 I313 Q318 R319E311-D315 PolarHBondContact O-N 2.78Å; E312-D315 PolarHBondContact O-N 3.49Å; I313-D315 VanDerWaalsContact C-N 3.35Å; I313-D315 PolarHBondContact O-N 3.49Å; D315-Q318 PolarHBondContact O-N 3.05Å; D315-R319 WeakPolarHBondContact O-CG 3.39Å; D315-R319 PolarHBondContact O-N 2.76Å
316V98.2Very high97.4Very high19 Ų1963.6 Ų63.612%0.11531%0.306CS..Hα-helixtrans-65.7-44.4179.8174.40000110.9I271 F274 L308 E312 I313 Q318 R319 V320I271-V316 HydrophobicContact CG1-CG1 4.2Å; I271-V316 HydrophobicContact CG2-CG1 4.42Å; F274-V316 HydrophobicContact CD2-CG1 3.82Å; F274-V316 HydrophobicContact CE2-CB 4.47Å; F274-V316 HydrophobicContact CE2-CG1 4.19Å; L308-V316 HydrophobicContact CD1-CG2 4.08Å; E312-V316 HydrophobicContact CG-CG2 4.24Å; E312-V316 WeakPolarHBondContact O-CB 3.34Å; E312-V316 VanDerWaalsContact O-CG2 3.27Å; E312-V316 WeakPolarHBondContact O-CG2 3.16Å; E312-V316 PolarHBondContact O-N 3.26Å; I313-V316 PolarHBondContact O-N 2.76Å; V316-Q318 VanDerWaalsContact C-N 3.25Å; V316-Q318 PolarHBondContact O-N 3.21Å; V316-R319 CarbonylContact O-C 3.53Å; V316-R319 PolarHBondContact O-N 3.43Å; V316-V320 HydrophobicContact CG1-CG2 4.35Å; V316-V320 WeakPolarHBondContact O-CG2 3.47Å; V316-V320 PolarHBondContact O-N 3.32Å
317M97.3Very high97.6Very high2 Ų264.3 Ų64.31%0.0131%0.308CS..Hα-helixtrans-57.2-41.2177.4-73-175.2-57.600111.7F274 W287 I313 V314 V320 G321 F322 F352F274-M317 HydrophobicContact CD2-CG 4.04Å; F274-M317 HydrophobicContact CE2-CG 4.03Å; F274-M317 HydrophobicContact CG-CG 4.33Å; F274-M317 HydrophobicContact CZ-CG 4.33Å; W287-M317 HydrophobicContact CE3-SD 4.22Å; W287-M317 HydrophobicContact CH2-CG 4.07Å; W287-M317 HydrophobicContact CH2-SD 3.43Å; W287-M317 WeakPolarHBondContact CH2-SD 3.4Å; W287-M317 HydrophobicContact CZ3-CG 3.7Å; W287-M317 HydrophobicContact CZ3-SD 3.26Å; W287-M317 WeakPolarHBondContact CZ3-SD 3.41Å; I313-M317 HydrophobicContact CG2-CE 3.73Å; I313-M317 HydrophobicContact CG2-CG 4.25Å; I313-M317 HydrophobicContact CG2-SD 3.97Å; I313-M317 WeakPolarHBondContact O-CB 3.29Å; I313-M317 WeakPolarHBondContact O-CG 3.4Å; I313-M317 PolarHBondContact O-N 2.79Å; V314-M317 HydrophobicContact CB-CE 4.46Å; V314-M317 HydrophobicContact CG2-CE 4.14Å; M317-V320 PolarHBondContact O-N 3.48Å; M317-G321 PolarHBondContact O-N 3.04Å; M317-F322 HydrophobicContact CB-CB 4.45Å; M317-F322 HydrophobicContact CB-CD2 4.41Å; M317-F322 WeakPolarHBondContact O-CB 3.41Å; M317-F322 PolarHBondContact O-N 3.01Å; M317-F352 HydrophobicContact CE-CD1 4.46Å; M317-F352 HydrophobicContact CE-CD2 4.41Å; M317-F352 HydrophobicContact CE-CE1 4.15Å; M317-F352 HydrophobicContact CE-CE2 4.11Å; M317-F352 HydrophobicContact CE-CZ 3.96Å; M317-F352 HydrophobicContact SD-CD2 4.27Å; M317-F352 HydrophobicContact SD-CE1 4.14Å; M317-F352 HydrophobicContact SD-CE2 3.48Å; M317-F352 WeakPolarHBondContact SD-CE2 3.46Å; M317-F352 HydrophobicContact SD-CZ 3.39Å; M317-F352 WeakPolarHBondContact SD-CZ 3.37Å
318Q97.4Very high97.7Very high101 Ų10165.1 Ų65.147%0.47231%0.31SS..Hα-helixtrans-66.4-39.2176.2-71.4-179.5-31.200112.2V314 D315 V316 V320 G321V314-Q318 WeakPolarHBondContact O-CG 3.26Å; V314-Q318 PolarHBondContact O-N 2.75Å; D315-Q318 PolarHBondContact O-N 3.05Å; V316-Q318 VanDerWaalsContact C-N 3.25Å; V316-Q318 PolarHBondContact O-N 3.21Å; Q318-V320 VanDerWaalsContact C-N 3.34Å; Q318-G321 PolarHBondContact O-N 2.91Å; Q318-G321 VanDerWaalsContact O-N 3.09Å
319R97.9Very high97.6Very high193 Ų19366.5 Ų66.573%0.72833%0.325SS*.Hα-helixtrans-68.8-29.6175.7-68.8175.6-167.4-17211.3113.5D315 V316 G321D315-R319 WeakPolarHBondContact O-CG 3.39Å; D315-R319 PolarHBondContact O-N 2.76Å; V316-R319 CarbonylContact O-C 3.53Å; V316-R319 PolarHBondContact O-N 3.43Å; R319-G321 PolarHBondContact O-N 2.75Å
320V97.8Very high97.5Very high31 Ų3168 Ų6819%0.18833%0.326CS..Hα-helixtrans-67-25.3170.3168.70000111.3F274 E275 Y278 V316 M317 Q318 F322F274-V320 HydrophobicContact CB-CG2 4.2Å; E275-V320 HydrophobicContact CG-CG2 4.19Å; Y278-V320 HydrophobicContact CD2-CG1 4.15Å; Y278-V320 HydrophobicContact CG-CG1 3.89Å; V316-V320 HydrophobicContact CG1-CG2 4.35Å; V316-V320 WeakPolarHBondContact O-CG2 3.47Å; V316-V320 PolarHBondContact O-N 3.32Å; M317-V320 PolarHBondContact O-N 3.48Å; Q318-V320 VanDerWaalsContact C-N 3.34Å; V320-F322 HydrophobicContact CG1-CD2 4.19Å; V320-F322 HydrophobicContact CG1-CE2 4.14Å
321G97.8Very high97.5Very high25 Ų2567.1 Ų67.126%0.25832%0.324SS..THydrogen-bonded Turntrans121.90.2177.100000114.3Y278 M317 Q318 R319 P357Y278-G321 VanDerWaalsContact CE2-C 3.5Å; M317-G321 PolarHBondContact O-N 3.04Å; Q318-G321 PolarHBondContact O-N 2.91Å; Q318-G321 VanDerWaalsContact O-N 3.09Å; R319-G321 PolarHBondContact O-N 2.75Å; G321-P357 VanDerWaalsContact O-CD 3.23Å; G321-P357 WeakPolarHBondContact O-CD 3.41Å
322F98.4Very high97.4Very high5 Ų564.4 Ų64.42%0.02232%0.319CS..  trans-72135.8178.2-74.6-70.7000112.4I277 Y278 L281 W287 M317 V320 C354I277-F322 HydrophobicContact CB-CZ 4.38Å; I277-F322 HydrophobicContact CG2-CZ 3.92Å; Y278-F322 HydrophobicContact CD2-CD1 4.07Å; Y278-F322 HydrophobicContact CD2-CD2 4.06Å; Y278-F322 AromaticContact CD2-CE1 3.9Å; Y278-F322 HydrophobicContact CD2-CE1 3.9Å; Y278-F322 AromaticContact CD2-CE2 3.9Å; Y278-F322 HydrophobicContact CD2-CE2 3.9Å; Y278-F322 HydrophobicContact CD2-CG 4.15Å; Y278-F322 AromaticContact CD2-CZ 3.81Å; Y278-F322 HydrophobicContact CD2-CZ 3.81Å; Y278-F322 HydrophobicContact CG-CE2 4.36Å; Y278-F322 HydrophobicContact CG-CZ 4.3Å; L281-F322 HydrophobicContact CD1-CE1 3.75Å; L281-F322 HydrophobicContact CD1-CZ 4.22Å; W287-F322 HydrophobicContact CB-CE1 4.18Å; W287-F322 HydrophobicContact CE3-CD1 4.43Å; W287-F322 HydrophobicContact CE3-CD2 4.05Å; W287-F322 HydrophobicContact CE3-CE1 4.12Å; W287-F322 AromaticContact CE3-CE2 3.7Å; W287-F322 HydrophobicContact CE3-CE2 3.7Å; W287-F322 HydrophobicContact CE3-CG 4.39Å; W287-F322 AromaticContact CE3-CZ 3.73Å; W287-F322 HydrophobicContact CE3-CZ 3.73Å; W287-F322 HydrophobicContact CZ3-CD2 4.13Å; W287-F322 AromaticContact CZ3-CE2 3.91Å; W287-F322 HydrophobicContact CZ3-CE2 3.91Å; W287-F322 HydrophobicContact CZ3-CZ 4.39Å; M317-F322 HydrophobicContact CB-CB 4.45Å; M317-F322 HydrophobicContact CB-CD2 4.41Å; M317-F322 WeakPolarHBondContact O-CB 3.41Å; M317-F322 PolarHBondContact O-N 3.01Å; V320-F322 HydrophobicContact CG1-CD2 4.19Å; V320-F322 HydrophobicContact CG1-CE2 4.14Å; F322-C354 HydrophobicContact CB-CB 4Å; F322-C354 HydrophobicContact CD1-CB 3.82Å; F322-C354 HydrophobicContact CG-CB 4.08Å
323R97.9Very high97.3Very high119 Ų11961 Ų6145%0.44930%0.304SS..EExtended strand (participates in β ladder)trans-90.7112.9164.8-173.5172.865.8-154.6-6110L325 C354 A355 E361R323-L325 HydrophobicContact CG-CD2 4.13Å; R323-L325 PolarHBondContact O-N 3.1Å; R323-C354 CarbonylContact O-C 3.58Å; R323-C354 WeakPolarHBondContact O-CA 3.42Å; R323-A355 PolarHBondContact N-O 3Å; R323-A355 PolarHBondContact O-N 3.3Å; R323-E361 IonicContact CZ-OE2 3.01Å; R323-E361 IonicContact NH1-OE2 3.8Å; R323-E361 PolarHBondContact NH1-OE2 2.91Å; R323-E361 IonicContact NH2-OE2 3.75Å
324L98Very high97.1Very high40 Ų4061.7 Ų61.721%0.20931%0.31CS..EExtended strand (participates in β ladder)trans-68.1117.3173-176.865.3000110.3V314 Y326 Q327 F352V314-L324 HydrophobicContact CG1-CD2 4.12Å; L324-Y326 WeakPolarHBondContact CD1-O 3.4Å; L324-Q327 HydrophobicContact CD1-CB 4.35Å; L324-Q327 HydrophobicContact CD2-CB 4.4Å; L324-Q327 HydrophobicContact CD2-CG 4.05Å; L324-F352 HydrophobicContact CD1-CB 3.9Å
325L98.1Very high97Very high75 Ų7564.1 Ų64.139%0.39332%0.318SS..EExtended strand (participates in β ladder)trans-94.9-37.7-179.8-57.1-173.5000112.3Y286 R323 V353 A355Y286-L325 HydrophobicContact CD1-CD1 4.06Å; Y286-L325 HydrophobicContact CE1-CD1 3.83Å; R323-L325 HydrophobicContact CG-CD2 4.13Å; R323-L325 PolarHBondContact O-N 3.1Å; L325-V353 WeakPolarHBondContact CB-O 3.48Å; L325-V353 HydrophobicContact CD1-CG1 4.41Å; L325-V353 PolarHBondContact N-O 3.4Å; L325-A355 HydrophobicContact CD1-CB 3.85Å; L325-A355 HydrophobicContact CD2-CB 4.28Å; L325-A355 HydrophobicContact CG-CB 4.11Å
326Y98.2Very high96.9Very high118 Ų11862 Ų6246%0.46331%0.308SS..EExtended strand (participates in β ladder)trans-155145.6-178.3-178.8-97.9000110.4L324 K328 Y351 F352 V353L324-Y326 WeakPolarHBondContact CD1-O 3.4Å; Y326-K328 HydrophobicContact CE1-CB 3.86Å; Y326-Y351 AromaticContact CD1-CD1 3.83Å; Y326-Y351 HydrophobicContact CD1-CD1 3.83Å; Y326-Y351 AromaticContact CD1-CE1 3.61Å; Y326-Y351 HydrophobicContact CD1-CE1 3.61Å; Y326-Y351 AromaticContact CE1-CD1 3.74Å; Y326-Y351 HydrophobicContact CE1-CD1 3.74Å; Y326-Y351 AromaticContact CE1-CE1 3.75Å; Y326-Y351 HydrophobicContact CE1-CE1 3.75Å; Y326-F352 CarbonylContact O-C 3.57Å; Y326-F352 VanDerWaalsContact O-CA 3.23Å; Y326-F352 WeakPolarHBondContact O-CA 3.44Å; Y326-F352 WeakPolarHBondContact O-CB 3.39Å; Y326-V353 PolarHBondContact N-O 3.19Å; Y326-V353 PolarHBondContact O-N 3.08Å
327Q97.8Very high96.6Very high91 Ų9163 Ų6343%0.42531%0.311SS..EExtended strand (participates in β ladder)trans-144.8151.4168.856.2172-3800111.1Y310 L324 Y351 F352Y310-Q327 PolarHBondContact OH-OE1 3.19Å; L324-Q327 HydrophobicContact CD1-CB 4.35Å; L324-Q327 HydrophobicContact CD2-CB 4.4Å; L324-Q327 HydrophobicContact CD2-CG 4.05Å; Q327-Y351 CarbonylContact C-O 3.58Å; Q327-Y351 VanDerWaalsContact CA-O 3.26Å; Q327-Y351 WeakPolarHBondContact CA-O 3.38Å; Q327-F352 HydrophobicContact CB-CB 4.03Å
328K97.3Very high96.5Very high110 Ų11063.3 Ų63.348%0.47831%0.313SS..EExtended strand (participates in β ladder)trans-148.1125.9174.1-177.4177.3178.9-176.90109.5Y326 I331 Y351Y326-K328 HydrophobicContact CE1-CB 3.86Å; K328-I331 HydrophobicContact CB-CD1 4.32Å; K328-I331 HydrophobicContact CD-CD1 4.05Å; K328-I331 HydrophobicContact CD-CG1 4.2Å; K328-I331 HydrophobicContact CG-CD1 4.1Å; K328-I331 HydrophobicContact CG-CG1 4.14Å; K328-Y351 PolarHBondContact N-O 3.2Å; K328-Y351 PolarHBondContact O-N 3.34Å
329A95.3Very high96.3Very high57 Ų5762.3 Ų62.347%0.47131%0.313SS..EExtended strand (participates in β ladder)trans-99.4178.2173.800000111.5I331 V350A329-I331 VanDerWaalsContact C-N 3.35Å; A329-I331 PolarHBondContact O-N 3.26Å; A329-V350 HydrophobicContact CB-CG1 4.17Å
330D94.9Very high96.1Very high88 Ų8855.1 Ų55.147%0.47129%0.293SS..EExtended strand (participates in β ladder)trans61.636.2173.2-15336.8000114.1P332 R348 C349D330-P332 VanDerWaalsContact O-CD 3.23Å; D330-P332 WeakPolarHBondContact O-CD 3.17Å; D330-R348 WeakPolarHBondContact OD1-CD 3.39Å; D330-R348 WeakPolarHBondContact OD1-CG 3.43Å; D330-R348 IonicContact OD1-CZ 3.04Å; D330-R348 IonicContact OD1-NE 2.67Å; D330-R348 PolarHBondContact OD1-NE 3.1Å; D330-R348 IonicContact OD1-NH1 3.64Å; D330-R348 PolarHBondContact OD1-NH1 3.43Å; D330-R348 IonicContact OD2-NH1 2.69Å; D330-R348 PolarHBondContact OD2-NH1 3.44Å; D330-C349 PolarHBondContact N-O 3.42Å
331I95.9Very high96.1Very high25 Ų2553.9 Ų53.913%0.12829%0.285CS..EExtended strand (participates in β ladder)trans-88107.7176.6-56.8175.6000109.3M290 K328 A329 T333 C349 Y351M290-I331 HydrophobicContact CE-CB 3.94Å; M290-I331 HydrophobicContact CE-CD1 4.31Å; M290-I331 HydrophobicContact CE-CG2 3.56Å; M290-I331 HydrophobicContact SD-CD1 4.21Å; K328-I331 HydrophobicContact CB-CD1 4.32Å; K328-I331 HydrophobicContact CD-CD1 4.05Å; K328-I331 HydrophobicContact CD-CG1 4.2Å; K328-I331 HydrophobicContact CG-CD1 4.1Å; K328-I331 HydrophobicContact CG-CG1 4.14Å; A329-I331 VanDerWaalsContact C-N 3.35Å; A329-I331 PolarHBondContact O-N 3.26Å; I331-T333 PolarHBondContact O-N 2.99Å; I331-T333 PolarHBondContact O-OG1 3.44Å; I331-C349 HydrophobicContact CB-CB 4.47Å; I331-C349 PolarHBondContact N-O 3.2Å; I331-C349 VanDerWaalsContact N-O 3.11Å; I331-C349 PolarHBondContact O-N 3.29Å; I331-Y351 VanDerWaalsContact CD1-CB 3.45Å; I331-Y351 HydrophobicContact CD1-CG 4.34Å
332P95.6Very high96Very high93 Ų9358.6 Ų58.660%0.60430%0.302SS*.EExtended strand (participates in β ladder)trans-69.9118.8-175.3-15.531.7000110.5D330 T346 Y347D330-P332 VanDerWaalsContact O-CD 3.23Å; D330-P332 WeakPolarHBondContact O-CD 3.17Å; P332-T346 HydrophobicContact CB-CG2 3.72Å; P332-Y347 CarbonylContact C-O 3.49Å; P332-Y347 VanDerWaalsContact CA-O 3.31Å; P332-Y347 WeakPolarHBondContact CA-O 3.29Å
333T94.9Very high95.9Very high3 Ų361.9 Ų61.92%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-138.8130.1-175.3-48.60000110.6F262 M290 I331 Y347F262-T333 HydrophobicContact CE2-CG2 3.97Å; F262-T333 HydrophobicContact CZ-CG2 3.98Å; M290-T333 VanDerWaalsContact CE-OG1 3.32Å; M290-T333 WeakPolarHBondContact CE-OG1 3.23Å; I331-T333 PolarHBondContact O-N 2.99Å; I331-T333 PolarHBondContact O-OG1 3.44Å; T333-Y347 PolarHBondContact N-O 2.69Å; T333-Y347 PolarHBondContact O-N 3.1Å
334G93.9Very high95.7Very high14 Ų1463 Ų6314%0.14432%0.324CS..  trans-82.6165.3170.700000111.9
335Y95.5Very high95.3Very high70 Ų7068.3 Ų68.328%0.27534%0.342SS..SBendtrans-145.3113.8173.3-169.5-86.7000110.3Q114 R117 E126 F262 Q337Q114-Y335 PolarHBondContact NE2-OH 3.46Å; R117-Y335 PolarHBondContact NH1-OH 3Å; E126-Y335 VanDerWaalsContact OE1-C 3.31Å; E126-Y335 WeakPolarHBondContact OE1-CA 3.44Å; E126-Y335 PolarHBondContact OE1-N 2.88Å; F262-Y335 HydrophobicContact CB-CD2 4.4Å; F262-Y335 HydrophobicContact CB-CE2 3.9Å; F262-Y335 AromaticContact CD1-CD2 3.28Å; F262-Y335 HydrophobicContact CD1-CD2 3.28Å; F262-Y335 AromaticContact CD1-CE2 3.58Å; F262-Y335 HydrophobicContact CD1-CE2 3.58Å; F262-Y335 HydrophobicContact CD1-CG 4.17Å; F262-Y335 HydrophobicContact CD2-CD2 4.36Å; F262-Y335 AromaticContact CE1-CD2 3.41Å; F262-Y335 HydrophobicContact CE1-CD2 3.41Å; F262-Y335 VanDerWaalsContact CE1-CD2 3.41Å; F262-Y335 HydrophobicContact CE1-CE2 4.2Å; F262-Y335 HydrophobicContact CE1-CG 4.02Å; F262-Y335 HydrophobicContact CE2-CD2 4.47Å; F262-Y335 AromaticContact CG-CD2 3.79Å; F262-Y335 HydrophobicContact CG-CD2 3.79Å; F262-Y335 AromaticContact CG-CE2 3.79Å; F262-Y335 HydrophobicContact CG-CE2 3.79Å; F262-Y335 HydrophobicContact CZ-CD2 4.02Å; Y335-Q337 PolarHBondContact O-N 3.08Å
336T95.8Very high95.1Very high23 Ų2369 Ų6914%0.14135%0.349CS..SBendtrans52.634.6-179.161.50000113.7R113 Q114 R117 E126R113-T336 HydrophobicContact CB-CG2 4.1Å; Q114-T336 HydrophobicContact CG-CG2 4.05Å; R117-T336 HydrophobicContact CB-CG2 4.37Å; E126-T336 VanDerWaalsContact CD-N 3.3Å; E126-T336 PolarHBondContact OE1-N 3.16Å; E126-T336 PolarHBondContact OE2-N 2.91Å
337Q92.7Very high95Very high41 Ų4166.1 Ų66.119%0.19234%0.338CS..  trans-79.4131.6-169.2-172.5-179.296.300112.4E126 W204 Y335 V339 R344 Y345E126-Q337 WeakPolarHBondContact OE1-CB 3.18Å; E126-Q337 PolarHBondContact OE1-N 2.83Å; W204-Q337 WeakPolarHBondContact CH2-O 3.41Å; Y335-Q337 PolarHBondContact O-N 3.08Å; Q337-V339 PolarHBondContact O-N 3.36Å; Q337-R344 HydrophobicContact CG-CB 4.32Å; Q337-R344 HydrophobicContact CG-CG 4.15Å; Q337-Y345 PolarHBondContact NE2-O 2.85Å
338N95.1Very high94.9Very high7 Ų770.6 Ų70.64%0.03735%0.351CS..  trans-76.3102.9162.6-178.6-6.9000109.4W204 Q207 S340 S341W204-N338 HydrophobicContact CD2-CB 3.76Å; W204-N338 HydrophobicContact CE3-CB 3.56Å; W204-N338 HydrophobicContact CG-CB 4.42Å; W204-N338 HydrophobicContact CH2-CB 4.07Å; W204-N338 HydrophobicContact CZ2-CB 4.27Å; W204-N338 HydrophobicContact CZ3-CB 3.68Å; Q207-N338 PolarHBondContact OE1-ND2 3.34Å; N338-S340 PolarHBondContact O-N 2.95Å; N338-S340 VanDerWaalsContact O-N 3.16Å; N338-S340 PolarHBondContact OD1-N 2.91Å; N338-S341 WeakPolarHBondContact O-CB 3.32Å; N338-S341 PolarHBondContact O-N 2.98Å; N338-S341 PolarHBondContact OD1-N 3.48Å
339V92.9Very high94.9Very high80 Ų8065.3 Ų65.349%0.48533%0.328SS..THydrogen-bonded Turntrans-64.3-16.9-178.6-62.30000113.9Q337 R344Q337-V339 PolarHBondContact O-N 3.36Å; V339-R344 PolarHBondContact O-NE 3.39Å; V339-R344 PolarHBondContact O-NH1 3.24Å; V339-R344 PolarHBondContact O-NH2 3.34Å
340S94.8Very high95.1Very high42 Ų4263.3 Ų63.329%0.29431%0.31SS..THydrogen-bonded Turntrans-89.9-8.1173.3-70.30000113.4D216 N338D216-S340 VanDerWaalsContact CG-CB 3.44Å; D216-S340 VanDerWaalsContact OD1-CB 3.31Å; D216-S340 WeakPolarHBondContact OD1-CB 3.46Å; D216-S340 PolarHBondContact OD1-OG 3.15Å; N338-S340 PolarHBondContact O-N 2.95Å; N338-S340 VanDerWaalsContact O-N 3.16Å; N338-S340 PolarHBondContact OD1-N 2.91Å
341S96.3Very high95.2Very high5 Ų559.8 Ų59.84%0.03529%0.29CS..BIsolated β-bridgetrans-67.9144.4179.9178.80000111.9Q207 N210 N338 L343 R344Q207-S341 PolarHBondContact NE2-OG 2.95Å; N210-S341 CarbonylContact O-C 3.53Å; N210-S341 VanDerWaalsContact O-CA 3.32Å; N210-S341 WeakPolarHBondContact O-CA 3.47Å; N210-S341 PolarHBondContact O-OG 3.01Å; N338-S341 WeakPolarHBondContact O-CB 3.32Å; N338-S341 PolarHBondContact O-N 2.98Å; N338-S341 PolarHBondContact OD1-N 3.48Å; S341-L343 VanDerWaalsContact CB-O 3.26Å; S341-L343 WeakPolarHBondContact CB-O 3.45Å; S341-L343 PolarHBondContact O-N 3.5Å; S341-L343 PolarHBondContact OG-N 3.43Å; S341-L343 PolarHBondContact OG-O 2.92Å; S341-R344 PolarHBondContact O-NE 3.01Å
342M97.2Very high95.4Very high124 Ų12458.6 Ų58.661%0.61128%0.284SS*.SBendtrans-64.7-27.8167.7-60.4171.865.600111.7N210 M212N210-M342 HydrophobicContact CB-CB 3.92Å; N210-M342 PolarHBondContact O-N 3.29Å; M212-M342 HydrophobicContact CG-CG 3.87Å; M212-M342 HydrophobicContact SD-CG 3.49Å; M212-M342 WeakPolarHBondContact SD-CG 3.34Å; M212-M342 HydrophobicContact SD-SD 4.01Å
343L95.4Very high95.5Very high75 Ų7554.1 Ų54.139%0.39326%0.256SS..  trans-106.9123.4177.6177.664.6000109.7N210 S341 Y345N210-L343 HydrophobicContact CB-CB 3.93Å; N210-L343 WeakPolarHBondContact ND2-CB 3.38Å; S341-L343 VanDerWaalsContact CB-O 3.26Å; S341-L343 WeakPolarHBondContact CB-O 3.45Å; S341-L343 PolarHBondContact O-N 3.5Å; S341-L343 PolarHBondContact OG-N 3.43Å; S341-L343 PolarHBondContact OG-O 2.92Å; L343-Y345 HydrophobicContact CD2-CE2 3.95Å; L343-Y345 HydrophobicContact CG-CE2 4.08Å
344R93.4Very high95.7Very high141 Ų14154 Ų5453%0.53226%0.255SS..  trans-136.3122-177.9-68.6-174.7-153.4175.86.1109.5Q337 V339 S341Q337-R344 HydrophobicContact CG-CB 4.32Å; Q337-R344 HydrophobicContact CG-CG 4.15Å; V339-R344 PolarHBondContact O-NE 3.39Å; V339-R344 PolarHBondContact O-NH1 3.24Å; V339-R344 PolarHBondContact O-NH2 3.34Å; S341-R344 PolarHBondContact O-NE 3.01Å
345Y90.9Very high95.9Very high152 Ų15253.5 Ų53.560%0.59625%0.249SC*.  trans-90.4129.8173.4-63.7-77.7000110Q337 L343Q337-Y345 PolarHBondContact NE2-O 2.85Å; L343-Y345 HydrophobicContact CD2-CE2 3.95Å; L343-Y345 HydrophobicContact CG-CE2 4.08Å
346T94.2Very high96Very high89 Ų8950.8 Ų50.855%0.54624%0.239SC..  trans-123.2120.2170.2-56.30000107.4P332P332-T346 HydrophobicContact CB-CG2 3.72Å
347Y95.6Very high96.1Very high59 Ų5950.7 Ų50.723%0.23124%0.239CC..EExtended strand (participates in β ladder)trans-82.3144.4172-61.8-79.4000109.6F262 P292 L294 P332 T333 C349F262-Y347 AromaticContact CE1-CD2 3.86Å; F262-Y347 HydrophobicContact CE1-CD2 3.86Å; F262-Y347 HydrophobicContact CE1-CE2 4.19Å; F262-Y347 HydrophobicContact CE1-CG 4.4Å; F262-Y347 HydrophobicContact CZ-CD2 4.24Å; P292-Y347 HydrophobicContact CB-CD1 3.66Å; P292-Y347 HydrophobicContact CB-CE1 4.41Å; P292-Y347 HydrophobicContact CB-CG 4.02Å; P292-Y347 HydrophobicContact CG-CD1 3.82Å; P292-Y347 HydrophobicContact CG-CE1 4.27Å; P292-Y347 HydrophobicContact CG-CG 3.98Å; L294-Y347 HydrophobicContact CB-CE1 4.45Å; L294-Y347 HydrophobicContact CD2-CE1 3.96Å; L294-Y347 VanDerWaalsContact CD2-OH 3.31Å; L294-Y347 WeakPolarHBondContact CD2-OH 3.44Å; P332-Y347 CarbonylContact C-O 3.49Å; P332-Y347 VanDerWaalsContact CA-O 3.31Å; P332-Y347 WeakPolarHBondContact CA-O 3.29Å; T333-Y347 PolarHBondContact N-O 2.69Å; T333-Y347 PolarHBondContact O-N 3.1Å; Y347-C349 PolarHBondContact O-N 2.89Å
348R95.8Very high96.2Very high184 Ų18452 Ų5269%0.69425%0.247SC*.EExtended strand (participates in β ladder)trans-9683.2167.1-71.1170.2176.1-126.311.5106.9D330D330-R348 WeakPolarHBondContact OD1-CD 3.39Å; D330-R348 WeakPolarHBondContact OD1-CG 3.43Å; D330-R348 IonicContact OD1-CZ 3.04Å; D330-R348 IonicContact OD1-NE 2.67Å; D330-R348 PolarHBondContact OD1-NE 3.1Å; D330-R348 IonicContact OD1-NH1 3.64Å; D330-R348 PolarHBondContact OD1-NH1 3.43Å; D330-R348 IonicContact OD2-NH1 2.69Å; D330-R348 PolarHBondContact OD2-NH1 3.44Å
349C97.8Very high95.7Very high0 Ų056.5 Ų56.50%027%0.271CS..EExtended strand (participates in β ladder)trans-70.5153.9-172.6-66.10000111.6M290 G291 D330 I331 Y347M290-C349 HydrophobicContact CE-CB 3.5Å; M290-C349 VanDerWaalsContact CE-CB 3.5Å; M290-C349 HydrophobicContact SD-CB 3.88Å; G291-C349 WeakPolarHBondContact O-CA 3.42Å; D330-C349 PolarHBondContact N-O 3.42Å; I331-C349 HydrophobicContact CB-CB 4.47Å; I331-C349 PolarHBondContact N-O 3.2Å; I331-C349 VanDerWaalsContact N-O 3.11Å; I331-C349 PolarHBondContact O-N 3.29Å; Y347-C349 PolarHBondContact O-N 2.89Å
350V97.9Very high94.9Very high15 Ų1559.8 Ų59.89%0.09129%0.286CS..EExtended strand (participates in β ladder)trans-100.2136.4166.6-67.30000108.9M290 G291 Y310 A329M290-V350 WeakPolarHBondContact CA-O 3.45Å; G291-V350 PolarHBondContact N-O 3.09Å; G291-V350 VanDerWaalsContact N-O 3.08Å; G291-V350 WeakPolarHBondContact O-CG2 3.41Å; G291-V350 PolarHBondContact O-N 3.43Å; Y310-V350 HydrophobicContact CD1-CG1 3.99Å; Y310-V350 HydrophobicContact CD2-CB 4.1Å; Y310-V350 HydrophobicContact CD2-CG1 3.96Å; Y310-V350 HydrophobicContact CD2-CG2 3.78Å; Y310-V350 HydrophobicContact CE1-CB 4.45Å; Y310-V350 HydrophobicContact CE1-CG1 4.01Å; Y310-V350 HydrophobicContact CE2-CB 3.77Å; Y310-V350 HydrophobicContact CE2-CG1 4Å; Y310-V350 HydrophobicContact CE2-CG2 3.71Å; Y310-V350 HydrophobicContact CG-CG1 3.95Å; A329-V350 HydrophobicContact CB-CG1 4.17Å
351Y98.5Very high93.7Very high13 Ų1361.2 Ų61.25%0.05129%0.288CS..EExtended strand (participates in β ladder)trans-119.1133.7174172.4-93000108.6P133 V134 E137 I288 N289 M290 Y326 Q327 K328 I331 V353P133-Y351 HydrophobicContact CB-CD2 4.35Å; P133-Y351 HydrophobicContact CB-CE2 4.12Å; V134-Y351 HydrophobicContact CG2-CE2 4.18Å; E137-Y351 WeakPolarHBondContact CB-OH 3.21Å; E137-Y351 VanDerWaalsContact CG-OH 3.25Å; E137-Y351 WeakPolarHBondContact CG-OH 3.44Å; I288-Y351 HydrophobicContact CG2-CD2 4.46Å; I288-Y351 HydrophobicContact CG2-CE2 3.54Å; N289-Y351 VanDerWaalsContact O-CA 3.3Å; N289-Y351 WeakPolarHBondContact O-CA 3.46Å; N289-Y351 WeakPolarHBondContact O-CD2 3.34Å; M290-Y351 HydrophobicContact CB-CD2 4.21Å; M290-Y351 HydrophobicContact SD-CD2 4.28Å; Y326-Y351 AromaticContact CD1-CD1 3.83Å; Y326-Y351 HydrophobicContact CD1-CD1 3.83Å; Y326-Y351 AromaticContact CD1-CE1 3.61Å; Y326-Y351 HydrophobicContact CD1-CE1 3.61Å; Y326-Y351 AromaticContact CE1-CD1 3.74Å; Y326-Y351 HydrophobicContact CE1-CD1 3.74Å; Y326-Y351 AromaticContact CE1-CE1 3.75Å; Y326-Y351 HydrophobicContact CE1-CE1 3.75Å; Q327-Y351 CarbonylContact C-O 3.58Å; Q327-Y351 VanDerWaalsContact CA-O 3.26Å; Q327-Y351 WeakPolarHBondContact CA-O 3.38Å; K328-Y351 PolarHBondContact N-O 3.2Å; K328-Y351 PolarHBondContact O-N 3.34Å; I331-Y351 VanDerWaalsContact CD1-CB 3.45Å; I331-Y351 HydrophobicContact CD1-CG 4.34Å; Y351-V353 HydrophobicContact CE1-CG2 3.73Å; Y351-V353 WeakPolarHBondContact OH-CG2 3.36Å
352F98.6Very high91.9Very high0 Ų066.4 Ų66.40%031%0.311CS..EExtended strand (participates in β ladder)trans-148.3158.1172.460.6-104000112.6W287 I288 N289 Y310 M317 L324 Y326 Q327W287-F352 AromaticContact CD2-CE2 3.96Å; W287-F352 HydrophobicContact CD2-CE2 3.96Å; W287-F352 AromaticContact CE2-CE2 3.8Å; W287-F352 HydrophobicContact CE3-CE2 4.01Å; W287-F352 AromaticContact CH2-CE2 3.71Å; W287-F352 HydrophobicContact CH2-CE2 3.71Å; W287-F352 AromaticContact CH2-CZ 3.58Å; W287-F352 HydrophobicContact CH2-CZ 3.58Å; W287-F352 AromaticContact CZ2-CE2 3.66Å; W287-F352 HydrophobicContact CZ2-CE2 3.66Å; W287-F352 AromaticContact CZ2-CZ 3.54Å; W287-F352 HydrophobicContact CZ2-CZ 3.54Å; W287-F352 AromaticContact CZ3-CE2 3.92Å; W287-F352 HydrophobicContact CZ3-CE2 3.92Å; W287-F352 HydrophobicContact CZ3-CZ 4.21Å; I288-F352 WeakPolarHBondContact CA-O 3.49Å; N289-F352 HydrophobicContact CB-CD1 3.96Å; N289-F352 HydrophobicContact CB-CD2 3.85Å; N289-F352 HydrophobicContact CB-CE1 3.52Å; N289-F352 HydrophobicContact CB-CE2 3.37Å; N289-F352 HydrophobicContact CB-CG 4.13Å; N289-F352 HydrophobicContact CB-CZ 3.2Å; N289-F352 PolarHBondContact N-O 3.08Å; N289-F352 WeakPolarHBondContact ND2-CE1 3.44Å; N289-F352 PolarHBondContact O-N 3.34Å; N289-F352 VanDerWaalsContact O-N 3.11Å; Y310-F352 AromaticContact CE2-CD1 3.98Å; Y310-F352 HydrophobicContact CE2-CD1 3.98Å; Y310-F352 HydrophobicContact CE2-CE1 4.22Å; M317-F352 HydrophobicContact CE-CD1 4.46Å; M317-F352 HydrophobicContact CE-CD2 4.41Å; M317-F352 HydrophobicContact CE-CE1 4.15Å; M317-F352 HydrophobicContact CE-CE2 4.11Å; M317-F352 HydrophobicContact CE-CZ 3.96Å; M317-F352 HydrophobicContact SD-CD2 4.27Å; M317-F352 HydrophobicContact SD-CE1 4.14Å; M317-F352 HydrophobicContact SD-CE2 3.48Å; M317-F352 WeakPolarHBondContact SD-CE2 3.46Å; M317-F352 HydrophobicContact SD-CZ 3.39Å; M317-F352 WeakPolarHBondContact SD-CZ 3.37Å; L324-F352 HydrophobicContact CD1-CB 3.9Å; Y326-F352 CarbonylContact O-C 3.57Å; Y326-F352 VanDerWaalsContact O-CA 3.23Å; Y326-F352 WeakPolarHBondContact O-CA 3.44Å; Y326-F352 WeakPolarHBondContact O-CB 3.39Å; Q327-F352 HydrophobicContact CB-CB 4.03Å
353V98.8Very high89.6Confident0 Ų069.5 Ų69.50%032%0.324CS..EExtended strand (participates in β ladder)trans-125.9118.8176.1-172.80000107.5E137 L141 W287 I288 L325 Y326 Y351E137-V353 HydrophobicContact CG-CG1 4.35Å; E137-V353 HydrophobicContact CG-CG2 3.72Å; L141-V353 HydrophobicContact CD1-CG1 4.47Å; W287-V353 WeakPolarHBondContact O-CA 3.43Å; I288-V353 HydrophobicContact CG1-CG1 4.28Å; I288-V353 HydrophobicContact CG1-CG2 4.46Å; I288-V353 HydrophobicContact CG2-CG2 4.43Å; L325-V353 WeakPolarHBondContact CB-O 3.48Å; L325-V353 HydrophobicContact CD1-CG1 4.41Å; L325-V353 PolarHBondContact N-O 3.4Å; Y326-V353 PolarHBondContact N-O 3.19Å; Y326-V353 PolarHBondContact O-N 3.08Å; Y351-V353 HydrophobicContact CE1-CG2 3.73Å; Y351-V353 WeakPolarHBondContact OH-CG2 3.36Å
354C98.5Very high87Confident1 Ų173.4 Ų73.41%0.00736%0.358CS..EExtended strand (participates in β ladder)trans-114.2151.2176.3-70.80000109.7Y286 W287 F322 R323Y286-C354 CarbonylContact C-O 3.58Å; Y286-C354 WeakPolarHBondContact CA-O 3.37Å; W287-C354 HydrophobicContact CB-CB 4.39Å; W287-C354 HydrophobicContact CE3-CB 4.35Å; W287-C354 PolarHBondContact N-O 2.64Å; W287-C354 PolarHBondContact O-N 3.44Å; F322-C354 HydrophobicContact CB-CB 4Å; F322-C354 HydrophobicContact CD1-CB 3.82Å; F322-C354 HydrophobicContact CG-CB 4.08Å; R323-C354 CarbonylContact O-C 3.58Å; R323-C354 WeakPolarHBondContact O-CA 3.42Å
355A98.5Very high86.7Confident3 Ų370 Ų703%0.02535%0.349CS..EExtended strand (participates in β ladder)trans-118.4142.5169.500000110.2G285 Y286 R323 L325G285-A355 WeakPolarHBondContact O-CA 3.28Å; Y286-A355 HydrophobicContact CD1-CB 3.85Å; Y286-A355 HydrophobicContact CE1-CB 3.9Å; R323-A355 PolarHBondContact N-O 3Å; R323-A355 PolarHBondContact O-N 3.3Å; L325-A355 HydrophobicContact CD1-CB 3.85Å; L325-A355 HydrophobicContact CD2-CB 4.28Å; L325-A355 HydrophobicContact CG-CB 4.11Å
356K98.4Very high86.5Confident13 Ų1365.7 Ų65.76%0.05734%0.336CS..PPolyproline II helixtrans-78.4125.2159.6179.5168.5-178.9175.80107.8N253 Y278 L281 G284 G285N253-K356 PolarHBondContact OD1-NZ 3.47Å; Y278-K356 HydrophobicContact CD2-CD 4.4Å; Y278-K356 HydrophobicContact CD2-CG 4.3Å; Y278-K356 HydrophobicContact CE1-CD 4.37Å; Y278-K356 HydrophobicContact CE2-CB 4.25Å; Y278-K356 HydrophobicContact CE2-CD 4.17Å; Y278-K356 HydrophobicContact CE2-CG 3.73Å; Y278-K356 WeakPolarHBondContact O-CD 3.47Å; Y278-K356 PolarHBondContact O-NZ 2.76Å; L281-K356 HydrophobicContact CB-CB 4.32Å; L281-K356 HydrophobicContact CB-CD 4Å; L281-K356 VanDerWaalsContact O-CD 3.31Å; L281-K356 WeakPolarHBondContact O-CD 3.23Å; L281-K356 PolarHBondContact O-NZ 2.8Å; G284-K356 VanDerWaalsContact CA-O 3.25Å; G284-K356 WeakPolarHBondContact CA-O 3.25Å; G284-K356 PolarHBondContact N-O 3.33Å; G285-K356 PolarHBondContact O-N 3.34Å
357P97.2Very high86.1Confident21 Ų2164.4 Ų64.414%0.13633%0.325CS..PPolyproline II helixtrans-54.5157.9176.7-24.834.6000112.4P283 G284 G321 E361 E362P283-P357 WeakPolarHBondContact CA-O 3.45Å; G284-P357 PolarHBondContact N-O 3.37Å; G321-P357 VanDerWaalsContact O-CD 3.23Å; G321-P357 WeakPolarHBondContact O-CD 3.41Å; P357-E361 HydrophobicContact CB-CB 3.99Å; P357-E362 HydrophobicContact CB-CG 4.41Å
358N94Very high85.5Confident68 Ų6864.7 Ų64.736%0.36433%0.33SS..PPolyproline II helixtrans-70.6155165.8-63.9-60.5000109.1G284 D360 E361G284-N358 WeakPolarHBondContact CA-OD1 3.41Å; G284-N358 PolarHBondContact N-OD1 3.26Å; N358-D360 PolarHBondContact O-N 2.97Å; N358-D360 VanDerWaalsContact O-N 3.12Å; N358-E361 HydrophobicContact CB-CG 4.42Å; N358-E361 PolarHBondContact ND2-OE1 2.72Å; N358-E361 WeakPolarHBondContact O-CB 3.46Å; N358-E361 PolarHBondContact O-N 3.22Å
359D85.1Confident84.9Confident101 Ų10157.3 Ų57.354%0.5431%0.307SS..G310 helixtrans-55.3-34178.2-62.4-30.4000111.4P283 E361 E362P283-D359 WeakPolarHBondContact CG-OD1 3.32Å; D359-E361 PolarHBondContact O-N 3Å; D359-E362 PolarHBondContact O-N 3.5Å
360D76.2Confident84Confident150 Ų15061.1 Ų61.180%0.80233%0.328SS*.G310 helixtrans-69.2-16.3177.5-57.8-32.1000114.2N358N358-D360 PolarHBondContact O-N 2.97Å; N358-D360 VanDerWaalsContact O-N 3.12Å
361E69.2Low83Confident71 Ų7164.4 Ų64.433%0.33235%0.345SS..G310 helixtrans-94-15.2-179.6-70.1175.3-141.700112.8R323 P357 N358 D359 S364R323-E361 IonicContact CZ-OE2 3.01Å; R323-E361 IonicContact NH1-OE2 3.8Å; R323-E361 PolarHBondContact NH1-OE2 2.91Å; R323-E361 IonicContact NH2-OE2 3.75Å; P357-E361 HydrophobicContact CB-CB 3.99Å; N358-E361 HydrophobicContact CB-CG 4.42Å; N358-E361 PolarHBondContact ND2-OE1 2.72Å; N358-E361 WeakPolarHBondContact O-CB 3.46Å; N358-E361 PolarHBondContact O-N 3.22Å; D359-E361 PolarHBondContact O-N 3Å; E361-S364 PolarHBondContact O-OG 2.9Å
362E58Low81.8Confident114 Ų11468.3 Ų68.353%0.53337%0.367SS..THydrogen-bonded Turntrans-77.8-18.5179.7-76-171.3170.900113.3Y278 P357 D359Y278-E362 PolarHBondContact OH-OE1 3.26Å; P357-E362 HydrophobicContact CB-CG 4.41Å; D359-E362 PolarHBondContact O-N 3.5Å
363E49.7Very low80.4Confident189 Ų18974 Ų7488%0.88340%0.398SS*.THydrogen-bonded Turntrans-89.2-4.5-178.2-69.7-169.5165.700115
364S41.8Very low78.8Confident157 Ų15780.7 Ų80.7100%1.09843%0.434SS*.  trans-103.90179.668.90000113E361E361-S364 PolarHBondContact O-OG 2.9Å

Retrieved 364 of 364 residues in 114.8 ms (Link to these results)

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