A0A077Z9T2_TRITR Loading...

Lysine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077Z9T2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 505 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
1M47.2Very low46.9Very low205 Ų205119.6 Ų119.6100%1.0162%0.615SS**  0107.10-65.6-172-56.800106.7E5M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 VanDerWaalsContact CB-OE2 3.28Å; M1-E5 WeakPolarHBondContact CB-OE2 3.48Å; M1-E5 WeakPolarHBondContact CG-OE2 3.49Å
2S45.6Very low48.3Very low68 Ų68114 Ų11448%0.47660%0.6SS.*  trans-72.2157.4-173.261.90000110Q4 E5 T6S2-Q4 PolarHBondContact O-N 3.15Å; S2-E5 PolarHBondContact N-OE2 3.37Å; S2-E5 PolarHBondContact O-N 3.34Å; S2-T6 PolarHBondContact O-N 3.38Å; S2-T6 PolarHBondContact O-OG1 3.16Å
3E43.4Very low49.7Very low176 Ų176112.8 Ų112.882%0.82259%0.592SS**Hα-helixtrans-51.4-25-179.3-70.7179.3146.400114.1R7E3-R7 WeakPolarHBondContact O-CB 3.32Å; E3-R7 PolarHBondContact O-N 3.31Å
4Q36.6Very low51.4Low165 Ų165112.5 Ų112.577%0.77159%0.592SS**Hα-helixtrans-68.2-40.8174.1-83179.7-29.900113.5S2 T6 R7 G8S2-Q4 PolarHBondContact O-N 3.15Å; Q4-T6 VanDerWaalsContact C-N 3.34Å; Q4-R7 PolarHBondContact O-N 3.17Å; Q4-G8 PolarHBondContact O-N 3.4Å
5E42.7Very low53.1Low117 Ų117110.3 Ų110.355%0.54758%0.575SS.*Hα-helixtrans-66.4-40.5176.7-71.2177.9147.500110.7M1 S2 G8 A9M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 VanDerWaalsContact CB-OE2 3.28Å; M1-E5 WeakPolarHBondContact CB-OE2 3.48Å; M1-E5 WeakPolarHBondContact CG-OE2 3.49Å; S2-E5 PolarHBondContact N-OE2 3.37Å; S2-E5 PolarHBondContact O-N 3.34Å; E5-G8 PolarHBondContact O-N 3.15Å; E5-A9 WeakPolarHBondContact O-CB 3.33Å; E5-A9 PolarHBondContact O-N 3.3Å
6T39Very low55Low72 Ų72109.4 Ų109.444%0.44257%0.571SS.*Hα-helixtrans-67.1-37.2177.7-36.30000111.9S2 Q4 N10S2-T6 PolarHBondContact O-N 3.38Å; S2-T6 PolarHBondContact O-OG1 3.16Å; Q4-T6 VanDerWaalsContact C-N 3.34Å; T6-N10 PolarHBondContact O-N 2.82Å; T6-N10 VanDerWaalsContact O-N 3.16Å
7R47.4Very low57Low185 Ų185106.8 Ų106.870%0.69856%0.558SS**Hα-helixtrans-63.8-49.7173.5-106-176.8173.8175.8-1.8112E3 Q4 A9 N10 E11E3-R7 WeakPolarHBondContact O-CB 3.32Å; E3-R7 PolarHBondContact O-N 3.31Å; Q4-R7 PolarHBondContact O-N 3.17Å; R7-A9 VanDerWaalsContact C-N 3.31Å; R7-A9 PolarHBondContact O-N 2.91Å; R7-N10 PolarHBondContact O-N 3.42Å; R7-E11 PolarHBondContact O-N 3.26Å
8G52.4Low58.9Low39 Ų39104.2 Ų104.240%0.40254%0.543SS..Hα-helixtrans-61.7-37.5179.700000113.1Q4 E5 A12Q4-G8 PolarHBondContact O-N 3.4Å; E5-G8 PolarHBondContact O-N 3.15Å; G8-A12 WeakPolarHBondContact O-CB 3.26Å; G8-A12 PolarHBondContact O-N 2.81Å; G8-A12 VanDerWaalsContact O-N 3.1Å
9A45.4Very low60.6Low50 Ų50100.2 Ų100.241%0.41352%0.522SS..Hα-helixtrans-65.8-42.6175.200000112.7E5 R7 A12 I13E5-A9 WeakPolarHBondContact O-CB 3.33Å; E5-A9 PolarHBondContact O-N 3.3Å; R7-A9 VanDerWaalsContact C-N 3.31Å; R7-A9 PolarHBondContact O-N 2.91Å; A9-A12 PolarHBondContact O-N 2.78Å; A9-I13 VanDerWaalsContact O-CG1 3.31Å; A9-I13 WeakPolarHBondContact O-CG1 3.44Å; A9-I13 PolarHBondContact O-N 3.47Å; A9-I13 VanDerWaalsContact O-N 3.1Å
10N54.9Low62.3Low105 Ų105102.3 Ų102.356%0.56152%0.523SS*.Hα-helixtrans-66.4-40.5177.9-79.8-15.5000112.4T6 R7 A12 I13 D14T6-N10 PolarHBondContact O-N 2.82Å; T6-N10 VanDerWaalsContact O-N 3.16Å; R7-N10 PolarHBondContact O-N 3.42Å; N10-A12 VanDerWaalsContact C-N 3.35Å; N10-A12 PolarHBondContact O-N 2.92Å; N10-I13 PolarHBondContact O-N 3.16Å; N10-D14 PolarHBondContact O-N 2.78Å
11E61.4Low63.9Low134 Ų134101 Ų10163%0.62652%0.517SS*.Hα-helixtrans-62.7-40.5174.9-75.2176-176.600112R7 I13 D14 F15R7-E11 PolarHBondContact O-N 3.26Å; E11-I13 PolarHBondContact O-N 3.46Å; E11-D14 PolarHBondContact O-N 3.31Å; E11-F15 WeakPolarHBondContact O-CB 3.42Å; E11-F15 PolarHBondContact O-N 3.37Å
12A64Low66.3Low52 Ų5291.4 Ų91.443%0.4347%0.47SS..Hα-helixtrans-66.1-36.3177.200000112.9G8 A9 N10 N16G8-A12 WeakPolarHBondContact O-CB 3.26Å; G8-A12 PolarHBondContact O-N 2.81Å; G8-A12 VanDerWaalsContact O-N 3.1Å; A9-A12 PolarHBondContact O-N 2.78Å; N10-A12 VanDerWaalsContact C-N 3.35Å; N10-A12 PolarHBondContact O-N 2.92Å; A12-N16 PolarHBondContact O-N 3.06Å; A12-N16 PolarHBondContact O-ND2 3.23Å
13I65.8Low68.8Low98 Ų9895.7 Ų95.750%0.50348%0.476SS..Hα-helixtrans-67.8-48.7175.8-68.2166.3000110.3A9 N10 E11 F15 N16 D17A9-I13 VanDerWaalsContact O-CG1 3.31Å; A9-I13 WeakPolarHBondContact O-CG1 3.44Å; A9-I13 PolarHBondContact O-N 3.47Å; A9-I13 VanDerWaalsContact O-N 3.1Å; N10-I13 PolarHBondContact O-N 3.16Å; E11-I13 PolarHBondContact O-N 3.46Å; I13-F15 VanDerWaalsContact C-N 3.32Å; I13-F15 PolarHBondContact O-N 2.74Å; I13-N16 PolarHBondContact O-N 3.37Å; I13-N16 VanDerWaalsContact O-N 3.14Å; I13-D17 PolarHBondContact O-N 3.35Å
14D73.6Confident71.3Confident109 Ų10992.7 Ų92.758%0.58346%0.462SS*.Hα-helixtrans-60.4-42.1179.4-165.719.1000111.4N10 E11 N16 D17 E18N10-D14 PolarHBondContact O-N 2.78Å; E11-D14 PolarHBondContact O-N 3.31Å; D14-N16 PolarHBondContact O-N 3.41Å; D14-D17 PolarHBondContact O-N 3.29Å; D14-E18 PolarHBondContact O-N 2.84Å
15F77.1Confident74.2Confident79 Ų7987.2 Ų87.235%0.34644%0.435SS..Hα-helixtrans-59.5-43.1174.6-177.4-98.8000113.2E11 I13 L19 P152E11-F15 WeakPolarHBondContact O-CB 3.42Å; E11-F15 PolarHBondContact O-N 3.37Å; I13-F15 VanDerWaalsContact C-N 3.32Å; I13-F15 PolarHBondContact O-N 2.74Å; F15-L19 WeakPolarHBondContact O-CB 3.32Å; F15-L19 PolarHBondContact O-N 3.41Å; F15-P152 HydrophobicContact CD2-CG 3.81Å; F15-P152 HydrophobicContact CE2-CG 3.74Å
16N82.9Confident76.8Confident96 Ų9682.3 Ų82.351%0.51341%0.413SS..Hα-helixtrans-68-38.3178.3-83.7-31.9000112.1A12 I13 D14 L19 R20A12-N16 PolarHBondContact O-N 3.06Å; A12-N16 PolarHBondContact O-ND2 3.23Å; I13-N16 PolarHBondContact O-N 3.37Å; I13-N16 VanDerWaalsContact O-N 3.14Å; D14-N16 PolarHBondContact O-N 3.41Å; N16-L19 PolarHBondContact O-N 3.08Å; N16-R20 WeakPolarHBondContact O-CB 3.31Å; N16-R20 PolarHBondContact O-N 2.86Å
17D88.9Confident79.6Confident65 Ų6581.2 Ų81.235%0.34841%0.411SS..Hα-helixtrans-67-41.7175.9-80.6-24.5000111.6I13 D14 R20 N21I13-D17 PolarHBondContact O-N 3.35Å; D14-D17 PolarHBondContact O-N 3.29Å; D17-R20 PolarHBondContact O-N 3.32Å; D17-R20 IonicContact OD1-CZ 2.86Å; D17-R20 VanDerWaalsContact OD1-CZ 3.23Å; D17-R20 IonicContact OD1-NH1 3.08Å; D17-R20 PolarHBondContact OD1-NH1 3.33Å; D17-R20 IonicContact OD1-NH2 3.73Å; D17-R20 PolarHBondContact OD1-NH2 3.01Å; D17-N21 WeakPolarHBondContact O-CB 3.36Å; D17-N21 PolarHBondContact O-N 2.93Å
18E91.1Very high81.9Confident61 Ų6174.3 Ų74.329%0.28539%0.393SS..Hα-helixtrans-65.1-41.4175.1-165.3177.4173.900111.8D14 R20 N21 R22 P152D14-E18 PolarHBondContact O-N 2.84Å; E18-R20 VanDerWaalsContact C-N 3.34Å; E18-R20 PolarHBondContact O-N 3.29Å; E18-N21 PolarHBondContact O-N 3.15Å; E18-R22 HydrophobicContact CG-CG 4.45Å; E18-R22 WeakPolarHBondContact O-CB 3.38Å; E18-R22 VanDerWaalsContact O-CG 3.29Å; E18-R22 WeakPolarHBondContact O-CG 3.38Å; E18-R22 PolarHBondContact O-N 3.44Å; E18-R22 IonicContact OE1-CZ 2.69Å; E18-R22 VanDerWaalsContact OE1-CZ 3.24Å; E18-R22 IonicContact OE1-NE 2.68Å; E18-R22 PolarHBondContact OE1-NE 2.99Å; E18-R22 IonicContact OE1-NH2 2.8Å; E18-R22 PolarHBondContact OE1-NH2 3.01Å; E18-P152 VanDerWaalsContact OE2-CB 3.32Å; E18-P152 WeakPolarHBondContact OE2-CB 3.49Å; E18-P152 WeakPolarHBondContact OE2-CG 3.36Å
19L92.7Very high84Confident28 Ų2874.1 Ų74.115%0.14738%0.383CS..Hα-helixtrans-59.4-44.4174.3-172.479.6000111.4F15 N16 R23 L150 R151F15-L19 WeakPolarHBondContact O-CB 3.32Å; F15-L19 PolarHBondContact O-N 3.41Å; N16-L19 PolarHBondContact O-N 3.08Å; L19-R23 WeakPolarHBondContact O-CG 3.42Å; L19-R23 PolarHBondContact O-N 2.82Å; L19-R23 VanDerWaalsContact O-N 3.09Å; L19-L150 WeakPolarHBondContact CD1-O 3.47Å; L19-R151 HydrophobicContact CD1-CG 3.96Å
20R94.7Very high86.5Confident141 Ų14178.9 Ų78.953%0.53239%0.39SS..Hα-helixtrans-62-49.7176.8-176.5178.766.9-134.2-12.2111N16 D17 E18 R22 R23 E24N16-R20 WeakPolarHBondContact O-CB 3.31Å; N16-R20 PolarHBondContact O-N 2.86Å; D17-R20 PolarHBondContact O-N 3.32Å; D17-R20 IonicContact OD1-CZ 2.86Å; D17-R20 VanDerWaalsContact OD1-CZ 3.23Å; D17-R20 IonicContact OD1-NH1 3.08Å; D17-R20 PolarHBondContact OD1-NH1 3.33Å; D17-R20 IonicContact OD1-NH2 3.73Å; D17-R20 PolarHBondContact OD1-NH2 3.01Å; E18-R20 VanDerWaalsContact C-N 3.34Å; E18-R20 PolarHBondContact O-N 3.29Å; R20-R22 PolarHBondContact O-N 2.99Å; R20-R23 WeakPolarHBondContact O-CB 3.36Å; R20-R23 PolarHBondContact O-N 2.97Å; R20-R23 VanDerWaalsContact O-N 3.1Å; R20-E24 PolarHBondContact O-N 3.22Å
21N95.9Very high88.5Confident76 Ų7681.9 Ų81.941%0.40640%0.401SS..Hα-helixtrans-59.5-45.3179.8-171.5-21.6000111.8D17 E18 R23 E24 K25D17-N21 WeakPolarHBondContact O-CB 3.36Å; D17-N21 PolarHBondContact O-N 2.93Å; E18-N21 PolarHBondContact O-N 3.15Å; N21-R23 VanDerWaalsContact C-N 3.28Å; N21-R23 PolarHBondContact O-N 3.22Å; N21-E24 PolarHBondContact O-N 3.14Å; N21-K25 WeakPolarHBondContact O-CG 3.46Å; N21-K25 PolarHBondContact O-N 2.86Å; N21-K25 WeakPolarHBondContact OD1-CE 3.34Å
22R97.2Very high90Very high4 Ų482.5 Ų82.52%0.01540%0.403CS..Hα-helixtrans-61.9-34.9176.4-71.7170.3176.6-974.8112.4E18 R20 L26 D117 L118 A149 L150E18-R22 HydrophobicContact CG-CG 4.45Å; E18-R22 WeakPolarHBondContact O-CB 3.38Å; E18-R22 VanDerWaalsContact O-CG 3.29Å; E18-R22 WeakPolarHBondContact O-CG 3.38Å; E18-R22 PolarHBondContact O-N 3.44Å; E18-R22 IonicContact OE1-CZ 2.69Å; E18-R22 VanDerWaalsContact OE1-CZ 3.24Å; E18-R22 IonicContact OE1-NE 2.68Å; E18-R22 PolarHBondContact OE1-NE 2.99Å; E18-R22 IonicContact OE1-NH2 2.8Å; E18-R22 PolarHBondContact OE1-NH2 3.01Å; R20-R22 PolarHBondContact O-N 2.99Å; R22-L26 PolarHBondContact O-N 3.29Å; R22-D117 VanDerWaalsContact CZ-CB 3.5Å; R22-D117 VanDerWaalsContact NH1-CB 3.33Å; R22-L118 PolarHBondContact NH1-O 3.39Å; R22-L118 PolarHBondContact NH2-O 2.94Å; R22-A149 WeakPolarHBondContact CD-O 3.41Å; R22-A149 PolarHBondContact NH1-O 3.33Å; R22-L150 HydrophobicContact CB-CD2 4.45Å; R22-L150 VanDerWaalsContact CD-O 3.25Å; R22-L150 WeakPolarHBondContact CD-O 3.31Å
23R97.2Very high91.5Very high158 Ų15882.1 Ų82.160%0.59641%0.405SS*.Hα-helixtrans-68.4-41.9173.8-76.3-178176.4-159.10.5112.7L19 R20 N21 L26 A27 L150L19-R23 WeakPolarHBondContact O-CG 3.42Å; L19-R23 PolarHBondContact O-N 2.82Å; L19-R23 VanDerWaalsContact O-N 3.09Å; R20-R23 WeakPolarHBondContact O-CB 3.36Å; R20-R23 PolarHBondContact O-N 2.97Å; R20-R23 VanDerWaalsContact O-N 3.1Å; N21-R23 VanDerWaalsContact C-N 3.28Å; N21-R23 PolarHBondContact O-N 3.22Å; R23-L26 PolarHBondContact O-N 3.39Å; R23-A27 PolarHBondContact O-N 3.13Å; R23-L150 HydrophobicContact CG-CD2 4.09Å
24E97.2Very high92.9Very high113 Ų11383.3 Ų83.353%0.52842%0.416SS..Hα-helixtrans-62.2-44.6175.5-71.2169.2-174.200111.2R20 N21 L26 A27 A28R20-E24 PolarHBondContact O-N 3.22Å; N21-E24 PolarHBondContact O-N 3.14Å; E24-L26 VanDerWaalsContact C-N 3.31Å; E24-L26 PolarHBondContact O-N 2.92Å; E24-A27 WeakPolarHBondContact O-CB 3.24Å; E24-A27 PolarHBondContact O-N 2.84Å; E24-A27 VanDerWaalsContact O-N 3.15Å; E24-A28 PolarHBondContact O-N 2.91Å
25K97.2Very high94Very high50 Ų5078.6 Ų78.622%0.21739%0.392CS..Hα-helixtrans-58.1-42173-71177179.9-175.20112.3N21 A28 L29 K115 D117N21-K25 WeakPolarHBondContact O-CG 3.46Å; N21-K25 PolarHBondContact O-N 2.86Å; N21-K25 WeakPolarHBondContact OD1-CE 3.34Å; K25-A28 PolarHBondContact O-N 2.88Å; K25-L29 WeakPolarHBondContact O-CG 3.34Å; K25-L29 PolarHBondContact O-N 2.87Å; K25-K115 WeakPolarHBondContact CD-O 3.45Å; K25-K115 VanDerWaalsContact CE-O 3.32Å; K25-K115 WeakPolarHBondContact CE-O 3.4Å; K25-K115 PolarHBondContact NZ-O 2.93Å; K25-D117 WeakPolarHBondContact CD-OD2 3.42Å; K25-D117 IonicContact NZ-OD1 2.71Å; K25-D117 PolarHBondContact NZ-OD1 2.84Å; K25-D117 IonicContact NZ-OD2 2.66Å; K25-D117 PolarHBondContact NZ-OD2 3.24Å
26L97.8Very high95Very high14 Ų1478.8 Ų78.87%0.07339%0.393CS..Hα-helixtrans-64.9-41175.9178.260.2000112R22 R23 E24 A28 L29 R30 A35 F36 K148 L150R22-L26 PolarHBondContact O-N 3.29Å; R23-L26 PolarHBondContact O-N 3.39Å; E24-L26 VanDerWaalsContact C-N 3.31Å; E24-L26 PolarHBondContact O-N 2.92Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-A28 PolarHBondContact O-N 2.92Å; L26-L29 PolarHBondContact O-N 2.94Å; L26-R30 HydrophobicContact CD1-CG 4.42Å; L26-R30 WeakPolarHBondContact O-CG 3.23Å; L26-R30 PolarHBondContact O-N 3.05Å; L26-A35 HydrophobicContact CD1-CB 3.92Å; L26-F36 HydrophobicContact CD1-CE2 3.67Å; L26-F36 HydrophobicContact CD1-CZ 3.76Å; L26-F36 HydrophobicContact CD2-CE2 4.31Å; L26-F36 HydrophobicContact CD2-CZ 4.12Å; L26-K148 HydrophobicContact CB-CG 4.36Å; L26-K148 HydrophobicContact CD1-CB 4.22Å; L26-L150 HydrophobicContact CB-CD2 4.07Å; L26-L150 HydrophobicContact CD2-CD1 4.06Å; L26-L150 HydrophobicContact CD2-CD2 3.79Å; L26-L150 HydrophobicContact CD2-CG 4.27Å
27A97.5Very high95.7Very high49 Ų4975.8 Ų75.841%0.40538%0.379SS..Hα-helixtrans-59.7-43176.400000111.2R23 E24 R30 Q31R23-A27 PolarHBondContact O-N 3.13Å; E24-A27 WeakPolarHBondContact O-CB 3.24Å; E24-A27 PolarHBondContact O-N 2.84Å; E24-A27 VanDerWaalsContact O-N 3.15Å; A27-R30 PolarHBondContact O-N 3.48Å; A27-Q31 WeakPolarHBondContact O-CG 3.5Å; A27-Q31 PolarHBondContact O-N 2.92Å
28A96.2Very high96.1Very high39 Ų3979.6 Ų79.632%0.32240%0.399SS..Hα-helixtrans-63.1-41.8174.200000112.6E24 K25 L26 R30 Q31 Q32E24-A28 PolarHBondContact O-N 2.91Å; K25-A28 PolarHBondContact O-N 2.88Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-A28 PolarHBondContact O-N 2.92Å; A28-R30 VanDerWaalsContact C-N 3.31Å; A28-R30 PolarHBondContact O-N 2.83Å; A28-Q31 WeakPolarHBondContact O-CB 3.38Å; A28-Q31 PolarHBondContact O-N 2.77Å; A28-Q31 VanDerWaalsContact O-N 3.17Å; A28-Q32 WeakPolarHBondContact O-CG 3.33Å; A28-Q32 PolarHBondContact O-N 3.18Å
29L96Very high96.5Very high36 Ų3680.9 Ų80.919%0.18841%0.408CS..Hα-helixtrans-60.3-39.4175.8-75.7167.6000112.3K25 L26 Q31 Q32 G33 A35 L145 K148K25-L29 WeakPolarHBondContact O-CG 3.34Å; K25-L29 PolarHBondContact O-N 2.87Å; L26-L29 PolarHBondContact O-N 2.94Å; L29-Q31 VanDerWaalsContact C-N 3.27Å; L29-Q31 PolarHBondContact O-N 3.11Å; L29-Q32 PolarHBondContact O-N 2.94Å; L29-Q32 VanDerWaalsContact O-N 3.15Å; L29-G33 PolarHBondContact O-N 3.17Å; L29-A35 HydrophobicContact CB-CB 4Å; L29-L145 HydrophobicContact CD1-CD2 3.46Å; L29-L145 VanDerWaalsContact CD1-CD2 3.46Å; L29-L145 HydrophobicContact CD2-CD2 4.2Å; L29-K148 HydrophobicContact CD1-CB 4.36Å; L29-K148 HydrophobicContact CD1-CD 4.03Å; L29-K148 HydrophobicContact CD1-CG 4.37Å
30R97.5Very high96.7Very high150 Ų15080.6 Ų80.657%0.56641%0.406SS*.Hα-helixtrans-66.2-27.7177.3-70.6-176.7-176.1-77.65.5113.3L26 A27 A28 Q32 A35L26-R30 HydrophobicContact CD1-CG 4.42Å; L26-R30 WeakPolarHBondContact O-CG 3.23Å; L26-R30 PolarHBondContact O-N 3.05Å; A27-R30 PolarHBondContact O-N 3.48Å; A28-R30 VanDerWaalsContact C-N 3.31Å; A28-R30 PolarHBondContact O-N 2.83Å; R30-Q32 VanDerWaalsContact C-N 3.3Å; R30-A35 HydrophobicContact CG-CB 3.84Å
31Q96.7Very high96.9Very high168 Ų16881.6 Ų81.679%0.78541%0.409SS*.Hα-helixtrans-74.3-24.2175.1-66.8172.26.200112.2A27 A28 L29A27-Q31 WeakPolarHBondContact O-CG 3.5Å; A27-Q31 PolarHBondContact O-N 2.92Å; A28-Q31 WeakPolarHBondContact O-CB 3.38Å; A28-Q31 PolarHBondContact O-N 2.77Å; A28-Q31 VanDerWaalsContact O-N 3.17Å; L29-Q31 VanDerWaalsContact C-N 3.27Å; L29-Q31 PolarHBondContact O-N 3.11Å
32Q93.4Very high97Very high146 Ų14683.7 Ų83.768%0.68241%0.412SS*.Hα-helixtrans-88.9-13.3-179-65.2171.77.200113.1A28 L29 R30A28-Q32 WeakPolarHBondContact O-CG 3.33Å; A28-Q32 PolarHBondContact O-N 3.18Å; L29-Q32 PolarHBondContact O-N 2.94Å; L29-Q32 VanDerWaalsContact O-N 3.15Å; R30-Q32 VanDerWaalsContact C-N 3.3Å
33G94.2Very high97.1Very high44 Ų4487.9 Ų87.945%0.45444%0.435SS..SBendtrans146.4-144.7178.300000113.4L29 A35L29-G33 PolarHBondContact O-N 3.17Å; G33-A35 PolarHBondContact O-N 2.83Å; G33-A35 VanDerWaalsContact O-N 3.16Å
34V95.4Very high97.1Very high123 Ų12382.6 Ų82.675%0.74542%0.417SS*.  trans-75.9102.1-179.5-177.40000109.9F36V34-F36 VanDerWaalsContact C-N 3.25Å; V34-F36 PolarHBondContact O-N 2.82Å
35A97Very high97.2Very high10 Ų1077.9 Ų77.98%0.08340%0.396CS..SBendtrans-70.7-14.6-177.800000115.2L26 L29 R30 G33L26-A35 HydrophobicContact CD1-CB 3.92Å; L29-A35 HydrophobicContact CB-CB 4Å; R30-A35 HydrophobicContact CG-CB 3.84Å; G33-A35 PolarHBondContact O-N 2.83Å; G33-A35 VanDerWaalsContact O-N 3.16Å
36F98.1Very high97.3Very high84 Ų8475.5 Ų75.537%0.36839%0.385SS..SBendtrans-130.970.8-179.5-64.1-85000110.3L26 V34 T147L26-F36 HydrophobicContact CD1-CE2 3.67Å; L26-F36 HydrophobicContact CD1-CZ 3.76Å; L26-F36 HydrophobicContact CD2-CE2 4.31Å; L26-F36 HydrophobicContact CD2-CZ 4.12Å; V34-F36 VanDerWaalsContact C-N 3.25Å; V34-F36 PolarHBondContact O-N 2.82Å; F36-T147 HydrophobicContact CD1-CG2 4.04Å; F36-T147 HydrophobicContact CE1-CG2 3.93Å
37P98.1Very high97.2Very high33 Ų3378.4 Ų78.421%0.21440%0.401CS..  trans-67.6154178.829-36.2000112.3D39 L146P37-D39 VanDerWaalsContact CB-OD1 3.32Å; P37-D39 WeakPolarHBondContact CB-OD1 3.4Å; P37-L146 WeakPolarHBondContact CD-O 3.25Å; P37-L146 HydrophobicContact CG-CD2 4.43Å
38N98Very high97.3Very high145 Ų14580.2 Ų80.278%0.77540%0.401SS*.  trans-131.118.1179.667.9-16.5000113.1R41N38-R41 PolarHBondContact O-NH1 2.88Å
39D98.3Very high97.4Very high88 Ų8878.4 Ų78.447%0.47139%0.385SS..  trans-97.1-11.2-173.167.6-60.6000113.4P37 R41 R144P37-D39 VanDerWaalsContact CB-OD1 3.32Å; P37-D39 WeakPolarHBondContact CB-OD1 3.4Å; D39-R41 VanDerWaalsContact C-NH1 3.31Å; D39-R41 PolarHBondContact O-NH1 3.46Å; D39-R144 IonicContact OD1-CZ 2.65Å; D39-R144 IonicContact OD1-NH1 2.76Å; D39-R144 PolarHBondContact OD1-NH1 2.97Å; D39-R144 IonicContact OD1-NH2 2.91Å; D39-R144 IonicContact OD2-CZ 3.8Å; D39-R144 VanDerWaalsContact OD2-CZ 3.28Å; D39-R144 IonicContact OD2-NH1 2.78Å; D39-R144 PolarHBondContact OD2-NH1 3.1Å; D39-R144 IonicContact OD2-NH2 3.89Å; D39-R144 PolarHBondContact OD2-NH2 3.34Å
40F98.4Very high97.5Very high21 Ų2179.2 Ų79.29%0.09239%0.388CS..  trans-65.6141.6176.9-167.9-105.2000111.9R42 S69 V70 A71 R125 R144 L146F40-R42 HydrophobicContact CE1-CB 4.14Å; F40-S69 WeakPolarHBondContact CZ-OG 3.45Å; F40-V70 VanDerWaalsContact CE1-O 3.26Å; F40-V70 WeakPolarHBondContact CE1-O 3.41Å; F40-V70 VanDerWaalsContact CZ-O 3.3Å; F40-V70 WeakPolarHBondContact CZ-O 3.21Å; F40-A71 HydrophobicContact CD1-CB 3.74Å; F40-A71 HydrophobicContact CE1-CB 3.53Å; F40-R125 HydrophobicContact CE2-CG 4.23Å; F40-R125 HydrophobicContact CZ-CG 4.47Å; F40-R144 VanDerWaalsContact CB-CZ 3.46Å; F40-L146 HydrophobicContact CB-CD1 4.1Å; F40-L146 HydrophobicContact CB-CD2 3.64Å; F40-L146 HydrophobicContact CD1-CD1 4Å; F40-L146 HydrophobicContact CG-CD1 4.2Å; F40-L146 HydrophobicContact CG-CD2 4.16Å
41R98.5Very high97.5Very high162 Ų16280.4 Ų80.461%0.61140%0.4SS*.  trans-129.9115.1175.6-59.3-64.1178.1-93.5-0.6107.6N38 D39 S69N38-R41 PolarHBondContact O-NH1 2.88Å; D39-R41 VanDerWaalsContact C-NH1 3.31Å; D39-R41 PolarHBondContact O-NH1 3.46Å; R41-S69 PolarHBondContact O-OG 2.92Å
42R98Very high97.5Very high121 Ų12178 Ų7846%0.45739%0.389SS..  trans-82.8156.7166.469.6176-176.2-175.34.5109.4F40 S69 A71F40-R42 HydrophobicContact CE1-CB 4.14Å; R42-S69 CarbonylContact C-O 3.59Å; R42-S69 WeakPolarHBondContact CA-O 3.42Å; R42-S69 VanDerWaalsContact CB-O 3.26Å; R42-S69 WeakPolarHBondContact CB-O 3.39Å; R42-A71 HydrophobicContact CB-CB 4.47Å
43D98Very high97.7Very high92 Ų9271.3 Ų71.349%0.49236%0.358SS..  trans-119.4-19.9174.748.428.1000112.8S69D43-S69 PolarHBondContact N-O 3.39Å; D43-S69 WeakPolarHBondContact OD1-CA 3.41Å; D43-S69 PolarHBondContact OD1-N 2.89Å; D43-S69 WeakPolarHBondContact OD2-CB 3.25Å; D43-S69 PolarHBondContact OD2-N 3.27Å
44H98.6Very high97.9Very high47 Ų4772.7 Ų72.722%0.21836%0.355CS..  trans-130.7158177.5-6182.8000112.7L49 S69H44-L49 HydrophobicContact CB-CD1 4.28Å; H44-L49 HydrophobicContact CB-CD2 3.73Å; H44-L49 HydrophobicContact CB-CG 3.88Å; H44-S69 PolarHBondContact N-O 2.77Å
45T98.4Very high97.9Very high14 Ų1471.7 Ų71.79%0.08636%0.359CS..  trans-107.2158.6161.952.50000111D47 Q48 L49 D90 V91T45-D47 VanDerWaalsContact C-N 3.29Å; T45-D47 WeakPolarHBondContact CB-OD1 3.3Å; T45-D47 PolarHBondContact O-N 2.69Å; T45-D47 PolarHBondContact OG1-OD1 2.97Å; T45-Q48 WeakPolarHBondContact O-CB 3.3Å; T45-Q48 PolarHBondContact O-N 3.16Å; T45-Q48 VanDerWaalsContact OG1-CD 3.24Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.35Å; T45-Q48 PolarHBondContact OG1-OE1 3.01Å; T45-L49 PolarHBondContact O-N 3.43Å; T45-L49 VanDerWaalsContact O-N 3.14Å; T45-D90 VanDerWaalsContact CA-OD2 3.24Å; T45-D90 WeakPolarHBondContact CA-OD2 3.49Å; T45-V91 HydrophobicContact CG2-CG1 4.11Å
46S98.4Very high97.9Very high0 Ų073.7 Ų73.70%037%0.366CS..Hα-helixtrans-60.9-36.1-174.259.90000113.6L49 H50 D90 G93 R94S46-L49 PolarHBondContact O-N 3.39Å; S46-H50 PolarHBondContact O-CD2 3.43Å; S46-H50 PolarHBondContact O-N 2.94Å; S46-D90 PolarHBondContact N-OD2 2.94Å; S46-D90 PolarHBondContact OG-OD1 2.92Å; S46-G93 WeakPolarHBondContact OG-CA 3.26Å; S46-G93 PolarHBondContact OG-N 3.41Å; S46-G93 PolarHBondContact OG-O 2.77Å; S46-R94 PolarHBondContact OG-N 3.05Å
47D97.3Very high97.8Very high74 Ų7474 Ų7440%0.39637%0.371SS..Hα-helixtrans-64.2-41.7176.956.8-35.4000112.1T45 L49 H50 E51 G92T45-D47 VanDerWaalsContact C-N 3.29Å; T45-D47 WeakPolarHBondContact CB-OD1 3.3Å; T45-D47 PolarHBondContact O-N 2.69Å; T45-D47 PolarHBondContact OG1-OD1 2.97Å; D47-L49 VanDerWaalsContact C-N 3.33Å; D47-L49 PolarHBondContact O-N 3.05Å; D47-H50 PolarHBondContact O-N 2.81Å; D47-E51 WeakPolarHBondContact O-CB 3.22Å; D47-E51 PolarHBondContact O-N 3.47Å; D47-G92 WeakPolarHBondContact OD1-CA 3.28Å
48Q98.3Very high97.8Very high88 Ų8874.7 Ų74.741%0.41137%0.373SS..Hα-helixtrans-60.5-44.7173.9-64.9171.5-27.500111.1T45 E51 E52T45-Q48 WeakPolarHBondContact O-CB 3.3Å; T45-Q48 PolarHBondContact O-N 3.16Å; T45-Q48 VanDerWaalsContact OG1-CD 3.24Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.35Å; T45-Q48 PolarHBondContact OG1-OE1 3.01Å; Q48-E51 PolarHBondContact O-N 3.2Å; Q48-E52 WeakPolarHBondContact O-CB 3.26Å; Q48-E52 PolarHBondContact O-N 3.23Å
49L98.5Very high97.6Very high0 Ų075.1 Ų75.10%037%0.371CS..Hα-helixtrans-64-42.9178.6-64.7177.8000112H44 T45 S46 D47 F53 V68 V70 I95 L128 L136 I138H44-L49 HydrophobicContact CB-CD1 4.28Å; H44-L49 HydrophobicContact CB-CD2 3.73Å; H44-L49 HydrophobicContact CB-CG 3.88Å; T45-L49 PolarHBondContact O-N 3.43Å; T45-L49 VanDerWaalsContact O-N 3.14Å; S46-L49 PolarHBondContact O-N 3.39Å; D47-L49 VanDerWaalsContact C-N 3.33Å; D47-L49 PolarHBondContact O-N 3.05Å; L49-F53 HydrophobicContact CB-CD2 4.5Å; L49-F53 HydrophobicContact CD2-CD2 4.05Å; L49-F53 HydrophobicContact CD2-CE2 3.96Å; L49-F53 VanDerWaalsContact O-CB 3.3Å; L49-F53 WeakPolarHBondContact O-CB 3.43Å; L49-F53 WeakPolarHBondContact O-CD2 3.33Å; L49-F53 PolarHBondContact O-N 2.83Å; L49-V68 HydrophobicContact CD2-CB 4.48Å; L49-V68 HydrophobicContact CD2-CG1 3.86Å; L49-V70 HydrophobicContact CD1-CG1 3.74Å; L49-I95 HydrophobicContact CD1-CG1 4.34Å; L49-L128 HydrophobicContact CD1-CD2 4.49Å; L49-L128 HydrophobicContact CD2-CD1 4.28Å; L49-L128 HydrophobicContact CD2-CD2 4.5Å; L49-L136 HydrophobicContact CB-CD2 4.29Å; L49-L136 WeakPolarHBondContact O-CD2 3.13Å; L49-I138 HydrophobicContact CD1-CD1 4.22Å
50H98.3Very high97.6Very high53 Ų5374.3 Ų74.325%0.24536%0.364CS..Hα-helixtrans-65.4-46.1177.1-78.7-58.4000111.8S46 D47 E52 D54 R94S46-H50 PolarHBondContact O-CD2 3.43Å; S46-H50 PolarHBondContact O-N 2.94Å; D47-H50 PolarHBondContact O-N 2.81Å; H50-E52 VanDerWaalsContact C-N 3.34Å; H50-E52 PolarHBondContact O-N 3.27Å; H50-D54 WeakPolarHBondContact CB-OD2 3.14Å; H50-D54 IonicContact CE1-OD1 2.93Å; H50-D54 IonicContact CG-OD1 3.24Å; H50-D54 IonicContact CG-OD2 3.23Å; H50-D54 VanDerWaalsContact ND1-CG 3.27Å; H50-D54 IonicContact ND1-OD1 3.79Å; H50-D54 PolarHBondContact ND1-OD1 2.66Å; H50-D54 IonicContact ND1-OD2 3.58Å; H50-D54 PolarHBondContact ND1-OD2 2.71Å; H50-D54 VanDerWaalsContact ND1-OD2 3.08Å; H50-D54 WeakPolarHBondContact O-CB 3.36Å; H50-D54 VanDerWaalsContact O-CG 3.29Å; H50-D54 PolarHBondContact O-N 3.33Å; H50-R94 PolarHBondContact NE2-O 3.01Å
51E97.5Very high97.5Very high175 Ų17573.3 Ų73.382%0.81836%0.36SS*.Hα-helixtrans-58.5-44.2178.6-175.9174.8-169.400112.1D47 Q48D47-E51 WeakPolarHBondContact O-CB 3.22Å; D47-E51 PolarHBondContact O-N 3.47Å; Q48-E51 PolarHBondContact O-N 3.2Å
52E97.3Very high97.3Very high118 Ų11871.3 Ų71.355%0.55136%0.357SS*.Hα-helixtrans-81.9-33.5-175.7-166.3176.7167.400113.5Q48 H50Q48-E52 WeakPolarHBondContact O-CB 3.26Å; Q48-E52 PolarHBondContact O-N 3.23Å; H50-E52 VanDerWaalsContact C-N 3.34Å; H50-E52 PolarHBondContact O-N 3.27Å
53F98Very high97.2Very high6 Ų670 Ų703%0.02637%0.366CS..Hα-helixtrans-120.3-9.8-165.3-55.5-62.9000115.8L49 A55 K56 L61 I66 L128 L136L49-F53 HydrophobicContact CB-CD2 4.5Å; L49-F53 HydrophobicContact CD2-CD2 4.05Å; L49-F53 HydrophobicContact CD2-CE2 3.96Å; L49-F53 VanDerWaalsContact O-CB 3.3Å; L49-F53 WeakPolarHBondContact O-CB 3.43Å; L49-F53 WeakPolarHBondContact O-CD2 3.33Å; L49-F53 PolarHBondContact O-N 2.83Å; F53-A55 PolarHBondContact O-N 2.86Å; F53-K56 HydrophobicContact CD1-CD 3.96Å; F53-K56 PolarHBondContact O-N 2.69Å; F53-K56 VanDerWaalsContact O-N 3.13Å; F53-L61 HydrophobicContact CB-CD2 4.24Å; F53-L61 HydrophobicContact CD1-CD2 4.2Å; F53-L61 HydrophobicContact CG-CD2 4.46Å; F53-I66 HydrophobicContact CD1-CD1 3.94Å; F53-I66 HydrophobicContact CE1-CD1 3.3Å; F53-I66 HydrophobicContact CZ-CD1 3.79Å; F53-I66 HydrophobicContact CZ-CG2 4.36Å; F53-L128 HydrophobicContact CB-CD1 4.43Å; F53-L128 HydrophobicContact CD1-CD1 4.36Å; F53-L128 HydrophobicContact CD2-CD1 3.41Å; F53-L128 VanDerWaalsContact CD2-CD1 3.41Å; F53-L128 HydrophobicContact CE2-CD1 3.67Å; F53-L128 HydrophobicContact CG-CD1 3.8Å; F53-L128 HydrophobicContact CZ-CD1 4.25Å; F53-L136 HydrophobicContact CB-CD1 4.12Å; F53-L136 HydrophobicContact CB-CD2 4.03Å
54D96.9Very high97.1Very high73 Ų7369.7 Ų69.739%0.3937%0.365SS..THydrogen-bonded Turntrans-63.5-26.8178.2-84.3-8.5000112.9H50 K56 K130H50-D54 WeakPolarHBondContact CB-OD2 3.14Å; H50-D54 IonicContact CE1-OD1 2.93Å; H50-D54 IonicContact CG-OD1 3.24Å; H50-D54 IonicContact CG-OD2 3.23Å; H50-D54 VanDerWaalsContact ND1-CG 3.27Å; H50-D54 IonicContact ND1-OD1 3.79Å; H50-D54 PolarHBondContact ND1-OD1 2.66Å; H50-D54 IonicContact ND1-OD2 3.58Å; H50-D54 PolarHBondContact ND1-OD2 2.71Å; H50-D54 VanDerWaalsContact ND1-OD2 3.08Å; H50-D54 WeakPolarHBondContact O-CB 3.36Å; H50-D54 VanDerWaalsContact O-CG 3.29Å; H50-D54 PolarHBondContact O-N 3.33Å; D54-K56 VanDerWaalsContact C-N 3.34Å; D54-K130 PolarHBondContact O-NZ 3.22Å
55A96.5Very high97Very high101 Ų10172.5 Ų72.584%0.83538%0.381SS*.THydrogen-bonded Turntrans-76.5-18.6178.100000113.8F53F53-A55 PolarHBondContact O-N 2.86Å
56K96.6Very high97Very high53 Ų5373.8 Ų73.823%0.2339%0.387CS..SBendtrans-81.1147.7-177.6-60.8-167.6-179.9-660111.7F53 D54 E60 L61 L64 K130F53-K56 HydrophobicContact CD1-CD 3.96Å; F53-K56 PolarHBondContact O-N 2.69Å; F53-K56 VanDerWaalsContact O-N 3.13Å; D54-K56 VanDerWaalsContact C-N 3.34Å; K56-E60 WeakPolarHBondContact CB-OE2 3.42Å; K56-E60 HydrophobicContact CD-CG 4.33Å; K56-E60 WeakPolarHBondContact CD-OE1 3.11Å; K56-E60 IonicContact NZ-OE1 3.27Å; K56-E60 PolarHBondContact NZ-OE1 3.12Å; K56-L61 HydrophobicContact CB-CD2 4.05Å; K56-L61 HydrophobicContact CB-CG 4.02Å; K56-L61 HydrophobicContact CD-CD2 4.02Å; K56-L64 HydrophobicContact CD-CD1 3.91Å; K56-K130 WeakPolarHBondContact O-CD 3.45Å; K56-K130 VanDerWaalsContact O-CE 3.23Å; K56-K130 WeakPolarHBondContact O-CE 3.34Å; K56-K130 PolarHBondContact O-NZ 2.95Å
57D96.4Very high97Very high90 Ų9079.7 Ų79.748%0.48142%0.415SS..  trans-86171.5172.874.139.7000112.3Q59 E60 L61D57-Q59 PolarHBondContact O-N 2.94Å; D57-Q59 WeakPolarHBondContact OD1-CA 3.25Å; D57-Q59 PolarHBondContact OD1-N 2.84Å; D57-E60 PolarHBondContact O-N 3.41Å; D57-E60 PolarHBondContact OD1-N 2.74Å; D57-L61 WeakPolarHBondContact O-CG 3.48Å; D57-L61 PolarHBondContact O-N 3.29Å
58N96.6Very high97Very high47 Ų4776.3 Ų76.325%0.25140%0.397SS..Hα-helixtrans-67-35.5-177.1-169.862.2000113E60 L61 E62 K130N58-E60 VanDerWaalsContact C-N 3.34Å; N58-L61 PolarHBondContact O-N 3.08Å; N58-E62 VanDerWaalsContact ND2-CD 3.26Å; N58-E62 PolarHBondContact ND2-OE1 3.33Å; N58-E62 WeakPolarHBondContact O-CB 3.26Å; N58-E62 WeakPolarHBondContact O-CG 3.39Å; N58-E62 PolarHBondContact O-N 3.06Å; N58-K130 HydrophobicContact CB-CB 4.09Å; N58-K130 PolarHBondContact OD1-N 3.46Å; N58-K130 PolarHBondContact OD1-O 2.7Å
59Q95.7Very high97Very high155 Ų15572.2 Ų72.272%0.72438%0.378SS*.Hα-helixtrans-67.7-40.4179.8-74.7-175.7-17.300110.4D57 S63D57-Q59 PolarHBondContact O-N 2.94Å; D57-Q59 WeakPolarHBondContact OD1-CA 3.25Å; D57-Q59 PolarHBondContact OD1-N 2.84Å; Q59-S63 WeakPolarHBondContact O-CB 3.34Å; Q59-S63 PolarHBondContact O-N 2.79Å; Q59-S63 PolarHBondContact O-OG 2.84Å
60E96.7Very high97.1Very high71 Ų7172.2 Ų72.233%0.33238%0.378SS..Hα-helixtrans-61.1-50.3173.8-167.5-174.5169.600110.7K56 D57 N58 E62 S63 L64K56-E60 WeakPolarHBondContact CB-OE2 3.42Å; K56-E60 HydrophobicContact CD-CG 4.33Å; K56-E60 WeakPolarHBondContact CD-OE1 3.11Å; K56-E60 IonicContact NZ-OE1 3.27Å; K56-E60 PolarHBondContact NZ-OE1 3.12Å; D57-E60 PolarHBondContact O-N 3.41Å; D57-E60 PolarHBondContact OD1-N 2.74Å; N58-E60 VanDerWaalsContact C-N 3.34Å; E60-E62 PolarHBondContact O-N 3.06Å; E60-S63 PolarHBondContact O-N 3.13Å; E60-S63 VanDerWaalsContact O-N 3.16Å; E60-S63 PolarHBondContact O-OG 3.19Å; E60-L64 HydrophobicContact CG-CD1 4.04Å; E60-L64 WeakPolarHBondContact O-CG 3.33Å; E60-L64 PolarHBondContact O-N 2.96Å
61L96.8Very high97.1Very high0 Ų070.4 Ų70.40%037%0.372CS..Hα-helixtrans-60.5-45.3179.4-71.1172.6000112.9F53 K56 D57 N58 S63 L64 N65 L128 K130 L136F53-L61 HydrophobicContact CB-CD2 4.24Å; F53-L61 HydrophobicContact CD1-CD2 4.2Å; F53-L61 HydrophobicContact CG-CD2 4.46Å; K56-L61 HydrophobicContact CB-CD2 4.05Å; K56-L61 HydrophobicContact CB-CG 4.02Å; K56-L61 HydrophobicContact CD-CD2 4.02Å; D57-L61 WeakPolarHBondContact O-CG 3.48Å; D57-L61 PolarHBondContact O-N 3.29Å; N58-L61 PolarHBondContact O-N 3.08Å; L61-S63 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 3.04Å; L61-L64 PolarHBondContact O-N 2.91Å; L61-N65 PolarHBondContact O-N 2.8Å; L61-L128 HydrophobicContact CD2-CB 4.36Å; L61-K130 HydrophobicContact CD1-CD 4.33Å; L61-K130 HydrophobicContact CD1-CG 3.93Å; L61-L136 HydrophobicContact CD1-CD1 3.79Å
62E94.6Very high97.1Very high119 Ų11962.4 Ų62.456%0.55634%0.337SS*.Hα-helixtrans-60.8-38.2175.9-76.8177.5179.800111.7N58 E60N58-E62 VanDerWaalsContact ND2-CD 3.26Å; N58-E62 PolarHBondContact ND2-OE1 3.33Å; N58-E62 WeakPolarHBondContact O-CB 3.26Å; N58-E62 WeakPolarHBondContact O-CG 3.39Å; N58-E62 PolarHBondContact O-N 3.06Å; E60-E62 PolarHBondContact O-N 3.06Å
63S96Very high97.2Very high93 Ų9360 Ų6065%0.6532%0.323SS*.Hα-helixtrans-69.9-35.7178.277.50000113.1Q59 E60 L61Q59-S63 WeakPolarHBondContact O-CB 3.34Å; Q59-S63 PolarHBondContact O-N 2.79Å; Q59-S63 PolarHBondContact O-OG 2.84Å; E60-S63 PolarHBondContact O-N 3.13Å; E60-S63 VanDerWaalsContact O-N 3.16Å; E60-S63 PolarHBondContact O-OG 3.19Å; L61-S63 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 3.04Å
64L96.4Very high97.2Very high87 Ų8759.7 Ų59.746%0.45532%0.321SS..Hα-helixtrans-76.2-27.4178.6-67.8171.5000111.8K56 E60 L61 I66K56-L64 HydrophobicContact CD-CD1 3.91Å; E60-L64 HydrophobicContact CG-CD1 4.04Å; E60-L64 WeakPolarHBondContact O-CG 3.33Å; E60-L64 PolarHBondContact O-N 2.96Å; L61-L64 PolarHBondContact O-N 2.91Å; L64-I66 VanDerWaalsContact C-N 3.29Å; L64-I66 HydrophobicContact CB-CD1 3.94Å; L64-I66 HydrophobicContact CB-CG1 3.71Å; L64-I66 HydrophobicContact CD1-CD1 4.01Å; L64-I66 PolarHBondContact O-N 3.29Å
65N96.2Very high97.1Very high106 Ų10657.6 Ų57.657%0.56731%0.31SS*.THydrogen-bonded Turntrans49.948.3177.5-169.254.3000112.7L61 E67 T127L61-N65 PolarHBondContact O-N 2.8Å; N65-E67 PolarHBondContact O-N 3.14Å; N65-T127 WeakPolarHBondContact OD1-CG2 3.17Å
66I97.5Very high97.1Very high41 Ų4156.2 Ų56.221%0.2129%0.291CS..  trans-74.3116.5-174.6-57.5171.1000109.2F53 L64 V68 T127 L128F53-I66 HydrophobicContact CD1-CD1 3.94Å; F53-I66 HydrophobicContact CE1-CD1 3.3Å; F53-I66 HydrophobicContact CZ-CD1 3.79Å; F53-I66 HydrophobicContact CZ-CG2 4.36Å; L64-I66 VanDerWaalsContact C-N 3.29Å; L64-I66 HydrophobicContact CB-CD1 3.94Å; L64-I66 HydrophobicContact CB-CG1 3.71Å; L64-I66 HydrophobicContact CD1-CD1 4.01Å; L64-I66 PolarHBondContact O-N 3.29Å; I66-V68 HydrophobicContact CG2-CG1 4.05Å; I66-T127 CarbonylContact O-C 3.58Å; I66-T127 VanDerWaalsContact O-CA 3.26Å; I66-T127 WeakPolarHBondContact O-CA 3.35Å; I66-L128 HydrophobicContact CB-CD1 4.16Å; I66-L128 HydrophobicContact CG2-CD1 3.97Å; I66-L128 PolarHBondContact O-N 3.26Å
67E98.2Very high97.1Very high124 Ų12457 Ų5758%0.57929%0.292SS*.EExtended strand (participates in β ladder)trans-89.8134.7174.1-164.7178.616700110.6N65 G126N65-E67 PolarHBondContact O-N 3.14Å; E67-G126 CarbonylContact C-O 3.57Å; E67-G126 WeakPolarHBondContact CA-O 3.5Å
68V98.6Very high97.1Very high2 Ų261 Ų611%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-134.6155-178.7-60.90000111.1L49 I66 R125 G126 L128 I138L49-V68 HydrophobicContact CD2-CB 4.48Å; L49-V68 HydrophobicContact CD2-CG1 3.86Å; I66-V68 HydrophobicContact CG2-CG1 4.05Å; V68-R125 VanDerWaalsContact O-CA 3.25Å; V68-R125 WeakPolarHBondContact O-CA 3.35Å; V68-G126 PolarHBondContact N-O 3.19Å; V68-G126 PolarHBondContact O-N 2.96Å; V68-G126 VanDerWaalsContact O-N 3.11Å; V68-L128 HydrophobicContact CG1-CD1 4.02Å; V68-L128 HydrophobicContact CG1-CD2 4.46Å; V68-L128 HydrophobicContact CG1-CG 4.05Å; V68-L128 HydrophobicContact CG2-CD2 3.98Å; V68-L128 HydrophobicContact CG2-CG 4.18Å; V68-I138 HydrophobicContact CG2-CD1 3.75Å; V68-I138 HydrophobicContact CG2-CG1 3.86Å; V68-I138 HydrophobicContact CG2-CG2 4.2Å
69S98.7Very high97Very high2 Ų262.4 Ų62.41%0.01431%0.307CS..EExtended strand (participates in β ladder)trans-123.4114.1175.4-173.40000109.9F40 R41 R42 D43 H44 A124 R125F40-S69 WeakPolarHBondContact CZ-OG 3.45Å; R41-S69 PolarHBondContact O-OG 2.92Å; R42-S69 CarbonylContact C-O 3.59Å; R42-S69 WeakPolarHBondContact CA-O 3.42Å; R42-S69 VanDerWaalsContact CB-O 3.26Å; R42-S69 WeakPolarHBondContact CB-O 3.39Å; D43-S69 PolarHBondContact N-O 3.39Å; D43-S69 WeakPolarHBondContact OD1-CA 3.41Å; D43-S69 PolarHBondContact OD1-N 2.89Å; D43-S69 WeakPolarHBondContact OD2-CB 3.25Å; D43-S69 PolarHBondContact OD2-N 3.27Å; H44-S69 PolarHBondContact N-O 2.77Å; S69-A124 WeakPolarHBondContact CA-O 3.46Å; S69-R125 PolarHBondContact OG-NE 2.87Å
70V98.8Very high96.9Very high0 Ų059 Ų590%029%0.293CS..EExtended strand (participates in β ladder)trans-122.4153.5-178.7-61.20000111.6F40 L49 L88 I95 L97 G123 A124 I138F40-V70 VanDerWaalsContact CE1-O 3.26Å; F40-V70 WeakPolarHBondContact CE1-O 3.41Å; F40-V70 VanDerWaalsContact CZ-O 3.3Å; F40-V70 WeakPolarHBondContact CZ-O 3.21Å; L49-V70 HydrophobicContact CD1-CG1 3.74Å; V70-L88 HydrophobicContact CB-CD2 4.32Å; V70-L88 HydrophobicContact CG2-CD2 3.73Å; V70-I95 HydrophobicContact CG2-CG2 4.41Å; V70-L97 HydrophobicContact CG2-CD2 4.09Å; V70-G123 CarbonylContact O-C 3.57Å; V70-G123 WeakPolarHBondContact O-CA 3.19Å; V70-A124 HydrophobicContact CG2-CB 4.13Å; V70-A124 PolarHBondContact N-O 3.22Å; V70-A124 PolarHBondContact O-N 3.34Å; V70-I138 HydrophobicContact CB-CD1 4.23Å; V70-I138 HydrophobicContact CG1-CD1 3.74Å; V70-I138 HydrophobicContact CG2-CD1 3.42Å; V70-I138 VanDerWaalsContact CG2-CD1 3.42Å
71A98.9Very high96.8Very high15 Ų1557.9 Ų57.912%0.12430%0.299CS..EExtended strand (participates in β ladder)trans-142142.3173.300000110.9F40 R42 D90 I122 L146F40-A71 HydrophobicContact CD1-CB 3.74Å; F40-A71 HydrophobicContact CE1-CB 3.53Å; R42-A71 HydrophobicContact CB-CB 4.47Å; A71-D90 WeakPolarHBondContact O-CB 3.48Å; A71-I122 VanDerWaalsContact CA-O 3.31Å; A71-I122 WeakPolarHBondContact CA-O 3.18Å; A71-L146 HydrophobicContact CB-CD1 4.02Å
72G98.7Very high96.7Very high8 Ų863.8 Ų63.88%0.08233%0.325CS..EExtended strand (participates in β ladder)trans-177.5-172.1-177.600000113L88 Q89 I121 I122G72-L88 VanDerWaalsContact C-CD1 3.41Å; G72-L88 WeakPolarHBondContact O-CD1 3.39Å; G72-Q89 CarbonylContact C-O 3.36Å; G72-Q89 WeakPolarHBondContact CA-O 3.32Å; G72-I121 CarbonylContact O-C 3.48Å; G72-I121 WeakPolarHBondContact O-CA 3.29Å; G72-I122 PolarHBondContact N-O 3.13Å; G72-I122 PolarHBondContact O-N 3.48Å
73R98.4Very high96.8Very high67 Ų6758.7 Ų58.725%0.25330%0.303SS..EExtended strand (participates in β ladder)trans-89.1132.7179.7-170.5176-57.6-80.25.4111M75 L88 Q89 G119 I121R73-M75 HydrophobicContact CB-SD 4.31Å; R73-M75 HydrophobicContact CG-SD 4.08Å; R73-M75 PolarHBondContact O-N 3.04Å; R73-M75 VanDerWaalsContact O-N 3.11Å; R73-L88 CarbonylContact O-C 3.6Å; R73-L88 WeakPolarHBondContact O-CA 3.34Å; R73-Q89 PolarHBondContact N-O 2.94Å; R73-Q89 PolarHBondContact O-N 2.82Å; R73-G119 PolarHBondContact NH1-O 3.48Å; R73-I121 HydrophobicContact CB-CD1 3.69Å; R73-I121 HydrophobicContact CG-CD1 3.97Å
74M97.9Very high96.9Very high0 Ų054.2 Ų54.20%027%0.272CS..EExtended strand (participates in β ladder)trans-70.3103171.6-173.2179.6-6100110R77 V86 F113 W116 L118 G119 D120 I122M74-R77 HydrophobicContact SD-CB 4.15Å; M74-V86 HydrophobicContact CE-CG1 4.4Å; M74-V86 HydrophobicContact CG-CG1 3.75Å; M74-F113 HydrophobicContact CE-CD2 4.33Å; M74-F113 HydrophobicContact CE-CE2 3.95Å; M74-W116 HydrophobicContact CE-CB 4.43Å; M74-W116 HydrophobicContact CE-CE3 3.99Å; M74-L118 HydrophobicContact CG-CD2 3.93Å; M74-L118 HydrophobicContact SD-CD2 4.17Å; M74-G119 PolarHBondContact O-N 2.94Å; M74-D120 PolarHBondContact N-O 3.4Å; M74-I122 HydrophobicContact CE-CD1 3.77Å; M74-I122 HydrophobicContact CE-CG2 4.16Å
75M95.7Very high97Very high29 Ų2952.1 Ų52.114%0.14326%0.259CS..EExtended strand (participates in β ladder)trans-86.9-46.2-179-63.8-55.4-70.700111.8R73 T87 Q89 L153 I175R73-M75 HydrophobicContact CB-SD 4.31Å; R73-M75 HydrophobicContact CG-SD 4.08Å; R73-M75 PolarHBondContact O-N 3.04Å; R73-M75 VanDerWaalsContact O-N 3.11Å; M75-T87 PolarHBondContact N-O 3.45Å; M75-Q89 HydrophobicContact CG-CB 3.37Å; M75-Q89 HydrophobicContact CG-CG 4.36Å; M75-Q89 HydrophobicContact SD-CB 3.99Å; M75-L153 HydrophobicContact CE-CD1 4.29Å; M75-L153 HydrophobicContact SD-CD1 4.06Å; M75-I175 HydrophobicContact CE-CG2 3.85Å; M75-I175 HydrophobicContact SD-CG2 4.03Å
76T95.6Very high97.1Very high72 Ų7247 Ų4744%0.44223%0.232SC..EExtended strand (participates in β ladder)trans-133.2156.5178.876.90000109.8V86 T87T76-V86 WeakPolarHBondContact O-CA 3.22Å; T76-V86 WeakPolarHBondContact O-CG1 3.49Å; T76-T87 PolarHBondContact O-N 2.95Å; T76-T87 WeakPolarHBondContact OG1-CB 3.34Å; T76-T87 PolarHBondContact OG1-N 3.42Å; T76-T87 PolarHBondContact OG1-OG1 2.97Å
77R96.7Very high97.1Very high70 Ų7046.3 Ų46.326%0.26423%0.23SC..EExtended strand (participates in β ladder)trans-149.4125.7174.7-177.3-177.968.2-173.1-4.5109.8M74 I79 F85 V86 F113 K114 W116 L118M74-R77 HydrophobicContact SD-CB 4.15Å; R77-I79 HydrophobicContact CG-CG1 4.2Å; R77-F85 CarbonylContact C-O 3.57Å; R77-F85 WeakPolarHBondContact CA-O 3.46Å; R77-V86 HydrophobicContact CG-CG2 4.13Å; R77-F113 HydrophobicContact CG-CZ 3.96Å; R77-F113 PolarHBondContact NH1-O 2.92Å; R77-F113 VanDerWaalsContact NH1-O 3.08Å; R77-K114 PolarHBondContact NH1-O 2.85Å; R77-W116 PolarHBondContact NH1-O 3.15Å; R77-W116 PolarHBondContact NH2-O 3.41Å; R77-L118 HydrophobicContact CB-CD2 3.95Å
78R96Very high97.1Very high173 Ų17340.5 Ų40.565%0.65320%0.203SC*.EExtended strand (participates in β ladder)trans-117.3111.3174.4179.8177.4163.9-173.1-5.3109.8M80 S84 F85R78-M80 HydrophobicContact CG-CG 4.22Å; R78-S84 CarbonylContact O-C 3.51Å; R78-S84 WeakPolarHBondContact O-CA 3.22Å; R78-S84 WeakPolarHBondContact O-CB 3.48Å; R78-F85 PolarHBondContact N-O 2.94Å; R78-F85 PolarHBondContact O-N 2.68Å
79I94.9Very high97.1Very high77 Ų7741 Ų4140%0.39521%0.205SC..EExtended strand (participates in β ladder)trans-90.3124.8179.6-59.7174.6000109.9R77 S84 K114R77-I79 HydrophobicContact CG-CG1 4.2Å; I79-S84 WeakPolarHBondContact CA-OG 3.43Å; I79-K114 HydrophobicContact CD1-CG 4.36Å
80M94.4Very high97Very high84 Ų8441.8 Ų41.841%0.41421%0.209SC..EExtended strand (participates in β ladder)trans-120.849.5-179.7-47.3-166.4-34.200110.8R78 K82 A83 F85R78-M80 HydrophobicContact CG-CG 4.22Å; M80-K82 PolarHBondContact O-N 2.8Å; M80-A83 CarbonylContact C-O 3.55Å; M80-A83 VanDerWaalsContact CA-O 3.28Å; M80-A83 WeakPolarHBondContact CA-O 3.31Å; M80-A83 WeakPolarHBondContact CB-O 3.33Å; M80-A83 PolarHBondContact N-O 3.15Å; M80-F85 HydrophobicContact CE-CD2 4.35Å; M80-F85 HydrophobicContact CE-CE2 4.04Å; M80-F85 HydrophobicContact SD-CD2 4.28Å; M80-F85 HydrophobicContact SD-CE2 4.44Å
81G93.1Very high96.9Very high46 Ų4647 Ų4747%0.47424%0.24SC..THydrogen-bonded Turntrans73.8-96.6-177.300000112.6Y109 K114G81-Y109 WeakPolarHBondContact O-CE1 3.49Å; G81-Y109 PolarHBondContact O-OH 2.83Å; G81-Y109 VanDerWaalsContact O-OH 3.06Å; G81-K114 PolarHBondContact O-NZ 2.88Å; G81-K114 VanDerWaalsContact O-NZ 3.13Å
82K95Very high96.6Very high124 Ų12447.3 Ų47.354%0.53925%0.246SC..THydrogen-bonded Turntrans-90.4-11.5-177-67.8-175.3-179.5-176.80114.3M80 R101M80-K82 PolarHBondContact O-N 2.8Å; K82-R101 VanDerWaalsContact O-CB 3.31Å; K82-R101 WeakPolarHBondContact O-CB 3.36Å; K82-R101 PolarHBondContact O-N 3.11Å
83A97.2Very high96.5Very high12 Ų1247.6 Ų47.610%0.09925%0.249CC..EExtended strand (participates in β ladder)trans-129.7158.817300000110.3M80 Y98 V99 Y109M80-A83 CarbonylContact C-O 3.55Å; M80-A83 VanDerWaalsContact CA-O 3.28Å; M80-A83 WeakPolarHBondContact CA-O 3.31Å; M80-A83 WeakPolarHBondContact CB-O 3.33Å; M80-A83 PolarHBondContact N-O 3.15Å; A83-Y98 HydrophobicContact CB-CE2 3.66Å; A83-V99 CarbonylContact C-O 3.6Å; A83-V99 WeakPolarHBondContact CA-O 3.43Å; A83-Y109 WeakPolarHBondContact CA-OH 3.41Å; A83-Y109 PolarHBondContact N-OH 2.77Å; A83-Y109 PolarHBondContact O-OH 2.56Å; A83-Y109 VanDerWaalsContact O-OH 3.06Å
84S97.9Very high96.4Very high0 Ų049.4 Ų49.40%026%0.255CS..EExtended strand (participates in β ladder)trans-143.6153.7176.5-63.70000110.9R78 I79 V99 Y109 F113R78-S84 CarbonylContact O-C 3.51Å; R78-S84 WeakPolarHBondContact O-CA 3.22Å; R78-S84 WeakPolarHBondContact O-CB 3.48Å; I79-S84 WeakPolarHBondContact CA-OG 3.43Å; S84-V99 PolarHBondContact N-O 2.77Å; S84-V99 PolarHBondContact O-N 2.87Å; S84-Y109 PolarHBondContact OG-OH 3.25Å; S84-F113 WeakPolarHBondContact OG-CE1 3.16Å
85F98.1Very high96.4Very high42 Ų4249.5 Ų49.518%0.18426%0.256CS..EExtended strand (participates in β ladder)trans-108.7141166.3-74.2-80.9000109.9R77 R78 M80 Q96 L97 Y98 T131R77-F85 CarbonylContact C-O 3.57Å; R77-F85 WeakPolarHBondContact CA-O 3.46Å; R78-F85 PolarHBondContact N-O 2.94Å; R78-F85 PolarHBondContact O-N 2.68Å; M80-F85 HydrophobicContact CE-CD2 4.35Å; M80-F85 HydrophobicContact CE-CE2 4.04Å; M80-F85 HydrophobicContact SD-CD2 4.28Å; M80-F85 HydrophobicContact SD-CE2 4.44Å; F85-Q96 VanDerWaalsContact CD1-CD 3.45Å; F85-Q96 HydrophobicContact CD1-CG 3.76Å; F85-Q96 HydrophobicContact CE1-CG 4.44Å; F85-L97 WeakPolarHBondContact CA-O 3.5Å; F85-Y98 HydrophobicContact CD1-CD2 4.18Å; F85-Y98 AromaticContact CE1-CD2 3.61Å; F85-Y98 HydrophobicContact CE1-CD2 3.61Å; F85-Y98 HydrophobicContact CE1-CG 4.19Å; F85-Y98 HydrophobicContact CE2-CD2 4.01Å; F85-Y98 HydrophobicContact CE2-CE2 4.28Å; F85-Y98 AromaticContact CZ-CD2 3.52Å; F85-Y98 HydrophobicContact CZ-CD2 3.52Å; F85-Y98 HydrophobicContact CZ-CE2 4.05Å; F85-Y98 HydrophobicContact CZ-CG 4.41Å; F85-T131 HydrophobicContact CE1-CG2 3.72Å; F85-T131 HydrophobicContact CZ-CG2 4.08Å
86V98.4Very high96.6Very high0 Ų049.1 Ų49.10%025%0.254CS..EExtended strand (participates in β ladder)trans-131133.2177175.50000108.5M74 T76 R77 Q96 L97 V99 F113 I122M74-V86 HydrophobicContact CE-CG1 4.4Å; M74-V86 HydrophobicContact CG-CG1 3.75Å; T76-V86 WeakPolarHBondContact O-CA 3.22Å; T76-V86 WeakPolarHBondContact O-CG1 3.49Å; R77-V86 HydrophobicContact CG-CG2 4.13Å; V86-Q96 CarbonylContact O-C 3.35Å; V86-Q96 WeakPolarHBondContact O-CA 3.48Å; V86-L97 HydrophobicContact CB-CB 4.14Å; V86-L97 HydrophobicContact CB-CD1 4.35Å; V86-L97 HydrophobicContact CB-CG 4.48Å; V86-L97 HydrophobicContact CG1-CD1 4.3Å; V86-L97 PolarHBondContact N-O 3.49Å; V86-L97 PolarHBondContact O-N 3.1Å; V86-V99 HydrophobicContact CG2-CG2 4.14Å; V86-F113 HydrophobicContact CG2-CE2 3.6Å; V86-F113 HydrophobicContact CG2-CZ 3.63Å; V86-I122 HydrophobicContact CG1-CD1 4.34Å
87T98Very high96.7Very high26 Ų2645.7 Ų45.716%0.1623%0.233CC..EExtended strand (participates in β ladder)trans-91.5115.8164.5-53.20000108.6M75 T76 R94M75-T87 PolarHBondContact N-O 3.45Å; T76-T87 PolarHBondContact O-N 2.95Å; T76-T87 WeakPolarHBondContact OG1-CB 3.34Å; T76-T87 PolarHBondContact OG1-N 3.42Å; T76-T87 PolarHBondContact OG1-OG1 2.97Å; T87-R94 HydrophobicContact CG2-CB 3.79Å; T87-R94 HydrophobicContact CG2-CG 3.99Å
88L98.4Very high96.8Very high1 Ų145.2 Ų45.21%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-98.3128.4177.5-167.874.4000109.4V70 G72 R73 R94 I95 L97 I122V70-L88 HydrophobicContact CB-CD2 4.32Å; V70-L88 HydrophobicContact CG2-CD2 3.73Å; G72-L88 VanDerWaalsContact C-CD1 3.41Å; G72-L88 WeakPolarHBondContact O-CD1 3.39Å; R73-L88 CarbonylContact O-C 3.6Å; R73-L88 WeakPolarHBondContact O-CA 3.34Å; L88-R94 CarbonylContact O-C 3.56Å; L88-R94 WeakPolarHBondContact O-CA 3.17Å; L88-I95 HydrophobicContact CB-CG2 4.06Å; L88-I95 HydrophobicContact CD2-CG2 4.34Å; L88-I95 PolarHBondContact N-O 3.47Å; L88-I95 PolarHBondContact O-N 3.32Å; L88-L97 HydrophobicContact CB-CD1 4.1Å; L88-L97 HydrophobicContact CB-CG 4.12Å; L88-L97 HydrophobicContact CD1-CD1 4.35Å; L88-L97 HydrophobicContact CD2-CD1 4.22Å; L88-L97 HydrophobicContact CD2-CD2 4.41Å; L88-L97 HydrophobicContact CG-CD1 4.47Å; L88-I122 HydrophobicContact CD1-CD1 3.72Å; L88-I122 HydrophobicContact CD1-CG1 3.29Å
89Q97.8Very high96.9Very high14 Ų1437 Ų377%0.06520%0.2CC..EExtended strand (participates in β ladder)trans-110126.3177.4-174.9172.4-59.200111.5G72 R73 M75 G93 R94 I175G72-Q89 CarbonylContact C-O 3.36Å; G72-Q89 WeakPolarHBondContact CA-O 3.32Å; R73-Q89 PolarHBondContact N-O 2.94Å; R73-Q89 PolarHBondContact O-N 2.82Å; M75-Q89 HydrophobicContact CG-CB 3.37Å; M75-Q89 HydrophobicContact CG-CG 4.36Å; M75-Q89 HydrophobicContact SD-CB 3.99Å; Q89-G93 CarbonylContact C-O 3.57Å; Q89-G93 VanDerWaalsContact CA-O 3.29Å; Q89-G93 WeakPolarHBondContact CA-O 3.38Å; Q89-G93 VanDerWaalsContact CG-O 3.32Å; Q89-G93 WeakPolarHBondContact CG-O 3.45Å; Q89-R94 HydrophobicContact CB-CG 4Å; Q89-R94 HydrophobicContact CG-CG 4.04Å; Q89-I175 PolarHBondContact NE2-O 3Å
90D97.8Very high97.1Very high17 Ų1733.8 Ų33.89%0.09119%0.185CC..  trans-114.9-159.3170.971.226.6000111.1T45 S46 A71 G92 G93T45-D90 VanDerWaalsContact CA-OD2 3.24Å; T45-D90 WeakPolarHBondContact CA-OD2 3.49Å; S46-D90 PolarHBondContact N-OD2 2.94Å; S46-D90 PolarHBondContact OG-OD1 2.92Å; A71-D90 WeakPolarHBondContact O-CB 3.48Å; D90-G92 WeakPolarHBondContact OD1-CA 3.24Å; D90-G92 PolarHBondContact OD1-N 2.89Å; D90-G93 PolarHBondContact N-O 3.09Å; D90-G93 PolarHBondContact OD1-N 3.37Å
91V95Very high97.2Very high109 Ų10933.8 Ų33.866%0.66118%0.181SC*.SBendtrans-69.8-35-179.667.10000112.6T45 R181T45-V91 HydrophobicContact CG2-CG1 4.11Å; V91-R181 PolarHBondContact O-NH1 3.38Å
92G93.9Very high97.4Very high23 Ų2337 Ų3724%0.23719%0.187CC..SBendtrans-83.8-25.1-17500000113.3D47 D90D47-G92 WeakPolarHBondContact OD1-CA 3.28Å; D90-G92 WeakPolarHBondContact OD1-CA 3.24Å; D90-G92 PolarHBondContact OD1-N 2.89Å
93G95.1Very high97.5Very high14 Ų1433.2 Ų33.214%0.14418%0.176CC..  trans161-139.8-175.300000112.9S46 Q89 D90S46-G93 WeakPolarHBondContact OG-CA 3.26Å; S46-G93 PolarHBondContact OG-N 3.41Å; S46-G93 PolarHBondContact OG-O 2.77Å; Q89-G93 CarbonylContact C-O 3.57Å; Q89-G93 VanDerWaalsContact CA-O 3.29Å; Q89-G93 WeakPolarHBondContact CA-O 3.38Å; Q89-G93 VanDerWaalsContact CG-O 3.32Å; Q89-G93 WeakPolarHBondContact CG-O 3.45Å; D90-G93 PolarHBondContact N-O 3.09Å; D90-G93 PolarHBondContact OD1-N 3.37Å
94R97.3Very high97.5Very high104 Ų10433.3 Ų33.339%0.39218%0.175SC..EExtended strand (participates in β ladder)trans-128.5144.8-178.9-68.3173.1-177.7163.28.1109.4S46 H50 T87 L88 Q89S46-R94 PolarHBondContact OG-N 3.05Å; H50-R94 PolarHBondContact NE2-O 3.01Å; T87-R94 HydrophobicContact CG2-CB 3.79Å; T87-R94 HydrophobicContact CG2-CG 3.99Å; L88-R94 CarbonylContact O-C 3.56Å; L88-R94 WeakPolarHBondContact O-CA 3.17Å; Q89-R94 HydrophobicContact CB-CG 4Å; Q89-R94 HydrophobicContact CG-CG 4.04Å
95I98.6Very high97.4Very high3 Ų337 Ų372%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-133.3143.2171.3-171.362.5000109.4L49 V70 L88 L97 L136 I138L49-I95 HydrophobicContact CD1-CG1 4.34Å; V70-I95 HydrophobicContact CG2-CG2 4.41Å; L88-I95 HydrophobicContact CB-CG2 4.06Å; L88-I95 HydrophobicContact CD2-CG2 4.34Å; L88-I95 PolarHBondContact N-O 3.47Å; L88-I95 PolarHBondContact O-N 3.32Å; I95-L97 HydrophobicContact CG2-CD2 4.5Å; I95-L136 HydrophobicContact CD1-CD2 4.23Å; I95-L136 HydrophobicContact CD1-CG 4.2Å; I95-I138 HydrophobicContact CG1-CD1 3.92Å; I95-I138 HydrophobicContact CG1-CG1 4.23Å; I95-I138 HydrophobicContact CG2-CD1 4.41Å
96Q98.7Very high97.3Very high21 Ų2144.5 Ų44.510%0.09824%0.235CC..EExtended strand (participates in β ladder)trans-84.3136.2176.9-178.7165.2-108.800111F85 V86 T131 E135 S137 I138F85-Q96 VanDerWaalsContact CD1-CD 3.45Å; F85-Q96 HydrophobicContact CD1-CG 3.76Å; F85-Q96 HydrophobicContact CE1-CG 4.44Å; V86-Q96 CarbonylContact O-C 3.35Å; V86-Q96 WeakPolarHBondContact O-CA 3.48Å; Q96-T131 VanDerWaalsContact NE2-CG2 3.32Å; Q96-E135 HydrophobicContact CB-CG 4.46Å; Q96-E135 PolarHBondContact NE2-OE2 2.93Å; Q96-E135 PolarHBondContact OE1-OE2 3.14Å; Q96-S137 WeakPolarHBondContact CB-OG 3.48Å; Q96-S137 WeakPolarHBondContact CG-OG 3.35Å; Q96-S137 PolarHBondContact NE2-OG 2.76Å; Q96-S137 CarbonylContact O-C 3.59Å; Q96-S137 VanDerWaalsContact O-CA 3.24Å; Q96-S137 WeakPolarHBondContact O-CA 3.24Å; Q96-I138 PolarHBondContact O-N 3.03Å
97L98.8Very high97.2Very high0 Ų045.7 Ų45.70%025%0.247CC..EExtended strand (participates in β ladder)trans-109.6131.8171.2-48.7179.8000109.3V70 F85 V86 L88 I95 V99 I122 A124 I138 L143V70-L97 HydrophobicContact CG2-CD2 4.09Å; F85-L97 WeakPolarHBondContact CA-O 3.5Å; V86-L97 HydrophobicContact CB-CB 4.14Å; V86-L97 HydrophobicContact CB-CD1 4.35Å; V86-L97 HydrophobicContact CB-CG 4.48Å; V86-L97 HydrophobicContact CG1-CD1 4.3Å; V86-L97 PolarHBondContact N-O 3.49Å; V86-L97 PolarHBondContact O-N 3.1Å; L88-L97 HydrophobicContact CB-CD1 4.1Å; L88-L97 HydrophobicContact CB-CG 4.12Å; L88-L97 HydrophobicContact CD1-CD1 4.35Å; L88-L97 HydrophobicContact CD2-CD1 4.22Å; L88-L97 HydrophobicContact CD2-CD2 4.41Å; L88-L97 HydrophobicContact CG-CD1 4.47Å; I95-L97 HydrophobicContact CG2-CD2 4.5Å; L97-V99 HydrophobicContact CB-CG2 4.14Å; L97-I122 HydrophobicContact CD1-CD1 3.9Å; L97-A124 HydrophobicContact CD1-CB 3.93Å; L97-A124 HydrophobicContact CD2-CB 4.08Å; L97-I138 HydrophobicContact CD2-CB 3.97Å; L97-I138 HydrophobicContact CD2-CD1 3.92Å; L97-I138 HydrophobicContact CD2-CG1 4.4Å; L97-L143 HydrophobicContact CD1-CD1 4.25Å
98Y98.6Very high97.1Very high60 Ų6045.2 Ų45.224%0.23524%0.244CC..EExtended strand (participates in β ladder)trans-98.8115.9165.9178.2-115.8000109.6A83 F85 A100 F129 I138 H139 C140A83-Y98 HydrophobicContact CB-CE2 3.66Å; F85-Y98 HydrophobicContact CD1-CD2 4.18Å; F85-Y98 AromaticContact CE1-CD2 3.61Å; F85-Y98 HydrophobicContact CE1-CD2 3.61Å; F85-Y98 HydrophobicContact CE1-CG 4.19Å; F85-Y98 HydrophobicContact CE2-CD2 4.01Å; F85-Y98 HydrophobicContact CE2-CE2 4.28Å; F85-Y98 AromaticContact CZ-CD2 3.52Å; F85-Y98 HydrophobicContact CZ-CD2 3.52Å; F85-Y98 HydrophobicContact CZ-CE2 4.05Å; F85-Y98 HydrophobicContact CZ-CG 4.41Å; Y98-A100 HydrophobicContact CE1-CB 3.84Å; Y98-F129 HydrophobicContact CD1-CZ 4.18Å; Y98-F129 HydrophobicContact CG-CE1 4.4Å; Y98-F129 AromaticContact CG-CZ 3.96Å; Y98-F129 HydrophobicContact CG-CZ 3.96Å; Y98-I138 PolarHBondContact N-O 3.5Å; Y98-H139 HydrophobicContact CD1-CB 4.42Å; Y98-H139 AromaticContact CD1-CD2 3.79Å; Y98-H139 AromaticContact CD1-CG 3.85Å; Y98-H139 AromaticContact CD1-NE2 4Å; Y98-H139 AromaticContact CE1-NE2 3.95Å; Y98-C140 PolarHBondContact O-N 3.35Å
99V98.5Very high97Very high0 Ų045.3 Ų45.30%024%0.244CC..EExtended strand (participates in β ladder)trans-115.397.3-172-170.70000108.9A83 S84 V86 L97 L104 Y109 F113 L143A83-V99 CarbonylContact C-O 3.6Å; A83-V99 WeakPolarHBondContact CA-O 3.43Å; S84-V99 PolarHBondContact N-O 2.77Å; S84-V99 PolarHBondContact O-N 2.87Å; V86-V99 HydrophobicContact CG2-CG2 4.14Å; L97-V99 HydrophobicContact CB-CG2 4.14Å; V99-L104 HydrophobicContact CG1-CD1 3.57Å; V99-Y109 HydrophobicContact CG1-CD2 3.82Å; V99-Y109 HydrophobicContact CG1-CE2 4.05Å; V99-Y109 VanDerWaalsContact O-CE2 3.3Å; V99-Y109 WeakPolarHBondContact O-CE2 3.37Å; V99-F113 HydrophobicContact CB-CE1 4.42Å; V99-F113 HydrophobicContact CB-CZ 4.33Å; V99-F113 HydrophobicContact CG1-CD1 4.15Å; V99-F113 HydrophobicContact CG1-CE1 4.14Å; V99-F113 HydrophobicContact CG1-CE2 4.5Å; V99-F113 HydrophobicContact CG1-CG 4.33Å; V99-F113 HydrophobicContact CG1-CZ 4.31Å; V99-F113 HydrophobicContact CG2-CE2 4.45Å; V99-F113 HydrophobicContact CG2-CZ 4.37Å; V99-L143 HydrophobicContact CG1-CD2 3.68Å; V99-L143 HydrophobicContact CG2-CD2 4.11Å
100A97.9Very high96.9Very high9 Ų948 Ų487%0.07426%0.259CS..EExtended strand (participates in β ladder)trans-101.3132.6178.600000111.3Y98 D102 S103 L104Y98-A100 HydrophobicContact CE1-CB 3.84Å; A100-D102 PolarHBondContact O-N 2.86Å; A100-S103 PolarHBondContact O-N 2.92Å; A100-S103 VanDerWaalsContact O-N 3.08Å; A100-L104 PolarHBondContact O-N 2.98Å
101R97.5Very high96.8Very high84 Ų8451.9 Ų51.932%0.31728%0.279SS..G310 helixtrans-52.1-44.2177.9-176.7-166.566.5170.24.9112.1K82 S103 Y109K82-R101 VanDerWaalsContact O-CB 3.31Å; K82-R101 WeakPolarHBondContact O-CB 3.36Å; K82-R101 PolarHBondContact O-N 3.11Å; R101-S103 PolarHBondContact O-N 2.85Å; R101-Y109 HydrophobicContact CB-CD1 3.55Å; R101-Y109 HydrophobicContact CB-CD2 4.5Å; R101-Y109 HydrophobicContact CB-CE1 4.04Å; R101-Y109 HydrophobicContact CB-CG 3.78Å; R101-Y109 HydrophobicContact CG-CD1 3.85Å; R101-Y109 HydrophobicContact CG-CG 4.18Å
102D96.8Very high96.8Very high114 Ų11450.5 Ų50.561%0.6127%0.266SS*.G310 helixtrans-82.7-2.6-172.7-57-28.7000112.2A100A100-D102 PolarHBondContact O-N 2.86Å
103S97Very high96.9Very high44 Ų4449.4 Ų49.431%0.30826%0.255SS..G310 helixtrans-105.9-6.4175-54.70000113.5A100 R101 H139A100-S103 PolarHBondContact O-N 2.92Å; A100-S103 VanDerWaalsContact O-N 3.08Å; R101-S103 PolarHBondContact O-N 2.85Å; S103-H139 WeakPolarHBondContact CB-NE2 3.3Å; S103-H139 PolarHBondContact OG-NE2 3.2Å
104L97.6Very high97Very high14 Ų1452 Ų527%0.07326%0.262CS..SBendtrans-107.6159.9177.5-68.6-178.6000110.8V99 A100 V108 C140 L143V99-L104 HydrophobicContact CG1-CD1 3.57Å; A100-L104 PolarHBondContact O-N 2.98Å; L104-V108 HydrophobicContact CB-CB 4.41Å; L104-V108 HydrophobicContact CD1-CG1 4.08Å; L104-C140 HydrophobicContact CD2-CB 4.2Å; L104-L143 HydrophobicContact CD1-CB 4.08Å; L104-L143 HydrophobicContact CD1-CD2 4.36Å; L104-L143 HydrophobicContact CD2-CB 4Å
105P96.5Very high96.8Very high79 Ų7952.4 Ų52.451%0.51327%0.266SS..  trans-53.5146.6170.4-24.333.3000112.2G107 V108P105-G107 PolarHBondContact O-N 2.88Å; P105-V108 HydrophobicContact CB-CG2 3.87Å; P105-V108 HydrophobicContact CG-CG2 4.33Å; P105-V108 WeakPolarHBondContact O-CB 3.36Å; P105-V108 WeakPolarHBondContact O-CG2 3.47Å; P105-V108 PolarHBondContact O-N 2.99Å; P105-V108 VanDerWaalsContact O-N 3.16Å
106E95.8Very high96.8Very high199 Ų19952.6 Ų52.693%0.9327%0.267SS*.THydrogen-bonded Turntrans-54.6138.7-177.1-170.5173.7-172.900111.5V108E106-V108 PolarHBondContact O-N 2.85Å; E106-V108 VanDerWaalsContact O-N 3.15Å
107G94.6Very high96.7Very high24 Ų2452.7 Ų52.725%0.24727%0.268CS..THydrogen-bonded Turntrans80.6-26.9-178.300000115.3P105 Y109 N110 D111P105-G107 PolarHBondContact O-N 2.88Å; G107-Y109 VanDerWaalsContact C-N 3.33Å; G107-Y109 PolarHBondContact O-N 3.37Å; G107-N110 PolarHBondContact O-N 2.79Å; G107-D111 WeakPolarHBondContact CA-OD2 3.25Å; G107-D111 WeakPolarHBondContact O-CA 3.49Å; G107-D111 VanDerWaalsContact O-CB 3.26Å; G107-D111 WeakPolarHBondContact O-CB 3.33Å; G107-D111 PolarHBondContact O-N 2.8Å
108V96.3Very high96.6Very high17 Ų1754.1 Ų54.110%0.10328%0.276CS..Iπ-helixtrans-56.5-47.3-176.91760000111.5L104 P105 E106 Q112 F113L104-V108 HydrophobicContact CB-CB 4.41Å; L104-V108 HydrophobicContact CD1-CG1 4.08Å; P105-V108 HydrophobicContact CB-CG2 3.87Å; P105-V108 HydrophobicContact CG-CG2 4.33Å; P105-V108 WeakPolarHBondContact O-CB 3.36Å; P105-V108 WeakPolarHBondContact O-CG2 3.47Å; P105-V108 PolarHBondContact O-N 2.99Å; P105-V108 VanDerWaalsContact O-N 3.16Å; E106-V108 PolarHBondContact O-N 2.85Å; E106-V108 VanDerWaalsContact O-N 3.15Å; V108-Q112 WeakPolarHBondContact O-CB 3.43Å; V108-Q112 PolarHBondContact O-N 3.02Å; V108-F113 PolarHBondContact O-N 2.98Å
109Y97.5Very high96.5Very high3 Ų351.3 Ų51.31%0.01227%0.265CS..Iπ-helixtrans-68.9-49.1-176.8-176.1-98.3000113.4G81 A83 S84 V99 R101 G107 F113 K114G81-Y109 WeakPolarHBondContact O-CE1 3.49Å; G81-Y109 PolarHBondContact O-OH 2.83Å; G81-Y109 VanDerWaalsContact O-OH 3.06Å; A83-Y109 WeakPolarHBondContact CA-OH 3.41Å; A83-Y109 PolarHBondContact N-OH 2.77Å; A83-Y109 PolarHBondContact O-OH 2.56Å; A83-Y109 VanDerWaalsContact O-OH 3.06Å; S84-Y109 PolarHBondContact OG-OH 3.25Å; V99-Y109 HydrophobicContact CG1-CD2 3.82Å; V99-Y109 HydrophobicContact CG1-CE2 4.05Å; V99-Y109 VanDerWaalsContact O-CE2 3.3Å; V99-Y109 WeakPolarHBondContact O-CE2 3.37Å; R101-Y109 HydrophobicContact CB-CD1 3.55Å; R101-Y109 HydrophobicContact CB-CD2 4.5Å; R101-Y109 HydrophobicContact CB-CE1 4.04Å; R101-Y109 HydrophobicContact CB-CG 3.78Å; R101-Y109 HydrophobicContact CG-CD1 3.85Å; R101-Y109 HydrophobicContact CG-CG 4.18Å; G107-Y109 VanDerWaalsContact C-N 3.33Å; G107-Y109 PolarHBondContact O-N 3.37Å; Y109-F113 AromaticContact CD2-CD1 3.59Å; Y109-F113 HydrophobicContact CD2-CD1 3.59Å; Y109-F113 HydrophobicContact CD2-CE1 4.1Å; Y109-F113 HydrophobicContact CD2-CG 4.48Å; Y109-F113 AromaticContact CE2-CD1 3.61Å; Y109-F113 HydrophobicContact CE2-CD1 3.61Å; Y109-F113 AromaticContact CE2-CE1 3.65Å; Y109-F113 HydrophobicContact CE2-CE1 3.65Å; Y109-F113 HydrophobicContact CG-CD1 4.4Å; Y109-K114 HydrophobicContact CE1-CD 4.28Å; Y109-K114 HydrophobicContact CE1-CG 4.5Å; Y109-K114 WeakPolarHBondContact O-CG 3.42Å; Y109-K114 PolarHBondContact O-N 3.49Å; Y109-K114 VanDerWaalsContact O-N 3.14Å
110N95.5Very high96.5Very high69 Ų6951.3 Ų51.337%0.36927%0.265SS..Iπ-helixtrans-83.4-40.5-173-76.4-31.4000112.9G107 K114G107-N110 PolarHBondContact O-N 2.79Å; N110-K114 PolarHBondContact OD1-NZ 3.35Å
111D94.6Very high96.5Very high99 Ų9952.8 Ų52.853%0.52927%0.271SS..Iπ-helixtrans-91.4-21.9-171.9-57.4-43.7000113G107 K115G107-D111 WeakPolarHBondContact CA-OD2 3.25Å; G107-D111 WeakPolarHBondContact O-CA 3.49Å; G107-D111 VanDerWaalsContact O-CB 3.26Å; G107-D111 WeakPolarHBondContact O-CB 3.33Å; G107-D111 PolarHBondContact O-N 2.8Å; D111-K115 VanDerWaalsContact O-CD 3.23Å; D111-K115 WeakPolarHBondContact O-CD 3.46Å; D111-K115 VanDerWaalsContact O-CE 3.24Å; D111-K115 WeakPolarHBondContact O-CE 3.48Å; D111-K115 PolarHBondContact O-NZ 3.08Å
112Q95.3Very high96.6Very high80 Ų8048.8 Ų48.837%0.37426%0.256SS..Iπ-helixtrans-117-71.3-178.9-48.8-178.421.500112.3V108 K114 K115 W116V108-Q112 WeakPolarHBondContact O-CB 3.43Å; V108-Q112 PolarHBondContact O-N 3.02Å; Q112-K114 PolarHBondContact O-N 3.42Å; Q112-K115 WeakPolarHBondContact O-CA 3.29Å; Q112-K115 WeakPolarHBondContact O-CB 3.37Å; Q112-K115 PolarHBondContact O-N 3.22Å; Q112-W116 HydrophobicContact CB-CZ2 4Å; Q112-W116 PolarHBondContact O-N 3.25Å; Q112-W116 PolarHBondContact O-NE1 3.08Å
113F97.4Very high96.7Very high0 Ų043.4 Ų43.40%023%0.227CC..G310 helixtrans-54.5-44.7-169.8164.3-103.8000113.7M74 R77 S84 V86 V99 V108 Y109 K115 W116 L143M74-F113 HydrophobicContact CE-CD2 4.33Å; M74-F113 HydrophobicContact CE-CE2 3.95Å; R77-F113 HydrophobicContact CG-CZ 3.96Å; R77-F113 PolarHBondContact NH1-O 2.92Å; R77-F113 VanDerWaalsContact NH1-O 3.08Å; S84-F113 WeakPolarHBondContact OG-CE1 3.16Å; V86-F113 HydrophobicContact CG2-CE2 3.6Å; V86-F113 HydrophobicContact CG2-CZ 3.63Å; V99-F113 HydrophobicContact CB-CE1 4.42Å; V99-F113 HydrophobicContact CB-CZ 4.33Å; V99-F113 HydrophobicContact CG1-CD1 4.15Å; V99-F113 HydrophobicContact CG1-CE1 4.14Å; V99-F113 HydrophobicContact CG1-CE2 4.5Å; V99-F113 HydrophobicContact CG1-CG 4.33Å; V99-F113 HydrophobicContact CG1-CZ 4.31Å; V99-F113 HydrophobicContact CG2-CE2 4.45Å; V99-F113 HydrophobicContact CG2-CZ 4.37Å; V108-F113 PolarHBondContact O-N 2.98Å; Y109-F113 AromaticContact CD2-CD1 3.59Å; Y109-F113 HydrophobicContact CD2-CD1 3.59Å; Y109-F113 HydrophobicContact CD2-CE1 4.1Å; Y109-F113 HydrophobicContact CD2-CG 4.48Å; Y109-F113 AromaticContact CE2-CD1 3.61Å; Y109-F113 HydrophobicContact CE2-CD1 3.61Å; Y109-F113 AromaticContact CE2-CE1 3.65Å; Y109-F113 HydrophobicContact CE2-CE1 3.65Å; Y109-F113 HydrophobicContact CG-CD1 4.4Å; F113-K115 PolarHBondContact O-N 3.05Å; F113-W116 HydrophobicContact CB-CE3 4.32Å; F113-W116 HydrophobicContact CB-CH2 4.47Å; F113-W116 HydrophobicContact CB-CZ3 4.3Å; F113-W116 AromaticContact CD2-CE3 3.78Å; F113-W116 HydrophobicContact CD2-CE3 3.78Å; F113-W116 AromaticContact CD2-CZ3 3.95Å; F113-W116 HydrophobicContact CD2-CZ3 3.95Å; F113-W116 WeakPolarHBondContact O-CB 3.41Å; F113-W116 PolarHBondContact O-N 2.8Å; F113-W116 VanDerWaalsContact O-N 3.13Å; F113-L143 HydrophobicContact CB-CD2 4.3Å; F113-L143 HydrophobicContact CD2-CD2 3.56Å; F113-L143 HydrophobicContact CE2-CD2 4.16Å; F113-L143 HydrophobicContact CG-CD2 4.06Å
114K95.7Very high96.8Very high68 Ų6841.3 Ų41.330%0.29621%0.213SC..G310 helixtrans-60.8-25.1176.4-80.9-176.6176.1163.60113.7R77 I79 G81 Y109 N110 Q112R77-K114 PolarHBondContact NH1-O 2.85Å; I79-K114 HydrophobicContact CD1-CG 4.36Å; G81-K114 PolarHBondContact O-NZ 2.88Å; G81-K114 VanDerWaalsContact O-NZ 3.13Å; Y109-K114 HydrophobicContact CE1-CD 4.28Å; Y109-K114 HydrophobicContact CE1-CG 4.5Å; Y109-K114 WeakPolarHBondContact O-CG 3.42Å; Y109-K114 PolarHBondContact O-N 3.49Å; Y109-K114 VanDerWaalsContact O-N 3.14Å; N110-K114 PolarHBondContact OD1-NZ 3.35Å; Q112-K114 PolarHBondContact O-N 3.42Å
115K94.4Very high96.8Very high113 Ų11344.5 Ų44.549%0.49122%0.224SC..G310 helixtrans-90.8-12.6179.6-56.7-175.6-168.8152.50113.1K25 D111 Q112 F113K25-K115 WeakPolarHBondContact CD-O 3.45Å; K25-K115 VanDerWaalsContact CE-O 3.32Å; K25-K115 WeakPolarHBondContact CE-O 3.4Å; K25-K115 PolarHBondContact NZ-O 2.93Å; D111-K115 VanDerWaalsContact O-CD 3.23Å; D111-K115 WeakPolarHBondContact O-CD 3.46Å; D111-K115 VanDerWaalsContact O-CE 3.24Å; D111-K115 WeakPolarHBondContact O-CE 3.48Å; D111-K115 PolarHBondContact O-NZ 3.08Å; Q112-K115 WeakPolarHBondContact O-CA 3.29Å; Q112-K115 WeakPolarHBondContact O-CB 3.37Å; Q112-K115 PolarHBondContact O-N 3.22Å; F113-K115 PolarHBondContact O-N 3.05Å
116W97.4Very high96.9Very high8 Ų840.7 Ų40.73%0.0320%0.199CC..  trans-65.8164.2173.5-59.4-12.8000111.3M74 R77 Q112 F113 D120 I122 L143 R144 L145M74-W116 HydrophobicContact CE-CB 4.43Å; M74-W116 HydrophobicContact CE-CE3 3.99Å; R77-W116 PolarHBondContact NH1-O 3.15Å; R77-W116 PolarHBondContact NH2-O 3.41Å; Q112-W116 HydrophobicContact CB-CZ2 4Å; Q112-W116 PolarHBondContact O-N 3.25Å; Q112-W116 PolarHBondContact O-NE1 3.08Å; F113-W116 HydrophobicContact CB-CE3 4.32Å; F113-W116 HydrophobicContact CB-CH2 4.47Å; F113-W116 HydrophobicContact CB-CZ3 4.3Å; F113-W116 AromaticContact CD2-CE3 3.78Å; F113-W116 HydrophobicContact CD2-CE3 3.78Å; F113-W116 AromaticContact CD2-CZ3 3.95Å; F113-W116 HydrophobicContact CD2-CZ3 3.95Å; F113-W116 WeakPolarHBondContact O-CB 3.41Å; F113-W116 PolarHBondContact O-N 2.8Å; F113-W116 VanDerWaalsContact O-N 3.13Å; W116-D120 WeakPolarHBondContact CB-OD2 3.41Å; W116-I122 HydrophobicContact CE3-CG2 3.65Å; W116-I122 HydrophobicContact CZ3-CB 4.34Å; W116-I122 HydrophobicContact CZ3-CG2 3.72Å; W116-L143 HydrophobicContact CH2-CD2 4.17Å; W116-L143 HydrophobicContact CH2-CG 4Å; W116-L143 HydrophobicContact CZ3-CD2 3.73Å; W116-L143 HydrophobicContact CZ3-CG 3.79Å; W116-R144 VanDerWaalsContact CH2-C 3.46Å; W116-L145 HydrophobicContact CD2-CB 4.23Å; W116-L145 HydrophobicContact CD2-CD1 4.4Å; W116-L145 HydrophobicContact CG-CD1 4.45Å; W116-L145 HydrophobicContact CH2-CB 4.34Å; W116-L145 HydrophobicContact CZ2-CB 3.75Å
117D97.2Very high97Very high23 Ų2332.8 Ų32.812%0.12317%0.165CC..  trans-123.4155.6-174.6-65-59.8000111.2R22 K25 D120 K148R22-D117 VanDerWaalsContact CZ-CB 3.5Å; R22-D117 VanDerWaalsContact NH1-CB 3.33Å; K25-D117 WeakPolarHBondContact CD-OD2 3.42Å; K25-D117 IonicContact NZ-OD1 2.71Å; K25-D117 PolarHBondContact NZ-OD1 2.84Å; K25-D117 IonicContact NZ-OD2 2.66Å; K25-D117 PolarHBondContact NZ-OD2 3.24Å; D117-D120 PolarHBondContact N-OD2 3Å; D117-D120 WeakPolarHBondContact O-CB 3.4Å; D117-D120 PolarHBondContact O-N 3.44Å; D117-D120 VanDerWaalsContact O-N 3.14Å; D117-K148 WeakPolarHBondContact OD2-CE 3.32Å; D117-K148 IonicContact OD2-NZ 3.45Å; D117-K148 PolarHBondContact OD2-NZ 3.46Å
118L96.2Very high97.2Very high30 Ų3031.8 Ų31.816%0.15715%0.154CC..THydrogen-bonded Turntrans-59.2142169.3-58178.5000109.6R22 M74 R77 D120 K156R22-L118 PolarHBondContact NH1-O 3.39Å; R22-L118 PolarHBondContact NH2-O 2.94Å; M74-L118 HydrophobicContact CG-CD2 3.93Å; M74-L118 HydrophobicContact SD-CD2 4.17Å; R77-L118 HydrophobicContact CB-CD2 3.95Å; L118-D120 VanDerWaalsContact C-N 3.33Å; L118-K156 HydrophobicContact CD1-CD 4.08Å
119G96.6Very high97.3Very high1 Ų132.6 Ų32.61%0.0116%0.155CC..THydrogen-bonded Turntrans90.3-18-172.100000114.5R73 M74 A149R73-G119 PolarHBondContact NH1-O 3.48Å; M74-G119 PolarHBondContact O-N 2.94Å; G119-A149 VanDerWaalsContact C-CB 3.42Å; G119-A149 WeakPolarHBondContact O-CB 3.29Å
120D98.5Very high97.3Very high0 Ų034.2 Ų34.20%016%0.163CC..  trans-58.9145.6172.9-73.4-14000110.7M74 W116 D117 L118 L145 K148 A149M74-D120 PolarHBondContact N-O 3.4Å; W116-D120 WeakPolarHBondContact CB-OD2 3.41Å; D117-D120 PolarHBondContact N-OD2 3Å; D117-D120 WeakPolarHBondContact O-CB 3.4Å; D117-D120 PolarHBondContact O-N 3.44Å; D117-D120 VanDerWaalsContact O-N 3.14Å; L118-D120 VanDerWaalsContact C-N 3.33Å; D120-L145 HydrophobicContact CB-CD1 3.63Å; D120-K148 WeakPolarHBondContact OD1-CD 3.34Å; D120-K148 IonicContact OD1-NZ 3.62Å; D120-K148 PolarHBondContact OD1-NZ 3.31Å; D120-K148 IonicContact OD2-NZ 2.78Å; D120-K148 PolarHBondContact OD2-NZ 3.21Å; D120-A149 PolarHBondContact OD1-N 3.33Å
121I98.8Very high97.4Very high40 Ų4032 Ų3221%0.20515%0.151CC..EExtended strand (participates in β ladder)trans-93.6127.6171.8-53-58.5000108.3G72 R73 L146 T147G72-I121 CarbonylContact O-C 3.48Å; G72-I121 WeakPolarHBondContact O-CA 3.29Å; R73-I121 HydrophobicContact CB-CD1 3.69Å; R73-I121 HydrophobicContact CG-CD1 3.97Å; I121-L146 HydrophobicContact CB-CB 4.47Å; I121-L146 HydrophobicContact CG2-CB 4.17Å; I121-L146 HydrophobicContact CG2-CD1 4.26Å; I121-L146 WeakPolarHBondContact O-CB 3.32Å; I121-L146 PolarHBondContact O-N 3.39Å; I121-T147 PolarHBondContact N-O 3.47Å; I121-T147 PolarHBondContact O-N 2.97Å; I121-T147 VanDerWaalsContact O-N 3.12Å
122I98.8Very high97.3Very high0 Ų037.2 Ų37.20%017%0.173CC..EExtended strand (participates in β ladder)trans-128.9152.3-17862.7168.3000110.8A71 G72 M74 V86 L88 L97 W116 L143 R144 L145A71-I122 VanDerWaalsContact CA-O 3.31Å; A71-I122 WeakPolarHBondContact CA-O 3.18Å; G72-I122 PolarHBondContact N-O 3.13Å; G72-I122 PolarHBondContact O-N 3.48Å; M74-I122 HydrophobicContact CE-CD1 3.77Å; M74-I122 HydrophobicContact CE-CG2 4.16Å; V86-I122 HydrophobicContact CG1-CD1 4.34Å; L88-I122 HydrophobicContact CD1-CD1 3.72Å; L88-I122 HydrophobicContact CD1-CG1 3.29Å; L97-I122 HydrophobicContact CD1-CD1 3.9Å; W116-I122 HydrophobicContact CE3-CG2 3.65Å; W116-I122 HydrophobicContact CZ3-CB 4.34Å; W116-I122 HydrophobicContact CZ3-CG2 3.72Å; I122-L143 HydrophobicContact CD1-CD1 4.07Å; I122-R144 CarbonylContact C-O 3.6Å; I122-R144 VanDerWaalsContact CA-O 3.25Å; I122-R144 WeakPolarHBondContact CA-O 3.33Å; I122-R144 WeakPolarHBondContact CB-O 3.48Å; I122-L145 HydrophobicContact CG2-CD1 4.13Å
123G98.8Very high97.2Very high0 Ų039.2 Ų39.20%019%0.191CC..EExtended strand (participates in β ladder)trans-111.2139.2169.200000109.7V70 L143 R144V70-G123 CarbonylContact O-C 3.57Å; V70-G123 WeakPolarHBondContact O-CA 3.19Å; G123-L143 WeakPolarHBondContact O-CA 3.48Å; G123-R144 PolarHBondContact N-O 3.14Å; G123-R144 PolarHBondContact O-N 3.4Å
124A98.8Very high97.1Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-132.9140.4-179.900000110.2S69 V70 L97 E142 L143S69-A124 WeakPolarHBondContact CA-O 3.46Å; V70-A124 HydrophobicContact CG2-CB 4.13Å; V70-A124 PolarHBondContact N-O 3.22Å; V70-A124 PolarHBondContact O-N 3.34Å; L97-A124 HydrophobicContact CD1-CB 3.93Å; L97-A124 HydrophobicContact CD2-CB 4.08Å; A124-E142 WeakPolarHBondContact CA-O 3.23Å; A124-L143 HydrophobicContact CB-CD1 3.66Å
125R98.8Very high97.2Very high81 Ų8141.9 Ų41.931%0.30622%0.215SC..EExtended strand (participates in β ladder)trans-123.6148.1164-55.2-170176.6141.5-6.1110.1F40 V68 S69 C140 T141 E142F40-R125 HydrophobicContact CE2-CG 4.23Å; F40-R125 HydrophobicContact CZ-CG 4.47Å; V68-R125 VanDerWaalsContact O-CA 3.25Å; V68-R125 WeakPolarHBondContact O-CA 3.35Å; S69-R125 PolarHBondContact OG-NE 2.87Å; R125-C140 CarbonylContact O-C 3.56Å; R125-C140 WeakPolarHBondContact O-CA 3.44Å; R125-T141 PolarHBondContact O-N 2.74Å; R125-T141 PolarHBondContact O-OG1 2.67Å; R125-E142 HydrophobicContact CB-CB 3.89Å; R125-E142 VanDerWaalsContact CD-OE2 3.32Å; R125-E142 WeakPolarHBondContact CD-OE2 3.48Å; R125-E142 HydrophobicContact CG-CB 4.25Å; R125-E142 IonicContact CZ-OE2 2.81Å; R125-E142 PolarHBondContact N-O 3.19Å; R125-E142 IonicContact NE-OE2 3.47Å; R125-E142 IonicContact NH1-OE2 2.92Å; R125-E142 PolarHBondContact NH1-OE2 3.13Å; R125-E142 PolarHBondContact O-N 3.33Å
126G98.4Very high97.4Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans171-174.6-178.400000112.5E67 V68 H139E67-G126 CarbonylContact C-O 3.57Å; E67-G126 WeakPolarHBondContact CA-O 3.5Å; V68-G126 PolarHBondContact N-O 3.19Å; V68-G126 PolarHBondContact O-N 2.96Å; V68-G126 VanDerWaalsContact O-N 3.11Å; G126-H139 WeakPolarHBondContact CA-O 3.11Å
127T98.4Very high97.5Very high33 Ų3336.2 Ų36.220%0.20219%0.191CC..EExtended strand (participates in β ladder)trans-100.4143.9-178.351.50000111.7N65 I66 I138 H139N65-T127 WeakPolarHBondContact OD1-CG2 3.17Å; I66-T127 CarbonylContact O-C 3.58Å; I66-T127 VanDerWaalsContact O-CA 3.26Å; I66-T127 WeakPolarHBondContact O-CA 3.35Å; T127-I138 WeakPolarHBondContact O-CA 3.49Å; T127-H139 PolarHBondContact N-O 2.96Å; T127-H139 PolarHBondContact O-N 3.24Å
128L98.4Very high97.5Very high3 Ų335.1 Ų35.12%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-72.3138.6176.2-68.2175.1000111.3L49 F53 L61 I66 V68 L136 S137 I138L49-L128 HydrophobicContact CD1-CD2 4.49Å; L49-L128 HydrophobicContact CD2-CD1 4.28Å; L49-L128 HydrophobicContact CD2-CD2 4.5Å; F53-L128 HydrophobicContact CB-CD1 4.43Å; F53-L128 HydrophobicContact CD1-CD1 4.36Å; F53-L128 HydrophobicContact CD2-CD1 3.41Å; F53-L128 VanDerWaalsContact CD2-CD1 3.41Å; F53-L128 HydrophobicContact CE2-CD1 3.67Å; F53-L128 HydrophobicContact CG-CD1 3.8Å; F53-L128 HydrophobicContact CZ-CD1 4.25Å; L61-L128 HydrophobicContact CD2-CB 4.36Å; I66-L128 HydrophobicContact CB-CD1 4.16Å; I66-L128 HydrophobicContact CG2-CD1 3.97Å; I66-L128 PolarHBondContact O-N 3.26Å; V68-L128 HydrophobicContact CG1-CD1 4.02Å; V68-L128 HydrophobicContact CG1-CD2 4.46Å; V68-L128 HydrophobicContact CG1-CG 4.05Å; V68-L128 HydrophobicContact CG2-CD2 3.98Å; V68-L128 HydrophobicContact CG2-CG 4.18Å; L128-L136 HydrophobicContact CD2-CD1 4.4Å; L128-S137 WeakPolarHBondContact CA-O 3.48Å; L128-I138 HydrophobicContact CD2-CG1 3.89Å
129F98.3Very high97.6Very high33 Ų3336.3 Ų36.315%0.14519%0.19CC..EExtended strand (participates in β ladder)trans-154.9173.7171.780.5-69.6000109.8Y98 T131 S137 H139Y98-F129 HydrophobicContact CD1-CZ 4.18Å; Y98-F129 HydrophobicContact CG-CE1 4.4Å; Y98-F129 AromaticContact CG-CZ 3.96Å; Y98-F129 HydrophobicContact CG-CZ 3.96Å; F129-T131 HydrophobicContact CE2-CG2 4.04Å; F129-T131 HydrophobicContact CZ-CG2 4.14Å; F129-S137 WeakPolarHBondContact CD1-O 3.47Å; F129-S137 PolarHBondContact N-O 2.98Å; F129-S137 PolarHBondContact O-N 3.48Å; F129-S137 VanDerWaalsContact O-O 3.07Å; F129-H139 HydrophobicContact CD1-CB 3.88Å; F129-H139 HydrophobicContact CE1-CB 3.9Å
130K98Very high97.7Very high37 Ų3736.3 Ų36.316%0.16119%0.189CC..EExtended strand (participates in β ladder)trans-114.8139.9171.3-83-178.7170.4-177.80111.5D54 K56 N58 L61 G134 L136D54-K130 PolarHBondContact O-NZ 3.22Å; K56-K130 WeakPolarHBondContact O-CD 3.45Å; K56-K130 VanDerWaalsContact O-CE 3.23Å; K56-K130 WeakPolarHBondContact O-CE 3.34Å; K56-K130 PolarHBondContact O-NZ 2.95Å; N58-K130 HydrophobicContact CB-CB 4.09Å; N58-K130 PolarHBondContact OD1-N 3.46Å; N58-K130 PolarHBondContact OD1-O 2.7Å; L61-K130 HydrophobicContact CD1-CD 4.33Å; L61-K130 HydrophobicContact CD1-CG 3.93Å; K130-G134 WeakPolarHBondContact CD-O 3.44Å; K130-G134 WeakPolarHBondContact CE-O 3.5Å; K130-L136 HydrophobicContact CG-CD1 4.42Å
131T95.9Very high97.7Very high22 Ų2239.5 Ų39.514%0.13521%0.209CC..  trans-74.4173.2173.759.70000111.7F85 Q96 F129 T133 G134 E135 S137F85-T131 HydrophobicContact CE1-CG2 3.72Å; F85-T131 HydrophobicContact CZ-CG2 4.08Å; Q96-T131 VanDerWaalsContact NE2-CG2 3.32Å; F129-T131 HydrophobicContact CE2-CG2 4.04Å; F129-T131 HydrophobicContact CZ-CG2 4.14Å; T131-T133 PolarHBondContact O-N 2.91Å; T131-T133 VanDerWaalsContact O-N 3.13Å; T131-T133 PolarHBondContact OG1-OG1 2.88Å; T131-G134 WeakPolarHBondContact O-CA 3.46Å; T131-G134 PolarHBondContact O-N 3.04Å; T131-E135 PolarHBondContact N-O 2.96Å; T131-E135 VanDerWaalsContact N-O 3.08Å; T131-E135 PolarHBondContact OG1-N 2.7Å; T131-E135 PolarHBondContact OG1-O 2.65Å; T131-S137 WeakPolarHBondContact CG2-OG 3.43Å
132Q93.8Very high97.7Very high210 Ų21040.3 Ų40.398%0.98121%0.212SC*.THydrogen-bonded Turntrans-60.1-21.8175.5-65.3179.6200113.5G134Q132-G134 VanDerWaalsContact C-N 3.28Å
133T93.7Very high97.7Very high121 Ų12140.7 Ų40.774%0.74221%0.214SC*.THydrogen-bonded Turntrans-850.1174.151.40000113T131 E135T131-T133 PolarHBondContact O-N 2.91Å; T131-T133 VanDerWaalsContact O-N 3.13Å; T131-T133 PolarHBondContact OG1-OG1 2.88Å; T133-E135 VanDerWaalsContact C-N 3.3Å
134G95.2Very high97.6Very high41 Ų4142.8 Ų42.842%0.42322%0.222SC..  trans81.93.2-178.500000114.6K130 T131 Q132K130-G134 WeakPolarHBondContact CD-O 3.44Å; K130-G134 WeakPolarHBondContact CE-O 3.5Å; T131-G134 WeakPolarHBondContact O-CA 3.46Å; T131-G134 PolarHBondContact O-N 3.04Å; Q132-G134 VanDerWaalsContact C-N 3.28Å
135E97Very high97.6Very high83 Ų8343.7 Ų43.739%0.38823%0.227SC..  trans-76.7125-178.4-173.7177.9-176.400111Q96 T131 T133 S137Q96-E135 HydrophobicContact CB-CG 4.46Å; Q96-E135 PolarHBondContact NE2-OE2 2.93Å; Q96-E135 PolarHBondContact OE1-OE2 3.14Å; T131-E135 PolarHBondContact N-O 2.96Å; T131-E135 VanDerWaalsContact N-O 3.08Å; T131-E135 PolarHBondContact OG1-N 2.7Å; T131-E135 PolarHBondContact OG1-O 2.65Å; T133-E135 VanDerWaalsContact C-N 3.3Å; E135-S137 PolarHBondContact O-N 2.83Å; E135-S137 PolarHBondContact O-OG 3.33Å
136L98.5Very high97.6Very high2 Ų240.7 Ų40.71%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-60.1130.7175.7-174.767.4000110.6L49 F53 L61 I95 L128 K130L49-L136 HydrophobicContact CB-CD2 4.29Å; L49-L136 WeakPolarHBondContact O-CD2 3.13Å; F53-L136 HydrophobicContact CB-CD1 4.12Å; F53-L136 HydrophobicContact CB-CD2 4.03Å; L61-L136 HydrophobicContact CD1-CD1 3.79Å; I95-L136 HydrophobicContact CD1-CD2 4.23Å; I95-L136 HydrophobicContact CD1-CG 4.2Å; L128-L136 HydrophobicContact CD2-CD1 4.4Å; K130-L136 HydrophobicContact CG-CD1 4.42Å
137S98.6Very high97.6Very high0 Ų043.6 Ų43.60%023%0.234CC..EExtended strand (participates in β ladder)trans-146158.6-171.2-620000112.4Q96 L128 F129 T131 E135Q96-S137 WeakPolarHBondContact CB-OG 3.48Å; Q96-S137 WeakPolarHBondContact CG-OG 3.35Å; Q96-S137 PolarHBondContact NE2-OG 2.76Å; Q96-S137 CarbonylContact O-C 3.59Å; Q96-S137 VanDerWaalsContact O-CA 3.24Å; Q96-S137 WeakPolarHBondContact O-CA 3.24Å; L128-S137 WeakPolarHBondContact CA-O 3.48Å; F129-S137 WeakPolarHBondContact CD1-O 3.47Å; F129-S137 PolarHBondContact N-O 2.98Å; F129-S137 PolarHBondContact O-N 3.48Å; F129-S137 VanDerWaalsContact O-O 3.07Å; T131-S137 WeakPolarHBondContact CG2-OG 3.43Å; E135-S137 PolarHBondContact O-N 2.83Å; E135-S137 PolarHBondContact O-OG 3.33Å
138I98.7Very high97.6Very high0 Ų042.4 Ų42.40%023%0.226CC..EExtended strand (participates in β ladder)trans-109.8116.2176.1-59167.3000109.2L49 V68 V70 I95 Q96 L97 Y98 T127 L128 C140L49-I138 HydrophobicContact CD1-CD1 4.22Å; V68-I138 HydrophobicContact CG2-CD1 3.75Å; V68-I138 HydrophobicContact CG2-CG1 3.86Å; V68-I138 HydrophobicContact CG2-CG2 4.2Å; V70-I138 HydrophobicContact CB-CD1 4.23Å; V70-I138 HydrophobicContact CG1-CD1 3.74Å; V70-I138 HydrophobicContact CG2-CD1 3.42Å; V70-I138 VanDerWaalsContact CG2-CD1 3.42Å; I95-I138 HydrophobicContact CG1-CD1 3.92Å; I95-I138 HydrophobicContact CG1-CG1 4.23Å; I95-I138 HydrophobicContact CG2-CD1 4.41Å; Q96-I138 PolarHBondContact O-N 3.03Å; L97-I138 HydrophobicContact CD2-CB 3.97Å; L97-I138 HydrophobicContact CD2-CD1 3.92Å; L97-I138 HydrophobicContact CD2-CG1 4.4Å; Y98-I138 PolarHBondContact N-O 3.5Å; T127-I138 WeakPolarHBondContact O-CA 3.49Å; L128-I138 HydrophobicContact CD2-CG1 3.89Å; I138-C140 PolarHBondContact O-N 3.5Å
139H98.5Very high97.6Very high56 Ų5643 Ų4326%0.25923%0.232SC..EExtended strand (participates in β ladder)trans-76.5100.8170.7-170.3159.5000108.7Y98 S103 G126 T127 F129 T141Y98-H139 HydrophobicContact CD1-CB 4.42Å; Y98-H139 AromaticContact CD1-CD2 3.79Å; Y98-H139 AromaticContact CD1-CG 3.85Å; Y98-H139 AromaticContact CD1-NE2 4Å; Y98-H139 AromaticContact CE1-NE2 3.95Å; S103-H139 WeakPolarHBondContact CB-NE2 3.3Å; S103-H139 PolarHBondContact OG-NE2 3.2Å; G126-H139 WeakPolarHBondContact CA-O 3.11Å; T127-H139 PolarHBondContact N-O 2.96Å; T127-H139 PolarHBondContact O-N 3.24Å; F129-H139 HydrophobicContact CD1-CB 3.88Å; F129-H139 HydrophobicContact CE1-CB 3.9Å; H139-T141 PolarHBondContact O-N 2.81Å
140C98.6Very high97.5Very high0 Ų044.4 Ų44.40%024%0.24CC..EExtended strand (participates in β ladder)trans-70.9126.6-170.8-60.30000112.3Y98 L104 R125 I138Y98-C140 PolarHBondContact O-N 3.35Å; L104-C140 HydrophobicContact CD2-CB 4.2Å; R125-C140 CarbonylContact O-C 3.56Å; R125-C140 WeakPolarHBondContact O-CA 3.44Å; I138-C140 PolarHBondContact O-N 3.5Å
141T98.3Very high97.3Very high67 Ų6750 Ų5041%0.41126%0.26SS..EExtended strand (participates in β ladder)trans-104.7-26.616954.10000111.6R125 H139R125-T141 PolarHBondContact O-N 2.74Å; R125-T141 PolarHBondContact O-OG1 2.67Å; H139-T141 PolarHBondContact O-N 2.81Å
142E98.5Very high97.2Very high57 Ų5750.2 Ų50.227%0.26626%0.262SS..EExtended strand (participates in β ladder)trans-125.1136.5169.4-166.3-168.7143.200109.2A124 R125 R144A124-E142 WeakPolarHBondContact CA-O 3.23Å; R125-E142 HydrophobicContact CB-CB 3.89Å; R125-E142 VanDerWaalsContact CD-OE2 3.32Å; R125-E142 WeakPolarHBondContact CD-OE2 3.48Å; R125-E142 HydrophobicContact CG-CB 4.25Å; R125-E142 IonicContact CZ-OE2 2.81Å; R125-E142 PolarHBondContact N-O 3.19Å; R125-E142 IonicContact NE-OE2 3.47Å; R125-E142 IonicContact NH1-OE2 2.92Å; R125-E142 PolarHBondContact NH1-OE2 3.13Å; R125-E142 PolarHBondContact O-N 3.33Å; E142-R144 IonicContact OE1-NE 3.28Å; E142-R144 PolarHBondContact OE1-NE 3.5Å
143L98.3Very high97.1Very high8 Ų842 Ų424%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-146.3130.4173.4-167.973.3000110L97 V99 L104 F113 W116 I122 G123 A124L97-L143 HydrophobicContact CD1-CD1 4.25Å; V99-L143 HydrophobicContact CG1-CD2 3.68Å; V99-L143 HydrophobicContact CG2-CD2 4.11Å; L104-L143 HydrophobicContact CD1-CB 4.08Å; L104-L143 HydrophobicContact CD1-CD2 4.36Å; L104-L143 HydrophobicContact CD2-CB 4Å; F113-L143 HydrophobicContact CB-CD2 4.3Å; F113-L143 HydrophobicContact CD2-CD2 3.56Å; F113-L143 HydrophobicContact CE2-CD2 4.16Å; F113-L143 HydrophobicContact CG-CD2 4.06Å; W116-L143 HydrophobicContact CH2-CD2 4.17Å; W116-L143 HydrophobicContact CH2-CG 4Å; W116-L143 HydrophobicContact CZ3-CD2 3.73Å; W116-L143 HydrophobicContact CZ3-CG 3.79Å; I122-L143 HydrophobicContact CD1-CD1 4.07Å; G123-L143 WeakPolarHBondContact O-CA 3.48Å; A124-L143 HydrophobicContact CB-CD1 3.66Å
144R97.4Very high96.5Very high45 Ų4537.5 Ų37.517%0.1720%0.198CC..EExtended strand (participates in β ladder)trans-146.6150.6179.159.5177.5172.5143-26.6114.5D39 F40 W116 I122 G123 E142 L146D39-R144 IonicContact OD1-CZ 2.65Å; D39-R144 IonicContact OD1-NH1 2.76Å; D39-R144 PolarHBondContact OD1-NH1 2.97Å; D39-R144 IonicContact OD1-NH2 2.91Å; D39-R144 IonicContact OD2-CZ 3.8Å; D39-R144 VanDerWaalsContact OD2-CZ 3.28Å; D39-R144 IonicContact OD2-NH1 2.78Å; D39-R144 PolarHBondContact OD2-NH1 3.1Å; D39-R144 IonicContact OD2-NH2 3.89Å; D39-R144 PolarHBondContact OD2-NH2 3.34Å; F40-R144 VanDerWaalsContact CB-CZ 3.46Å; W116-R144 VanDerWaalsContact CH2-C 3.46Å; I122-R144 CarbonylContact C-O 3.6Å; I122-R144 VanDerWaalsContact CA-O 3.25Å; I122-R144 WeakPolarHBondContact CA-O 3.33Å; I122-R144 WeakPolarHBondContact CB-O 3.48Å; G123-R144 PolarHBondContact N-O 3.14Å; G123-R144 PolarHBondContact O-N 3.4Å; E142-R144 IonicContact OE1-NE 3.28Å; E142-R144 PolarHBondContact OE1-NE 3.5Å; R144-L146 HydrophobicContact CG-CD2 4.04Å
145L98.5Very high95.3Very high19 Ų1940.5 Ų40.510%0.09920%0.204CC..EExtended strand (participates in β ladder)trans-78.1129.2171.3-175.966.4000110.1L29 W116 D120 I122 K148L29-L145 HydrophobicContact CD1-CD2 3.46Å; L29-L145 VanDerWaalsContact CD1-CD2 3.46Å; L29-L145 HydrophobicContact CD2-CD2 4.2Å; W116-L145 HydrophobicContact CD2-CB 4.23Å; W116-L145 HydrophobicContact CD2-CD1 4.4Å; W116-L145 HydrophobicContact CG-CD1 4.45Å; W116-L145 HydrophobicContact CH2-CB 4.34Å; W116-L145 HydrophobicContact CZ2-CB 3.75Å; D120-L145 HydrophobicContact CB-CD1 3.63Å; I122-L145 HydrophobicContact CG2-CD1 4.13Å; L145-K148 HydrophobicContact CD2-CD 4.26Å
146L98.6Very high93.3Very high18 Ų1844 Ų449%0.09422%0.218CC..EExtended strand (participates in β ladder)trans-103.9-44.4176.7-55.1-178.6000111.4P37 F40 A71 I121 R144P37-L146 WeakPolarHBondContact CD-O 3.25Å; P37-L146 HydrophobicContact CG-CD2 4.43Å; F40-L146 HydrophobicContact CB-CD1 4.1Å; F40-L146 HydrophobicContact CB-CD2 3.64Å; F40-L146 HydrophobicContact CD1-CD1 4Å; F40-L146 HydrophobicContact CG-CD1 4.2Å; F40-L146 HydrophobicContact CG-CD2 4.16Å; A71-L146 HydrophobicContact CB-CD1 4.02Å; I121-L146 HydrophobicContact CB-CB 4.47Å; I121-L146 HydrophobicContact CG2-CB 4.17Å; I121-L146 HydrophobicContact CG2-CD1 4.26Å; I121-L146 WeakPolarHBondContact O-CB 3.32Å; I121-L146 PolarHBondContact O-N 3.39Å; R144-L146 HydrophobicContact CG-CD2 4.04Å
147T98.7Very high91.1Very high61 Ų6152.1 Ų52.137%0.37425%0.253SS..EExtended strand (participates in β ladder)trans-141.7125-179.4-53.20000110.4F36 I121F36-T147 HydrophobicContact CD1-CG2 4.04Å; F36-T147 HydrophobicContact CE1-CG2 3.93Å; I121-T147 PolarHBondContact N-O 3.47Å; I121-T147 PolarHBondContact O-N 2.97Å; I121-T147 VanDerWaalsContact O-N 3.12Å
148K98.4Very high89.1Confident8 Ų858.1 Ų58.14%0.03528%0.281CS..  trans-76.9122.3172.7-172.271.1-159.3162.10111.1L26 L29 D117 D120 L145 L150L26-K148 HydrophobicContact CB-CG 4.36Å; L26-K148 HydrophobicContact CD1-CB 4.22Å; L29-K148 HydrophobicContact CD1-CB 4.36Å; L29-K148 HydrophobicContact CD1-CD 4.03Å; L29-K148 HydrophobicContact CD1-CG 4.37Å; D117-K148 WeakPolarHBondContact OD2-CE 3.32Å; D117-K148 IonicContact OD2-NZ 3.45Å; D117-K148 PolarHBondContact OD2-NZ 3.46Å; D120-K148 WeakPolarHBondContact OD1-CD 3.34Å; D120-K148 IonicContact OD1-NZ 3.62Å; D120-K148 PolarHBondContact OD1-NZ 3.31Å; D120-K148 IonicContact OD2-NZ 2.78Å; D120-K148 PolarHBondContact OD2-NZ 3.21Å; L145-K148 HydrophobicContact CD2-CD 4.26Å; K148-L150 PolarHBondContact O-N 3.01Å
149A97.7Very high87.5Confident16 Ų1659.4 Ų59.413%0.13229%0.294CS..  trans-80.4113170.700000109.9R22 G119 D120R22-A149 WeakPolarHBondContact CD-O 3.41Å; R22-A149 PolarHBondContact NH1-O 3.33Å; G119-A149 VanDerWaalsContact C-CB 3.42Å; G119-A149 WeakPolarHBondContact O-CB 3.29Å; D120-A149 PolarHBondContact OD1-N 3.33Å
150L97Very high86.5Confident61 Ų6157.7 Ų57.732%0.31929%0.287SS..SBendtrans-78-24.8177.9-71.9178.5000113.2L19 R22 R23 L26 K148L19-L150 WeakPolarHBondContact CD1-O 3.47Å; R22-L150 HydrophobicContact CB-CD2 4.45Å; R22-L150 VanDerWaalsContact CD-O 3.25Å; R22-L150 WeakPolarHBondContact CD-O 3.31Å; R23-L150 HydrophobicContact CG-CD2 4.09Å; L26-L150 HydrophobicContact CB-CD2 4.07Å; L26-L150 HydrophobicContact CD2-CD1 4.06Å; L26-L150 HydrophobicContact CD2-CD2 3.79Å; L26-L150 HydrophobicContact CD2-CG 4.27Å; K148-L150 PolarHBondContact O-N 3.01Å
151R94.2Very high85.5Confident155 Ų15564.4 Ų64.459%0.58532%0.318SS*.SBendtrans-109.2144.8174.7-67.3-177.5179.8-84.38109.9L19L19-R151 HydrophobicContact CD1-CG 3.96Å
152P92.4Very high85Confident26 Ų2665.4 Ų65.417%0.16932%0.321CS..PPolyproline II helixtrans-65162.9171.125.4-31.4000112.5F15 E18F15-P152 HydrophobicContact CD2-CG 3.81Å; F15-P152 HydrophobicContact CE2-CG 3.74Å; E18-P152 VanDerWaalsContact OE2-CB 3.32Å; E18-P152 WeakPolarHBondContact OE2-CB 3.49Å; E18-P152 WeakPolarHBondContact OE2-CG 3.36Å
153L91.3Very high84.4Confident38 Ų3868.1 Ų68.120%0.19933%0.334CS..PPolyproline II helixtrans-70.5159.4167.5-68.8178.2000110.8M75 I175M75-L153 HydrophobicContact CE-CD1 4.29Å; M75-L153 HydrophobicContact SD-CD1 4.06Å; L153-I175 HydrophobicContact CD2-CG2 3.98Å
154P82.2Confident83.9Confident27 Ų2772.1 Ų72.118%0.17535%0.352CS..SBendtrans-56.4157.4169-16.128.9000111.1K156 L160 L172P154-K156 PolarHBondContact O-N 2.82Å; P154-L160 HydrophobicContact CB-CB 4.14Å; P154-L160 HydrophobicContact CB-CD1 3.92Å; P154-L160 HydrophobicContact CG-CB 4.34Å; P154-L160 HydrophobicContact CG-CD1 4.26Å; P154-L172 HydrophobicContact CG-CB 3.93Å; P154-L172 HydrophobicContact CG-CD1 4.14Å; P154-L172 HydrophobicContact CG-CD2 4.22Å; P154-L172 HydrophobicContact CG-CG 4.32Å
155D69.9Low83.6Confident103 Ų10372.2 Ų72.255%0.55136%0.358SS*.  trans-44.3131-171.9-1684.3000113.5F157 G159D155-F157 VanDerWaalsContact C-N 3.29Å; D155-F157 PolarHBondContact O-N 3.36Å; D155-G159 PolarHBondContact O-N 3Å
156K54.8Low83.3Confident156 Ų15673.4 Ų73.468%0.67836%0.361SS*.THydrogen-bonded Turntrans-67.8-25.4-161.2-66.3178.5-170.41750113.7L118 P154L118-K156 HydrophobicContact CD1-CD 4.08Å; P154-K156 PolarHBondContact O-N 2.82Å
157F53.3Low83.1Confident174 Ų17473 Ų7376%0.76336%0.358SS*.THydrogen-bonded Turntrans-101.1-31.4-168.5-66.8-77.2000113.6D155D155-F157 VanDerWaalsContact C-N 3.29Å; D155-F157 PolarHBondContact O-N 3.36Å
158H56.7Low82.9Confident126 Ų12673.3 Ų73.358%0.58335%0.353SS*.THydrogen-bonded Turntrans-110.8-6.4-170.6-63-52.7000113.8Q161H158-Q161 HydrophobicContact CB-CG 4.29Å; H158-Q161 WeakPolarHBondContact O-CG 3.47Å; H158-Q161 PolarHBondContact O-NE2 2.86Å; H158-Q161 VanDerWaalsContact O-NE2 3.12Å
159G64.9Low82.7Confident26 Ų2676.4 Ų76.427%0.26837%0.367SS..  trans67.4-175.7-169.900000111.4D155 Q161D155-G159 PolarHBondContact O-N 3Å; G159-Q161 PolarHBondContact O-N 3.24Å
160L77Confident82.6Confident21 Ų2175.7 Ų75.711%0.1136%0.361CS..SBendtrans-82.494.2173.9-169.972.5000108.7P154 V165 R166 L172 D173 A176 N177P154-L160 HydrophobicContact CB-CB 4.14Å; P154-L160 HydrophobicContact CB-CD1 3.92Å; P154-L160 HydrophobicContact CG-CB 4.34Å; P154-L160 HydrophobicContact CG-CD1 4.26Å; L160-V165 HydrophobicContact CD1-CB 4.21Å; L160-V165 HydrophobicContact CD1-CG1 3.74Å; L160-V165 HydrophobicContact CD2-CB 4.48Å; L160-V165 HydrophobicContact CD2-CG1 4.05Å; L160-V165 HydrophobicContact CG-CG1 4.33Å; L160-R166 HydrophobicContact CB-CG 4.31Å; L160-R166 HydrophobicContact CD2-CB 4.31Å; L160-R166 HydrophobicContact CD2-CG 3.71Å; L160-R166 HydrophobicContact CG-CG 3.89Å; L160-R166 VanDerWaalsContact O-CD 3.24Å; L160-R166 WeakPolarHBondContact O-CD 3.45Å; L160-R166 WeakPolarHBondContact O-CG 3.21Å; L160-L172 HydrophobicContact CD2-CB 3.94Å; L160-D173 HydrophobicContact CD2-CB 4.39Å; L160-A176 HydrophobicContact CB-CB 4.27Å; L160-N177 PolarHBondContact O-ND2 3.09Å
161Q77.5Confident82.6Confident140 Ų14079.2 Ų79.265%0.65437%0.371SS*.  trans-84.3-33-176.2-61.7-155.2-15.900113.8H158 G159 Q163H158-Q161 HydrophobicContact CB-CG 4.29Å; H158-Q161 WeakPolarHBondContact O-CG 3.47Å; H158-Q161 PolarHBondContact O-NE2 2.86Å; H158-Q161 VanDerWaalsContact O-NE2 3.12Å; G159-Q161 PolarHBondContact O-N 3.24Å; Q161-Q163 PolarHBondContact O-N 3.14Å; Q161-Q163 VanDerWaalsContact O-N 3.08Å
162D87.4Confident82.6Confident89 Ų8973.4 Ų73.448%0.47635%0.351SS..  trans-62113.2-179.8-173.7-58.5000110.3E164 V165 R166D162-E164 VanDerWaalsContact C-N 3.3Å; D162-E164 PolarHBondContact O-N 3.47Å; D162-E164 WeakPolarHBondContact OD1-CA 3.48Å; D162-E164 WeakPolarHBondContact OD1-CB 3.18Å; D162-E164 PolarHBondContact OD1-N 2.95Å; D162-V165 HydrophobicContact CB-CB 4.09Å; D162-V165 HydrophobicContact CB-CG2 3.88Å; D162-V165 PolarHBondContact O-N 2.82Å; D162-V165 PolarHBondContact OD1-N 3.23Å; D162-R166 VanDerWaalsContact O-CG 3.31Å; D162-R166 WeakPolarHBondContact O-CG 3.36Å; D162-R166 PolarHBondContact O-N 3.33Å
163Q86.1Confident82.7Confident114 Ų11472.2 Ų72.253%0.53334%0.343SS..Hα-helixtrans-62.4-37.2-177.6-73.3-172.2-7.500112.4Q161 R166 Y167Q161-Q163 PolarHBondContact O-N 3.14Å; Q161-Q163 VanDerWaalsContact O-N 3.08Å; Q163-R166 WeakPolarHBondContact O-CB 3.25Å; Q163-R166 PolarHBondContact O-N 2.98Å; Q163-Y167 HydrophobicContact CB-CE2 4.14Å; Q163-Y167 WeakPolarHBondContact O-CD2 3.21Å; Q163-Y167 VanDerWaalsContact O-CG 3.28Å; Q163-Y167 PolarHBondContact O-N 2.97Å; Q163-Y167 VanDerWaalsContact O-N 3.11Å
164E88.6Confident82.9Confident91 Ų9172.7 Ų72.743%0.42535%0.346SS..Hα-helixtrans-67-43.1179.6-171.5175160.500110.7D162 R166 Y167 R168 M501D162-E164 VanDerWaalsContact C-N 3.3Å; D162-E164 PolarHBondContact O-N 3.47Å; D162-E164 WeakPolarHBondContact OD1-CA 3.48Å; D162-E164 WeakPolarHBondContact OD1-CB 3.18Å; D162-E164 PolarHBondContact OD1-N 2.95Å; E164-R166 VanDerWaalsContact C-N 3.33Å; E164-R166 PolarHBondContact O-N 3.38Å; E164-Y167 PolarHBondContact O-N 3.15Å; E164-R168 HydrophobicContact CG-CG 4.48Å; E164-R168 WeakPolarHBondContact O-CG 3.26Å; E164-R168 PolarHBondContact O-N 2.91Å; E164-R168 IonicContact OE1-CZ 2.76Å; E164-R168 IonicContact OE1-NE 2.91Å; E164-R168 PolarHBondContact OE1-NE 3.08Å; E164-R168 IonicContact OE1-NH2 3.65Å; E164-R168 PolarHBondContact OE1-NH2 3.33Å; E164-M501 HydrophobicContact CG-CE 3.66Å
165V90.1Very high83.4Confident47 Ų4772.5 Ų72.529%0.28534%0.343SS..Hα-helixtrans-64.8-39175.5-174.50000110.8L160 D162 Y167 R168 Q169L160-V165 HydrophobicContact CD1-CB 4.21Å; L160-V165 HydrophobicContact CD1-CG1 3.74Å; L160-V165 HydrophobicContact CD2-CB 4.48Å; L160-V165 HydrophobicContact CD2-CG1 4.05Å; L160-V165 HydrophobicContact CG-CG1 4.33Å; D162-V165 HydrophobicContact CB-CB 4.09Å; D162-V165 HydrophobicContact CB-CG2 3.88Å; D162-V165 PolarHBondContact O-N 2.82Å; D162-V165 PolarHBondContact OD1-N 3.23Å; V165-Y167 VanDerWaalsContact C-N 3.29Å; V165-Y167 PolarHBondContact O-N 2.86Å; V165-R168 PolarHBondContact O-N 2.82Å; V165-Q169 HydrophobicContact CG1-CB 4.49Å; V165-Q169 WeakPolarHBondContact O-CA 3.45Å; V165-Q169 WeakPolarHBondContact O-CB 3.47Å; V165-Q169 PolarHBondContact O-N 3.16Å
166R93Very high84.4Confident44 Ų4468.8 Ų68.817%0.16633%0.327CS..Hα-helixtrans-56.9-42.7174.8-72.217170.2-157.7-6.7112L160 D162 Q163 E164 Q169 R170 D173 S180L160-R166 HydrophobicContact CB-CG 4.31Å; L160-R166 HydrophobicContact CD2-CB 4.31Å; L160-R166 HydrophobicContact CD2-CG 3.71Å; L160-R166 HydrophobicContact CG-CG 3.89Å; L160-R166 VanDerWaalsContact O-CD 3.24Å; L160-R166 WeakPolarHBondContact O-CD 3.45Å; L160-R166 WeakPolarHBondContact O-CG 3.21Å; D162-R166 VanDerWaalsContact O-CG 3.31Å; D162-R166 WeakPolarHBondContact O-CG 3.36Å; D162-R166 PolarHBondContact O-N 3.33Å; Q163-R166 WeakPolarHBondContact O-CB 3.25Å; Q163-R166 PolarHBondContact O-N 2.98Å; E164-R166 VanDerWaalsContact C-N 3.33Å; E164-R166 PolarHBondContact O-N 3.38Å; R166-Q169 CarbonylContact O-C 3.59Å; R166-R170 VanDerWaalsContact O-CA 3.26Å; R166-R170 WeakPolarHBondContact O-CA 3.41Å; R166-R170 PolarHBondContact O-N 3.46Å; R166-D173 HydrophobicContact CB-CB 3.9Å; R166-D173 HydrophobicContact CG-CB 4.03Å; R166-D173 IonicContact CZ-OD1 2.93Å; R166-D173 IonicContact NE-OD1 3.6Å; R166-D173 PolarHBondContact NE-OD1 3.18Å; R166-D173 IonicContact NH2-OD1 3.65Å; R166-D173 PolarHBondContact NH2-OD1 2.89Å; R166-S180 PolarHBondContact NH2-OG 2.86Å
167Y93.6Very high86.2Confident9 Ų963.3 Ų63.34%0.03531%0.305CS..Hα-helixtrans-75-40.8179.6-58.3-34.9000113Q163 E164 V165 T491 R493 D494 P499 M501Q163-Y167 HydrophobicContact CB-CE2 4.14Å; Q163-Y167 WeakPolarHBondContact O-CD2 3.21Å; Q163-Y167 VanDerWaalsContact O-CG 3.28Å; Q163-Y167 PolarHBondContact O-N 2.97Å; Q163-Y167 VanDerWaalsContact O-N 3.11Å; E164-Y167 PolarHBondContact O-N 3.15Å; V165-Y167 VanDerWaalsContact C-N 3.29Å; V165-Y167 PolarHBondContact O-N 2.86Å; Y167-T491 VanDerWaalsContact OH-CG2 3.28Å; Y167-T491 WeakPolarHBondContact OH-CG2 3.49Å; Y167-R493 HydrophobicContact CD1-CB 4.07Å; Y167-R493 HydrophobicContact CD2-CB 4.1Å; Y167-R493 HydrophobicContact CE1-CB 3.73Å; Y167-R493 WeakPolarHBondContact CE1-O 3.48Å; Y167-R493 HydrophobicContact CE2-CB 3.76Å; Y167-R493 HydrophobicContact CE2-CG 4.44Å; Y167-R493 HydrophobicContact CG-CB 4.26Å; Y167-D494 WeakPolarHBondContact CE1-OD1 3.3Å; Y167-D494 PolarHBondContact OH-OD1 2.98Å; Y167-P499 HydrophobicContact CD1-CG 4.28Å; Y167-P499 HydrophobicContact CG-CG 4.15Å; Y167-M501 HydrophobicContact CD2-CE 4.43Å; Y167-M501 HydrophobicContact CD2-SD 4.45Å
168R93.9Very high88Confident69 Ų6958.2 Ų58.226%0.2629%0.286SS..Hα-helixtrans-69.7-34.5177.8-70.2-177.6-174.3-73.90.8113E164 V165 M501 R502E164-R168 HydrophobicContact CG-CG 4.48Å; E164-R168 WeakPolarHBondContact O-CG 3.26Å; E164-R168 PolarHBondContact O-N 2.91Å; E164-R168 IonicContact OE1-CZ 2.76Å; E164-R168 IonicContact OE1-NE 2.91Å; E164-R168 PolarHBondContact OE1-NE 3.08Å; E164-R168 IonicContact OE1-NH2 3.65Å; E164-R168 PolarHBondContact OE1-NH2 3.33Å; V165-R168 PolarHBondContact O-N 2.82Å; R168-M501 HydrophobicContact CG-CB 4.46Å; R168-M501 HydrophobicContact CG-CE 4.03Å; R168-M501 HydrophobicContact CG-CG 4.1Å; R168-R502 VanDerWaalsContact CZ-O 3.25Å; R168-R502 PolarHBondContact NH1-O 3.41Å; R168-R502 PolarHBondContact NH2-O 2.77Å
169Q94.7Very high89.7Confident72 Ų7259.1 Ų59.134%0.33629%0.288SS..THydrogen-bonded Turntrans-123.157.9-176.5-59.8-172.3-27.200109.9V165 R166 Y171 L172 D173V165-Q169 HydrophobicContact CG1-CB 4.49Å; V165-Q169 WeakPolarHBondContact O-CA 3.45Å; V165-Q169 WeakPolarHBondContact O-CB 3.47Å; V165-Q169 PolarHBondContact O-N 3.16Å; R166-Q169 CarbonylContact O-C 3.59Å; Q169-Y171 HydrophobicContact CB-CE1 4.23Å; Q169-Y171 HydrophobicContact CB-CE2 4.08Å; Q169-Y171 WeakPolarHBondContact CG-OH 3.48Å; Q169-Y171 PolarHBondContact O-N 2.94Å; Q169-L172 HydrophobicContact CB-CB 4.41Å; Q169-L172 HydrophobicContact CB-CD1 4.09Å; Q169-L172 HydrophobicContact CB-CG 4.21Å; Q169-L172 WeakPolarHBondContact O-CB 3.4Å; Q169-L172 PolarHBondContact O-N 3.43Å; Q169-D173 PolarHBondContact O-N 3.1Å
170R96.4Very high91.1Very high2 Ų258.1 Ų58.11%0.00828%0.277CS..Hα-helixtrans-49.5-34.5-178-178.763.368.8-174.19.8113.4R166 L172 D173 L174 R493 I496 L497 F498R166-R170 VanDerWaalsContact O-CA 3.26Å; R166-R170 WeakPolarHBondContact O-CA 3.41Å; R166-R170 PolarHBondContact O-N 3.46Å; R170-L172 VanDerWaalsContact C-N 3.27Å; R170-L172 PolarHBondContact O-N 3.39Å; R170-D173 IonicContact CZ-OD2 3.42Å; R170-D173 IonicContact NH1-OD2 3.8Å; R170-D173 PolarHBondContact NH1-OD2 3.25Å; R170-D173 WeakPolarHBondContact O-CB 3.22Å; R170-D173 PolarHBondContact O-N 3.32Å; R170-L174 HydrophobicContact CG-CD1 3.88Å; R170-L174 HydrophobicContact CG-CG 4.03Å; R170-L174 WeakPolarHBondContact O-CB 3.17Å; R170-L174 VanDerWaalsContact O-CG 3.3Å; R170-L174 WeakPolarHBondContact O-CG 3.36Å; R170-L174 PolarHBondContact O-N 2.99Å; R170-R493 PolarHBondContact NH2-O 3.18Å; R170-I496 PolarHBondContact NH2-O 3.38Å; R170-L497 WeakPolarHBondContact CB-O 3.07Å; R170-L497 HydrophobicContact CG-CD2 4.2Å; R170-L497 WeakPolarHBondContact CG-O 3.38Å; R170-L497 PolarHBondContact NE-O 3.16Å; R170-F498 HydrophobicContact CB-CD1 4.19Å; R170-F498 HydrophobicContact CB-CE1 3.9Å; R170-F498 HydrophobicContact CG-CE1 4.5Å
171Y96.2Very high91.9Very high135 Ų13558.8 Ų58.853%0.52928%0.278SS..Hα-helixtrans-61.1-32.4176.749.4-94.6000113.4Q169 I175Q169-Y171 HydrophobicContact CB-CE1 4.23Å; Q169-Y171 HydrophobicContact CB-CE2 4.08Å; Q169-Y171 WeakPolarHBondContact CG-OH 3.48Å; Q169-Y171 PolarHBondContact O-N 2.94Å; Y171-I175 VanDerWaalsContact O-CD1 3.25Å; Y171-I175 WeakPolarHBondContact O-CD1 3.43Å; Y171-I175 WeakPolarHBondContact O-CG1 3.31Å; Y171-I175 PolarHBondContact O-N 3.43Å
172L94.6Very high92.7Very high33 Ų3357.1 Ų57.117%0.17327%0.27CS..Hα-helixtrans-76.1-41.1172.8-64-176.6000111.7P154 L160 Q169 R170 L174 I175 A176P154-L172 HydrophobicContact CG-CB 3.93Å; P154-L172 HydrophobicContact CG-CD1 4.14Å; P154-L172 HydrophobicContact CG-CD2 4.22Å; P154-L172 HydrophobicContact CG-CG 4.32Å; L160-L172 HydrophobicContact CD2-CB 3.94Å; Q169-L172 HydrophobicContact CB-CB 4.41Å; Q169-L172 HydrophobicContact CB-CD1 4.09Å; Q169-L172 HydrophobicContact CB-CG 4.21Å; Q169-L172 WeakPolarHBondContact O-CB 3.4Å; Q169-L172 PolarHBondContact O-N 3.43Å; R170-L172 VanDerWaalsContact C-N 3.27Å; R170-L172 PolarHBondContact O-N 3.39Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L174 PolarHBondContact O-N 3.17Å; L172-I175 PolarHBondContact O-N 3.31Å; L172-I175 VanDerWaalsContact O-N 3.14Å; L172-A176 WeakPolarHBondContact O-CB 3.47Å; L172-A176 PolarHBondContact O-N 3.39Å
173D94.4Very high93.2Very high0 Ų053.4 Ų53.40%025%0.251CS..Hα-helixtrans-57.4-46.7174.5174.551.6000111.4L160 R166 Q169 R170 I175 A176 N177 S180L160-D173 HydrophobicContact CD2-CB 4.39Å; R166-D173 HydrophobicContact CB-CB 3.9Å; R166-D173 HydrophobicContact CG-CB 4.03Å; R166-D173 IonicContact CZ-OD1 2.93Å; R166-D173 IonicContact NE-OD1 3.6Å; R166-D173 PolarHBondContact NE-OD1 3.18Å; R166-D173 IonicContact NH2-OD1 3.65Å; R166-D173 PolarHBondContact NH2-OD1 2.89Å; Q169-D173 PolarHBondContact O-N 3.1Å; R170-D173 IonicContact CZ-OD2 3.42Å; R170-D173 IonicContact NH1-OD2 3.8Å; R170-D173 PolarHBondContact NH1-OD2 3.25Å; R170-D173 WeakPolarHBondContact O-CB 3.22Å; R170-D173 PolarHBondContact O-N 3.32Å; D173-I175 VanDerWaalsContact C-N 3.26Å; D173-I175 PolarHBondContact O-N 3.2Å; D173-A176 PolarHBondContact O-N 3.5Å; D173-N177 WeakPolarHBondContact O-CB 3.44Å; D173-N177 PolarHBondContact O-N 3.29Å; D173-N177 PolarHBondContact OD1-ND2 3.3Å; D173-S180 VanDerWaalsContact CG-OG 3.26Å; D173-S180 PolarHBondContact OD1-OG 2.92Å; D173-S180 VanDerWaalsContact OD2-CB 3.26Å; D173-S180 WeakPolarHBondContact OD2-CB 3.39Å; D173-S180 PolarHBondContact OD2-OG 3.01Å
174L95.1Very high93.8Very high48 Ų4849.1 Ų49.125%0.25123%0.23SC..Hα-helixtrans-65-28177.4-68.4172.9000113.1R170 L172 R181 F184 L497R170-L174 HydrophobicContact CG-CD1 3.88Å; R170-L174 HydrophobicContact CG-CG 4.03Å; R170-L174 WeakPolarHBondContact O-CB 3.17Å; R170-L174 VanDerWaalsContact O-CG 3.3Å; R170-L174 WeakPolarHBondContact O-CG 3.36Å; R170-L174 PolarHBondContact O-N 2.99Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L174 PolarHBondContact O-N 3.17Å; L174-R181 HydrophobicContact CB-CG 4.39Å; L174-R181 HydrophobicContact CD2-CG 4.08Å; L174-R181 WeakPolarHBondContact O-CD 3.42Å; L174-R181 WeakPolarHBondContact O-CG 3.47Å; L174-F184 HydrophobicContact CD2-CD2 3.75Å; L174-F184 HydrophobicContact CD2-CE2 4.11Å; L174-L497 HydrophobicContact CD1-CD2 4.21Å
175I93.8Very high94.1Very high23 Ų2347.9 Ų47.912%0.11823%0.229CC..Hα-helixtrans-74.5-43.2174-70162.2000110.6M75 Q89 L153 Y171 L172 D173M75-I175 HydrophobicContact CE-CG2 3.85Å; M75-I175 HydrophobicContact SD-CG2 4.03Å; Q89-I175 PolarHBondContact NE2-O 3Å; L153-I175 HydrophobicContact CD2-CG2 3.98Å; Y171-I175 VanDerWaalsContact O-CD1 3.25Å; Y171-I175 WeakPolarHBondContact O-CD1 3.43Å; Y171-I175 WeakPolarHBondContact O-CG1 3.31Å; Y171-I175 PolarHBondContact O-N 3.43Å; L172-I175 PolarHBondContact O-N 3.31Å; L172-I175 VanDerWaalsContact O-N 3.14Å; D173-I175 VanDerWaalsContact C-N 3.26Å; D173-I175 PolarHBondContact O-N 3.2Å
176A91.2Very high94.5Very high26 Ų2646.9 Ų46.922%0.21522%0.223CC..Hα-helixtrans-86.4-31.5-170.700000114.1L160 L172 D173L160-A176 HydrophobicContact CB-CB 4.27Å; L172-A176 WeakPolarHBondContact O-CB 3.47Å; L172-A176 PolarHBondContact O-N 3.39Å; D173-A176 PolarHBondContact O-N 3.5Å
177N91.8Very high94.7Very high41 Ų4146.6 Ų46.622%0.21922%0.222CC..  trans-118.6103-167.8-63.1-59.3000112.1L160 D173 K179 S180 R181L160-N177 PolarHBondContact O-ND2 3.09Å; D173-N177 WeakPolarHBondContact O-CB 3.44Å; D173-N177 PolarHBondContact O-N 3.29Å; D173-N177 PolarHBondContact OD1-ND2 3.3Å; N177-K179 VanDerWaalsContact C-N 3.27Å; N177-K179 PolarHBondContact O-N 3.1Å; N177-S180 WeakPolarHBondContact O-CB 3.33Å; N177-S180 PolarHBondContact O-N 3.38Å; N177-S180 VanDerWaalsContact O-N 3.1Å; N177-R181 PolarHBondContact O-N 3.12Å
178D90.5Very high94.9Very high66 Ų6649.9 Ų49.935%0.35325%0.246SC..Hα-helixtrans-62.3-34.5179.3-64.5-14.5000112.5S180 R181 Q182D178-S180 VanDerWaalsContact C-N 3.3Å; D178-S180 PolarHBondContact O-N 3.43Å; D178-R181 VanDerWaalsContact CG-NH2 3.27Å; D178-R181 WeakPolarHBondContact O-CB 3.47Å; D178-R181 PolarHBondContact O-N 2.86Å; D178-R181 IonicContact OD1-CZ 2.7Å; D178-R181 IonicContact OD1-NE 3.04Å; D178-R181 PolarHBondContact OD1-NE 3Å; D178-R181 IonicContact OD1-NH2 3.22Å; D178-R181 PolarHBondContact OD1-NH2 3.12Å; D178-R181 IonicContact OD2-NH2 2.7Å; D178-Q182 WeakPolarHBondContact O-CG 3.41Å; D178-Q182 PolarHBondContact O-N 2.97Å
179K92.6Very high95.1Very high145 Ų14552.4 Ų52.463%0.6326%0.259SS*.Hα-helixtrans-60-40175-172.8177.1179.7-176.50111.7N177 Q182 T183N177-K179 VanDerWaalsContact C-N 3.27Å; N177-K179 PolarHBondContact O-N 3.1Å; K179-Q182 PolarHBondContact O-N 3.37Å; K179-T183 PolarHBondContact O-N 2.92Å; K179-T183 PolarHBondContact O-OG1 3.31Å
180S94.3Very high95.3Very high5 Ų549 Ų494%0.03524%0.243CC..Hα-helixtrans-62.8-46.6175.8-63.20000110.4R166 D173 N177 D178 Q182 T183 F184R166-S180 PolarHBondContact NH2-OG 2.86Å; D173-S180 VanDerWaalsContact CG-OG 3.26Å; D173-S180 PolarHBondContact OD1-OG 2.92Å; D173-S180 VanDerWaalsContact OD2-CB 3.26Å; D173-S180 WeakPolarHBondContact OD2-CB 3.39Å; D173-S180 PolarHBondContact OD2-OG 3.01Å; N177-S180 WeakPolarHBondContact O-CB 3.33Å; N177-S180 PolarHBondContact O-N 3.38Å; N177-S180 VanDerWaalsContact O-N 3.1Å; D178-S180 VanDerWaalsContact C-N 3.3Å; D178-S180 PolarHBondContact O-N 3.43Å; S180-Q182 PolarHBondContact O-N 2.94Å; S180-T183 WeakPolarHBondContact O-CB 3.29Å; S180-T183 PolarHBondContact O-N 3.45Å; S180-F184 WeakPolarHBondContact O-CD2 3.48Å; S180-F184 PolarHBondContact O-N 3.49Å
181R94.8Very high95.4Very high35 Ų3550.2 Ų50.213%0.13225%0.25CC..Hα-helixtrans-56.5-49.5176.3-66.3-167.6-72.7141.8-6.2111.7V91 L174 N177 D178 T183 F184 V185V91-R181 PolarHBondContact O-NH1 3.38Å; L174-R181 HydrophobicContact CB-CG 4.39Å; L174-R181 HydrophobicContact CD2-CG 4.08Å; L174-R181 WeakPolarHBondContact O-CD 3.42Å; L174-R181 WeakPolarHBondContact O-CG 3.47Å; N177-R181 PolarHBondContact O-N 3.12Å; D178-R181 VanDerWaalsContact CG-NH2 3.27Å; D178-R181 WeakPolarHBondContact O-CB 3.47Å; D178-R181 PolarHBondContact O-N 2.86Å; D178-R181 IonicContact OD1-CZ 2.7Å; D178-R181 IonicContact OD1-NE 3.04Å; D178-R181 PolarHBondContact OD1-NE 3Å; D178-R181 IonicContact OD1-NH2 3.22Å; D178-R181 PolarHBondContact OD1-NH2 3.12Å; D178-R181 IonicContact OD2-NH2 2.7Å; R181-T183 VanDerWaalsContact C-N 3.3Å; R181-T183 PolarHBondContact O-N 3.47Å; R181-F184 PolarHBondContact O-N 3.18Å; R181-V185 WeakPolarHBondContact O-CG2 3.46Å; R181-V185 PolarHBondContact O-N 3.32Å
182Q94.5Very high95.6Very high105 Ų10546.6 Ų46.649%0.49125%0.247SC..Hα-helixtrans-62.2-38-179.2-67.7-59.1-16.600112.4D178 K179 S180 F184 V185 V186D178-Q182 WeakPolarHBondContact O-CG 3.41Å; D178-Q182 PolarHBondContact O-N 2.97Å; K179-Q182 PolarHBondContact O-N 3.37Å; S180-Q182 PolarHBondContact O-N 2.94Å; Q182-F184 VanDerWaalsContact C-N 3.32Å; Q182-F184 PolarHBondContact O-N 3.12Å; Q182-V185 PolarHBondContact O-N 3.39Å; Q182-V186 WeakPolarHBondContact O-CB 3.2Å; Q182-V186 WeakPolarHBondContact O-CG2 3.42Å; Q182-V186 PolarHBondContact O-N 3.42Å
183T97.5Very high95.7Very high11 Ų1145.2 Ų45.27%0.06724%0.241CC..Hα-helixtrans-55.6-46.5174.7-59.90000111.4K179 S180 R181 V186 R187 T487 V495K179-T183 PolarHBondContact O-N 2.92Å; K179-T183 PolarHBondContact O-OG1 3.31Å; S180-T183 WeakPolarHBondContact O-CB 3.29Å; S180-T183 PolarHBondContact O-N 3.45Å; R181-T183 VanDerWaalsContact C-N 3.3Å; R181-T183 PolarHBondContact O-N 3.47Å; T183-V186 PolarHBondContact O-N 3.35Å; T183-R187 PolarHBondContact O-N 2.95Å; T183-T487 HydrophobicContact CG2-CG2 4.03Å; T183-V495 HydrophobicContact CG2-CG1 4.1Å
184F97.8Very high96Very high24 Ų2445.2 Ų45.211%0.10524%0.241CC..Hα-helixtrans-75.7-29.9179.8-65.4-65.9000113.8L174 S180 R181 Q182 R187 S188 D494 L497L174-F184 HydrophobicContact CD2-CD2 3.75Å; L174-F184 HydrophobicContact CD2-CE2 4.11Å; S180-F184 WeakPolarHBondContact O-CD2 3.48Å; S180-F184 PolarHBondContact O-N 3.49Å; R181-F184 PolarHBondContact O-N 3.18Å; Q182-F184 VanDerWaalsContact C-N 3.32Å; Q182-F184 PolarHBondContact O-N 3.12Å; F184-R187 WeakPolarHBondContact O-CB 3.45Å; F184-R187 PolarHBondContact O-N 2.86Å; F184-S188 PolarHBondContact O-N 2.76Å; F184-S188 VanDerWaalsContact O-N 3.08Å; F184-D494 WeakPolarHBondContact CZ-O 3.34Å; F184-L497 HydrophobicContact CB-CD2 4.42Å; F184-L497 HydrophobicContact CD1-CD2 3.66Å; F184-L497 HydrophobicContact CD1-CG 3.7Å; F184-L497 HydrophobicContact CD2-CD2 3.66Å; F184-L497 HydrophobicContact CE1-CB 4.32Å; F184-L497 HydrophobicContact CE1-CD2 3.74Å; F184-L497 HydrophobicContact CE1-CG 3.67Å; F184-L497 HydrophobicContact CE2-CD2 3.75Å; F184-L497 HydrophobicContact CG-CD2 3.63Å; F184-L497 HydrophobicContact CG-CG 4.19Å; F184-L497 HydrophobicContact CZ-CD2 3.8Å; F184-L497 HydrophobicContact CZ-CG 4.14Å
185V96.1Very high96.1Very high65 Ų6547 Ų4739%0.39424%0.244SC..Hα-helixtrans-63.5-47.3170171.40000110.3R181 Q182 R187 S188 K189R181-V185 WeakPolarHBondContact O-CG2 3.46Å; R181-V185 PolarHBondContact O-N 3.32Å; Q182-V185 PolarHBondContact O-N 3.39Å; V185-R187 VanDerWaalsContact C-N 3.34Å; V185-R187 PolarHBondContact O-N 3.43Å; V185-S188 WeakPolarHBondContact O-CB 3.3Å; V185-S188 PolarHBondContact O-N 2.88Å; V185-S188 VanDerWaalsContact O-N 3.16Å; V185-K189 HydrophobicContact CG1-CD 4.48Å; V185-K189 PolarHBondContact O-N 3.16Å
186V97Very high96.4Very high27 Ų2752 Ų5216%0.16427%0.267CS..Hα-helixtrans-61.4-42.5176.2171.20000110.8Q182 T183 S188 K189 I190 V305 L306 T487Q182-V186 WeakPolarHBondContact O-CB 3.2Å; Q182-V186 WeakPolarHBondContact O-CG2 3.42Å; Q182-V186 PolarHBondContact O-N 3.42Å; T183-V186 PolarHBondContact O-N 3.35Å; V186-S188 VanDerWaalsContact C-N 3.3Å; V186-S188 PolarHBondContact O-N 2.81Å; V186-K189 PolarHBondContact O-N 3.22Å; V186-K189 VanDerWaalsContact O-N 3.12Å; V186-I190 HydrophobicContact CG1-CD1 3.68Å; V186-I190 HydrophobicContact CG1-CG1 4.2Å; V186-I190 WeakPolarHBondContact O-CG1 3.43Å; V186-I190 PolarHBondContact O-N 2.81Å; V186-V305 HydrophobicContact CG1-CG1 4.09Å; V186-L306 HydrophobicContact CG1-CD2 4.33Å; V186-T487 HydrophobicContact CB-CG2 3.94Å; V186-T487 HydrophobicContact CG1-CG2 3.63Å
187R98.6Very high96.7Very high37 Ų3751.2 Ų51.214%0.1426%0.259CS..Hα-helixtrans-51.9-48.6172.2174.5175.9-173.598.47.6112.2T183 F184 V185 K189 I190 L191 T276 D480 I483 V495T183-R187 PolarHBondContact O-N 2.95Å; F184-R187 WeakPolarHBondContact O-CB 3.45Å; F184-R187 PolarHBondContact O-N 2.86Å; V185-R187 VanDerWaalsContact C-N 3.34Å; V185-R187 PolarHBondContact O-N 3.43Å; R187-K189 VanDerWaalsContact C-N 3.35Å; R187-I190 PolarHBondContact O-N 3.1Å; R187-L191 HydrophobicContact CG-CD1 4.38Å; R187-L191 PolarHBondContact O-N 2.83Å; R187-L191 VanDerWaalsContact O-N 3.09Å; R187-T276 PolarHBondContact NH2-OG1 3.49Å; R187-D480 IonicContact CZ-OD1 3.39Å; R187-D480 IonicContact NH1-OD1 3.42Å; R187-D480 PolarHBondContact NH1-OD1 3.24Å; R187-D480 IonicContact NH2-OD1 3.43Å; R187-D480 PolarHBondContact NH2-OD1 3.47Å; R187-I483 HydrophobicContact CB-CD1 4.37Å; R187-I483 HydrophobicContact CB-CG1 4.33Å; R187-I483 HydrophobicContact CB-CG2 3.96Å; R187-I483 HydrophobicContact CG-CD1 4.25Å; R187-I483 HydrophobicContact CG-CG1 4.01Å; R187-I483 HydrophobicContact CG-CG2 4.39Å; R187-V495 WeakPolarHBondContact CD-O 3.42Å; R187-V495 PolarHBondContact NH1-O 2.85Å
188S98.2Very high97.1Very high79 Ų7949.2 Ų49.255%0.55225%0.248SC*.Hα-helixtrans-63.7-40.4179.1-168.80000112.1F184 V185 V186 A192F184-S188 PolarHBondContact O-N 2.76Å; F184-S188 VanDerWaalsContact O-N 3.08Å; V185-S188 WeakPolarHBondContact O-CB 3.3Å; V185-S188 PolarHBondContact O-N 2.88Å; V185-S188 VanDerWaalsContact O-N 3.16Å; V186-S188 VanDerWaalsContact C-N 3.3Å; V186-S188 PolarHBondContact O-N 2.81Å; S188-A192 PolarHBondContact O-N 2.89Å; S188-A192 VanDerWaalsContact O-N 3.1Å
189K98.2Very high97.5Very high121 Ų12150.2 Ų50.253%0.52626%0.256SS..Hα-helixtrans-64.4-43.9177-71.9-178.4175.6-175.20111.9V185 V186 R187 A192 A193 V305V185-K189 HydrophobicContact CG1-CD 4.48Å; V185-K189 PolarHBondContact O-N 3.16Å; V186-K189 PolarHBondContact O-N 3.22Å; V186-K189 VanDerWaalsContact O-N 3.12Å; R187-K189 VanDerWaalsContact C-N 3.35Å; K189-A192 PolarHBondContact O-N 3.33Å; K189-A193 WeakPolarHBondContact O-CB 3.44Å; K189-A193 PolarHBondContact O-N 3.4Å; K189-V305 HydrophobicContact CB-CG1 3.9Å; K189-V305 HydrophobicContact CB-CG2 4.45Å; K189-V305 HydrophobicContact CD-CG1 4.48Å
190I98.5Very high97.8Very high0 Ų047 Ų470%026%0.257CS..Hα-helixtrans-60.6-47.5177.2-69.8170.7000110.6V186 R187 A192 A193 I194 L301 V305 M482 I483 F486V186-I190 HydrophobicContact CG1-CD1 3.68Å; V186-I190 HydrophobicContact CG1-CG1 4.2Å; V186-I190 WeakPolarHBondContact O-CG1 3.43Å; V186-I190 PolarHBondContact O-N 2.81Å; R187-I190 PolarHBondContact O-N 3.1Å; I190-A192 VanDerWaalsContact C-N 3.32Å; I190-A192 PolarHBondContact O-N 2.82Å; I190-A193 PolarHBondContact O-N 3.5Å; I190-I194 HydrophobicContact CG2-CD1 3.78Å; I190-I194 HydrophobicContact CG2-CG1 4.29Å; I190-I194 VanDerWaalsContact O-CG1 3.28Å; I190-I194 WeakPolarHBondContact O-CG1 3.49Å; I190-I194 PolarHBondContact O-N 3.02Å; I190-L301 HydrophobicContact CG2-CD1 4.45Å; I190-V305 HydrophobicContact CG1-CB 4.33Å; I190-V305 HydrophobicContact CG1-CG1 3.99Å; I190-V305 HydrophobicContact CG1-CG2 4.14Å; I190-M482 HydrophobicContact CG2-SD 3.92Å; I190-I483 HydrophobicContact CB-CD1 3.71Å; I190-I483 HydrophobicContact CD1-CD1 3.63Å; I190-I483 HydrophobicContact CG1-CD1 4.24Å; I190-I483 HydrophobicContact CG2-CD1 3.59Å; I190-F486 HydrophobicContact CD1-CB 3.5Å; I190-F486 HydrophobicContact CD1-CD1 3.52Å; I190-F486 HydrophobicContact CD1-CE1 4.44Å; I190-F486 HydrophobicContact CD1-CG 3.72Å; I190-F486 HydrophobicContact CG1-CD1 4.17Å
191L98.7Very high98Very high29 Ų2951.1 Ų51.115%0.15227%0.272CS..Hα-helixtrans-59.8-41177.3-76.8174.2000112.9R187 R195 I258 I479R187-L191 HydrophobicContact CG-CD1 4.38Å; R187-L191 PolarHBondContact O-N 2.83Å; R187-L191 VanDerWaalsContact O-N 3.09Å; L191-R195 PolarHBondContact O-N 3.36Å; L191-I258 HydrophobicContact CD2-CG2 3.85Å; L191-I479 HydrophobicContact CD2-CG2 3.83Å
192A98.7Very high98.1Very high58 Ų5852 Ų5248%0.47929%0.292SS..Hα-helixtrans-64.8-45.1176.100000111.6S188 K189 I190 I194 R195 Q196S188-A192 PolarHBondContact O-N 2.89Å; S188-A192 VanDerWaalsContact O-N 3.1Å; K189-A192 PolarHBondContact O-N 3.33Å; I190-A192 VanDerWaalsContact C-N 3.32Å; I190-A192 PolarHBondContact O-N 2.82Å; A192-I194 PolarHBondContact O-N 3.38Å; A192-R195 PolarHBondContact O-N 2.91Å; A192-Q196 PolarHBondContact O-N 2.93Å
193A98.6Very high98.3Very high4 Ų447.3 Ų47.33%0.03327%0.27CS..Hα-helixtrans-65.9-37.2179.200000112.3K189 I190 Q196 F197 L301 V305K189-A193 WeakPolarHBondContact O-CB 3.44Å; K189-A193 PolarHBondContact O-N 3.4Å; I190-A193 PolarHBondContact O-N 3.5Å; A193-Q196 PolarHBondContact O-N 3.48Å; A193-F197 VanDerWaalsContact O-CB 3.29Å; A193-F197 WeakPolarHBondContact O-CB 3.41Å; A193-F197 PolarHBondContact O-N 2.72Å; A193-L301 HydrophobicContact CB-CD2 3.45Å; A193-L301 VanDerWaalsContact CB-CD2 3.45Å; A193-V305 HydrophobicContact CB-CG2 4.1Å
194I98.8Very high98.4Very high0 Ų050.5 Ų50.50%029%0.285CS..Hα-helixtrans-58.5-53.3172.3-69.2164.9000109.8I190 A192 Q196 F197 M198 I258 M278 L297 L301 I479 M482I190-I194 HydrophobicContact CG2-CD1 3.78Å; I190-I194 HydrophobicContact CG2-CG1 4.29Å; I190-I194 VanDerWaalsContact O-CG1 3.28Å; I190-I194 WeakPolarHBondContact O-CG1 3.49Å; I190-I194 PolarHBondContact O-N 3.02Å; A192-I194 PolarHBondContact O-N 3.38Å; I194-Q196 VanDerWaalsContact C-N 3.29Å; I194-Q196 PolarHBondContact O-N 3.1Å; I194-F197 WeakPolarHBondContact O-CB 3.38Å; I194-F197 PolarHBondContact O-N 2.85Å; I194-F197 VanDerWaalsContact O-N 3.12Å; I194-M198 HydrophobicContact CG2-CG 4.23Å; I194-M198 VanDerWaalsContact O-CG 3.3Å; I194-M198 WeakPolarHBondContact O-CG 3.47Å; I194-M198 PolarHBondContact O-N 3.35Å; I194-I258 HydrophobicContact CB-CD1 4.33Å; I194-I258 HydrophobicContact CG2-CD1 3.62Å; I194-M278 HydrophobicContact CG2-SD 3.54Å; I194-M278 VanDerWaalsContact CG2-SD 3.54Å; I194-L297 HydrophobicContact CG1-CD1 4.39Å; I194-L301 HydrophobicContact CD1-CD1 4.24Å; I194-L301 HydrophobicContact CG1-CD1 3.58Å; I194-L301 HydrophobicContact CG1-CD2 3.9Å; I194-L301 HydrophobicContact CG1-CG 4.37Å; I194-I479 HydrophobicContact CD1-CD1 3.68Å; I194-M482 HydrophobicContact CD1-SD 3.9Å
195R98.8Very high98.5Very high86 Ų8653.2 Ų53.233%0.32530%0.298SS..Hα-helixtrans-56.3-45.4179.7-74.2-176.8169.6100.74.5111.8L191 A192 F197 M198 V199 E205 F256 I258L191-R195 PolarHBondContact O-N 3.36Å; A192-R195 PolarHBondContact O-N 2.91Å; R195-F197 PolarHBondContact O-N 2.81Å; R195-M198 PolarHBondContact O-N 3.43Å; R195-V199 WeakPolarHBondContact O-CB 3.44Å; R195-V199 VanDerWaalsContact O-CG2 3.29Å; R195-V199 WeakPolarHBondContact O-CG2 3.48Å; R195-V199 PolarHBondContact O-N 2.81Å; R195-E205 WeakPolarHBondContact CD-OE2 3.4Å; R195-E205 IonicContact CZ-OE1 2.83Å; R195-E205 VanDerWaalsContact NE-CD 3.34Å; R195-E205 IonicContact NE-OE1 2.68Å; R195-E205 PolarHBondContact NE-OE1 3.07Å; R195-E205 IonicContact NE-OE2 3.97Å; R195-E205 PolarHBondContact NE-OE2 2.97Å; R195-E205 IonicContact NH2-OE1 3.92Å; R195-E205 PolarHBondContact NH2-OE1 3.22Å; R195-F256 HydrophobicContact CG-CE2 4.27Å; R195-F256 HydrophobicContact CG-CZ 4.42Å; R195-I258 HydrophobicContact CG-CD1 4.06Å
196Q98.7Very high98.6Very high127 Ų12751.1 Ų51.159%0.59329%0.285SS*.Hα-helixtrans-61.8-43.9177.5-176.6174.1-5.900112A192 A193 I194 M198 A200A192-Q196 PolarHBondContact O-N 2.93Å; A193-Q196 PolarHBondContact O-N 3.48Å; I194-Q196 VanDerWaalsContact C-N 3.29Å; I194-Q196 PolarHBondContact O-N 3.1Å; Q196-M198 VanDerWaalsContact C-N 3.33Å; Q196-M198 PolarHBondContact O-N 3.43Å; Q196-A200 WeakPolarHBondContact O-CB 3.33Å; Q196-A200 PolarHBondContact O-N 3.34Å
197F98.8Very high98.7Very high10 Ų1058.2 Ų58.24%0.04432%0.317CS..Hα-helixtrans-59.5-43.7177.5178.9-82.5000112.2A193 I194 R195 R201 L293 L297 T300A193-F197 VanDerWaalsContact O-CB 3.29Å; A193-F197 WeakPolarHBondContact O-CB 3.41Å; A193-F197 PolarHBondContact O-N 2.72Å; I194-F197 WeakPolarHBondContact O-CB 3.38Å; I194-F197 PolarHBondContact O-N 2.85Å; I194-F197 VanDerWaalsContact O-N 3.12Å; R195-F197 PolarHBondContact O-N 2.81Å; F197-R201 VanDerWaalsContact CD2-NH1 3.31Å; F197-R201 VanDerWaalsContact CE2-NH1 3.27Å; F197-R201 PolarHBondContact O-NH1 3.15Å; F197-L293 HydrophobicContact CE1-CD1 3.78Å; F197-L293 HydrophobicContact CZ-CD1 4.25Å; F197-L297 HydrophobicContact CB-CD1 4.14Å; F197-L297 HydrophobicContact CD1-CB 4.43Å; F197-L297 HydrophobicContact CD1-CD1 3.51Å; F197-L297 HydrophobicContact CD2-CD1 4.23Å; F197-L297 HydrophobicContact CE1-CB 3.89Å; F197-L297 HydrophobicContact CE1-CD1 3.86Å; F197-L297 HydrophobicContact CE1-CG 4.46Å; F197-L297 HydrophobicContact CE2-CB 4.45Å; F197-L297 HydrophobicContact CG-CD1 3.71Å; F197-L297 HydrophobicContact CZ-CB 3.9Å; F197-L297 HydrophobicContact CZ-CD1 4.36Å; F197-T300 HydrophobicContact CD2-CG2 4Å; F197-T300 HydrophobicContact CE2-CG2 4.41Å
198M98.8Very high98.7Very high0 Ų057.2 Ų57.20%032%0.315CS..Hα-helixtrans-68.9-50.1179.9-66.4-48.4-65.800111.6I194 R195 Q196 A200 R201 G202 F203 F256 M278 L280I194-M198 HydrophobicContact CG2-CG 4.23Å; I194-M198 VanDerWaalsContact O-CG 3.3Å; I194-M198 WeakPolarHBondContact O-CG 3.47Å; I194-M198 PolarHBondContact O-N 3.35Å; R195-M198 PolarHBondContact O-N 3.43Å; Q196-M198 VanDerWaalsContact C-N 3.33Å; Q196-M198 PolarHBondContact O-N 3.43Å; M198-A200 VanDerWaalsContact C-N 3.3Å; M198-A200 PolarHBondContact O-N 2.8Å; M198-R201 CarbonylContact O-C 3.5Å; M198-R201 WeakPolarHBondContact O-CA 3.26Å; M198-R201 PolarHBondContact O-N 2.75Å; M198-G202 PolarHBondContact O-N 3.24Å; M198-F203 HydrophobicContact CB-CB 4.16Å; M198-F203 HydrophobicContact CE-CB 3.94Å; M198-F203 HydrophobicContact CE-CD1 3.58Å; M198-F203 HydrophobicContact CE-CD2 3.47Å; M198-F203 VanDerWaalsContact CE-CD2 3.47Å; M198-F203 HydrophobicContact CE-CE1 3.86Å; M198-F203 HydrophobicContact CE-CE2 3.74Å; M198-F203 HydrophobicContact CE-CG 3.38Å; M198-F203 HydrophobicContact CE-CZ 3.92Å; M198-F203 PolarHBondContact O-N 3.31Å; M198-F256 HydrophobicContact CB-CD1 4.05Å; M198-F256 HydrophobicContact CB-CD2 4.19Å; M198-F256 HydrophobicContact CB-CE1 3.75Å; M198-F256 HydrophobicContact CB-CE2 3.96Å; M198-F256 HydrophobicContact CB-CG 4.23Å; M198-F256 HydrophobicContact CB-CZ 3.72Å; M198-F256 HydrophobicContact CE-CB 4.27Å; M198-F256 HydrophobicContact CE-CG 4.4Å; M198-F256 HydrophobicContact CG-CD2 4.02Å; M198-F256 HydrophobicContact CG-CE2 4.07Å; M198-F256 HydrophobicContact CG-CG 4.29Å; M198-F256 HydrophobicContact CG-CZ 4.35Å; M198-M278 HydrophobicContact CG-SD 4.39Å; M198-L280 HydrophobicContact CE-CB 4.07Å; M198-L280 HydrophobicContact CE-CD2 3.52Å; M198-L280 HydrophobicContact CE-CG 4.32Å; M198-L280 HydrophobicContact SD-CD2 4.24Å
199V98.7Very high98.7Very high86 Ų8656.1 Ų56.152%0.52131%0.306SS..Hα-helixtrans-61.2-39.4178.6170.50000111.3R195 R201 G202 F256R195-V199 WeakPolarHBondContact O-CB 3.44Å; R195-V199 VanDerWaalsContact O-CG2 3.29Å; R195-V199 WeakPolarHBondContact O-CG2 3.48Å; R195-V199 PolarHBondContact O-N 2.81Å; V199-R201 PolarHBondContact O-N 3.11Å; V199-R201 VanDerWaalsContact O-N 3.12Å; V199-G202 PolarHBondContact O-N 3.41Å; V199-F256 HydrophobicContact CG2-CE1 4.41Å; V199-F256 HydrophobicContact CG2-CZ 4.46Å
200A98.6Very high98.7Very high79 Ų7952.8 Ų52.865%0.65329%0.293SS*.THydrogen-bonded Turntrans-62.4-18.6175.700000113.5Q196 M198Q196-A200 WeakPolarHBondContact O-CB 3.33Å; Q196-A200 PolarHBondContact O-N 3.34Å; M198-A200 VanDerWaalsContact C-N 3.3Å; M198-A200 PolarHBondContact O-N 2.8Å
201R98.6Very high98.7Very high90 Ų9057.4 Ų57.434%0.3432%0.316SS..THydrogen-bonded Turntrans-103.414.2176-72.9170.8175.570.1-2.7113.1F197 M198 V199 F203 R254 S296F197-R201 VanDerWaalsContact CD2-NH1 3.31Å; F197-R201 VanDerWaalsContact CE2-NH1 3.27Å; F197-R201 PolarHBondContact O-NH1 3.15Å; M198-R201 CarbonylContact O-C 3.5Å; M198-R201 WeakPolarHBondContact O-CA 3.26Å; M198-R201 PolarHBondContact O-N 2.75Å; V199-R201 PolarHBondContact O-N 3.11Å; V199-R201 VanDerWaalsContact O-N 3.12Å; R201-F203 VanDerWaalsContact C-N 3.34Å; R201-F203 HydrophobicContact CB-CD2 4.07Å; R201-F203 HydrophobicContact CB-CE2 4.32Å; R201-R254 PolarHBondContact O-NH1 2.96Å; R201-S296 PolarHBondContact NH2-OG 3.17Å
202G98.5Very high98.7Very high54 Ų5456.2 Ų56.256%0.55731%0.309SS*.THydrogen-bonded Turntrans7716.7174.300000114.4M198 V199M198-G202 PolarHBondContact O-N 3.24Å; V199-G202 PolarHBondContact O-N 3.41Å
203F98.9Very high98.6Very high7 Ų757.2 Ų57.23%0.03131%0.309CS..PPolyproline II helixtrans-78.6136.2170.3-74.6-99.4000110.8M198 R201 R254 F256 L280 M282 L293M198-F203 HydrophobicContact CB-CB 4.16Å; M198-F203 HydrophobicContact CE-CB 3.94Å; M198-F203 HydrophobicContact CE-CD1 3.58Å; M198-F203 HydrophobicContact CE-CD2 3.47Å; M198-F203 VanDerWaalsContact CE-CD2 3.47Å; M198-F203 HydrophobicContact CE-CE1 3.86Å; M198-F203 HydrophobicContact CE-CE2 3.74Å; M198-F203 HydrophobicContact CE-CG 3.38Å; M198-F203 HydrophobicContact CE-CZ 3.92Å; M198-F203 PolarHBondContact O-N 3.31Å; R201-F203 VanDerWaalsContact C-N 3.34Å; R201-F203 HydrophobicContact CB-CD2 4.07Å; R201-F203 HydrophobicContact CB-CE2 4.32Å; F203-R254 HydrophobicContact CD1-CB 3.84Å; F203-R254 HydrophobicContact CE1-CB 4.14Å; F203-R254 HydrophobicContact CE1-CG 4.48Å; F203-R254 HydrophobicContact CG-CB 4.03Å; F203-F256 HydrophobicContact CB-CD1 3.62Å; F203-F256 HydrophobicContact CB-CE1 4.11Å; F203-F256 HydrophobicContact CB-CG 4.46Å; F203-F256 HydrophobicContact CD1-CB 4.47Å; F203-L280 HydrophobicContact CD1-CB 4.34Å; F203-L280 HydrophobicContact CE1-CB 4.06Å; F203-L280 HydrophobicContact CE1-CD1 3.77Å; F203-L280 HydrophobicContact CE1-CG 4.4Å; F203-L280 HydrophobicContact CZ-CD1 4Å; F203-M282 HydrophobicContact CE1-CB 4.13Å; F203-M282 HydrophobicContact CE2-SD 4.4Å; F203-M282 HydrophobicContact CZ-CB 3.97Å; F203-M282 HydrophobicContact CZ-CG 4.41Å; F203-M282 HydrophobicContact CZ-SD 3.95Å; F203-L293 HydrophobicContact CE2-CD2 4.38Å; F203-L293 HydrophobicContact CZ-CD2 4.13Å
204M98.9Very high98.4Very high77 Ų7759.7 Ų59.738%0.37932%0.321SS..EExtended strand (participates in β ladder)trans-92.9124.5174.4-176.9171.665.700110.3V206 F252 R254 V255 F256M204-V206 HydrophobicContact CE-CG1 3.77Å; M204-V206 HydrophobicContact CG-CG1 4.18Å; M204-F252 HydrophobicContact CE-CB 4.07Å; M204-F252 HydrophobicContact CE-CD1 3.66Å; M204-F252 HydrophobicContact CE-CD2 3.62Å; M204-F252 HydrophobicContact CE-CE1 3.91Å; M204-F252 HydrophobicContact CE-CE2 3.87Å; M204-F252 HydrophobicContact CE-CG 3.52Å; M204-F252 HydrophobicContact CE-CZ 4.01Å; M204-R254 PolarHBondContact N-O 3.38Å; M204-V255 HydrophobicContact CE-CG1 4.19Å; M204-V255 WeakPolarHBondContact O-CA 3.31Å; M204-F256 WeakPolarHBondContact O-CD1 3.45Å; M204-F256 PolarHBondContact O-N 3.46Å
205E98.9Very high98.2Very high81 Ų8159.8 Ų59.838%0.37932%0.322SS..EExtended strand (participates in β ladder)trans-72.9128.2171.8-166.2169.8-177.500108.8R195 F256R195-E205 WeakPolarHBondContact CD-OE2 3.4Å; R195-E205 IonicContact CZ-OE1 2.83Å; R195-E205 VanDerWaalsContact NE-CD 3.34Å; R195-E205 IonicContact NE-OE1 2.68Å; R195-E205 PolarHBondContact NE-OE1 3.07Å; R195-E205 IonicContact NE-OE2 3.97Å; R195-E205 PolarHBondContact NE-OE2 2.97Å; R195-E205 IonicContact NH2-OE1 3.92Å; R195-E205 PolarHBondContact NH2-OE1 3.22Å; E205-F256 VanDerWaalsContact CA-CE1 3.5Å; E205-F256 VanDerWaalsContact CA-O 3.31Å; E205-F256 WeakPolarHBondContact CA-O 3.38Å; E205-F256 HydrophobicContact CB-CD1 4.24Å; E205-F256 HydrophobicContact CB-CE1 3.57Å; E205-F256 HydrophobicContact CB-CE2 4.28Å; E205-F256 HydrophobicContact CB-CZ 3.58Å; E205-F256 HydrophobicContact CG-CE1 4.29Å; E205-F256 HydrophobicContact CG-CE2 4.11Å; E205-F256 HydrophobicContact CG-CZ 3.9Å; E205-F256 VanDerWaalsContact N-CE1 3.32Å
206V98.8Very high97.9Very high21 Ų2156 Ų5613%0.12731%0.309CS..  trans-127.4165.2-179.1-62.50000111.2M204 L244 L247 V255 F256 E257M204-V206 HydrophobicContact CE-CG1 3.77Å; M204-V206 HydrophobicContact CG-CG1 4.18Å; V206-L244 HydrophobicContact CG2-CD2 3.47Å; V206-L244 VanDerWaalsContact CG2-CD2 3.47Å; V206-L247 HydrophobicContact CB-CD1 4.09Å; V206-L247 HydrophobicContact CG1-CD1 4.14Å; V206-L247 HydrophobicContact CG2-CD1 3.76Å; V206-V255 HydrophobicContact CG1-CB 4.43Å; V206-V255 HydrophobicContact CG1-CG1 4.14Å; V206-V255 HydrophobicContact CG2-CB 4.18Å; V206-F256 PolarHBondContact N-O 2.96Å; V206-E257 HydrophobicContact CG2-CB 4.43Å; V206-E257 WeakPolarHBondContact O-CG 3.37Å
207E98.8Very high97.6Very high176 Ų17650.2 Ų50.282%0.82228%0.284SS*.  trans-126.3113.9176-64.7-179.88600109.3
208T98.7Very high97.3Very high16 Ų1650.5 Ų50.510%0.09829%0.288CS..  trans-101.6164.1175.9680000111.5M210 R237 P240 L244 L247 E257T208-M210 PolarHBondContact O-N 3.23Å; T208-R237 PolarHBondContact O-NH1 3.47Å; T208-R237 PolarHBondContact OG1-NH1 3.04Å; T208-R237 VanDerWaalsContact OG1-NH1 3.1Å; T208-P240 VanDerWaalsContact OG1-CB 3.28Å; T208-P240 WeakPolarHBondContact OG1-CB 3.31Å; T208-L244 HydrophobicContact CG2-CD2 3.71Å; T208-L244 HydrophobicContact CG2-CG 4.12Å; T208-L247 HydrophobicContact CG2-CD1 4.34Å; T208-E257 WeakPolarHBondContact CB-OE2 3.23Å; T208-E257 WeakPolarHBondContact CG2-OE2 3.28Å; T208-E257 PolarHBondContact N-OE2 3.42Å; T208-E257 VanDerWaalsContact N-OE2 3.15Å; T208-E257 PolarHBondContact OG1-OE2 2.69Å
209P98.5Very high96.9Very high57 Ų5753.3 Ų53.337%0.3731%0.308SS..  trans-57.6137-177.6-27.337000114M211 R237 Y243P209-M211 WeakPolarHBondContact CB-O 3.37Å; P209-R237 WeakPolarHBondContact O-CD 3.35Å; P209-Y243 HydrophobicContact CB-CE1 4.45Å; P209-Y243 HydrophobicContact CG-CD1 3.95Å; P209-Y243 HydrophobicContact CG-CE1 3.7Å
210M98.6Very high96.5Very high50 Ų5049.5 Ų49.525%0.24629%0.285CS..SBendtrans-85.4-24169.9-71.1-70.9173.800113T208 L236 R237 N259 F262T208-M210 PolarHBondContact O-N 3.23Å; M210-L236 WeakPolarHBondContact O-CA 3.27Å; M210-R237 VanDerWaalsContact CE-NH2 3.27Å; M210-R237 PolarHBondContact O-N 3.15Å; M210-R237 HydrophobicContact SD-CG 4.23Å; M210-R237 PolarHBondContact SD-NE 3.14Å; M210-R237 VanDerWaalsContact SD-NE 3.35Å; M210-N259 HydrophobicContact CE-CB 3.47Å; M210-N259 VanDerWaalsContact CE-CB 3.47Å; M210-N259 WeakPolarHBondContact CE-ND2 3.42Å; M210-N259 VanDerWaalsContact CE-OD1 3.25Å; M210-N259 WeakPolarHBondContact CE-OD1 3.43Å; M210-F262 HydrophobicContact SD-CE2 3.83Å
211M98.2Very high96.3Very high97 Ų9751.1 Ų51.148%0.47828%0.275SS..EExtended strand (participates in β ladder)trans-107.8125.9173.8-64-179.1-65.300108P209 M234 Y235 L236P209-M211 WeakPolarHBondContact CB-O 3.37Å; M211-M234 HydrophobicContact CB-CE 3.6Å; M211-M234 HydrophobicContact CB-SD 4.11Å; M211-M234 HydrophobicContact CE-CE 3.73Å; M211-M234 HydrophobicContact CG-CE 4.11Å; M211-M234 HydrophobicContact SD-CE 3.49Å; M211-M234 WeakPolarHBondContact SD-CE 3.17Å; M211-Y235 CarbonylContact C-O 3.52Å; M211-Y235 VanDerWaalsContact CA-O 3.3Å; M211-Y235 WeakPolarHBondContact CA-O 3.46Å; M211-L236 HydrophobicContact CG-CD2 4.16Å
212Q97.7Very high96.1Very high4 Ų447.6 Ų47.62%0.01926%0.264CS..EExtended strand (participates in β ladder)trans-123.5145.3-177.4-62.6174.1-22.300109.2I214 Y235 R237 A239 Y243Q212-I214 VanDerWaalsContact C-N 3.34Å; Q212-I214 WeakPolarHBondContact CB-O 3.28Å; Q212-Y235 PolarHBondContact N-O 3.16Å; Q212-Y235 PolarHBondContact O-N 3.12Å; Q212-R237 VanDerWaalsContact CD-CB 3.46Å; Q212-R237 HydrophobicContact CG-CB 4.09Å; Q212-A239 PolarHBondContact NE2-O 2.95Å; Q212-A239 VanDerWaalsContact NE2-O 3.15Å; Q212-Y243 HydrophobicContact CB-CE2 4.45Å; Q212-Y243 HydrophobicContact CG-CD2 4.46Å; Q212-Y243 HydrophobicContact CG-CE2 3.69Å
213V96.8Very high96.1Very high79 Ų7948 Ų4848%0.47925%0.25SS..SBendtrans-72.9-33.5174.8-177.20000110.5L232 Y235V213-L232 HydrophobicContact CG2-CD2 4.33Å; V213-Y235 VanDerWaalsContact O-CD2 3.28Å; V213-Y235 WeakPolarHBondContact O-CD2 3.47Å; V213-Y235 VanDerWaalsContact O-CE2 3.23Å; V213-Y235 WeakPolarHBondContact O-CE2 3.46Å
214I94.8Very high96Very high56 Ų5653.1 Ų53.129%0.28728%0.277SS..SBendtrans-125121.4174.9-55.5176.3000107Q212 F456Q212-I214 VanDerWaalsContact C-N 3.34Å; Q212-I214 WeakPolarHBondContact CB-O 3.28Å; I214-F456 HydrophobicContact CG2-CB 3.5Å; I214-F456 HydrophobicContact CG2-CG 4.18Å
215P94.3Very high96Very high3 Ų352.4 Ų52.42%0.01928%0.277CS..  trans-77.7132174.530.9-28.4000109.2P222 Y235 I238 F456P215-P222 HydrophobicContact CB-CB 3.88Å; P215-P222 HydrophobicContact CB-CG 4.22Å; P215-P222 HydrophobicContact CG-CB 4.05Å; P215-P222 HydrophobicContact CG-CG 3.84Å; P215-Y235 HydrophobicContact CB-CD1 4.5Å; P215-Y235 HydrophobicContact CB-CG 4.16Å; P215-Y235 HydrophobicContact CG-CD1 3.81Å; P215-Y235 HydrophobicContact CG-CD2 4.15Å; P215-Y235 HydrophobicContact CG-CE1 4.28Å; P215-Y235 HydrophobicContact CG-CG 3.72Å; P215-I238 HydrophobicContact CB-CD1 4.47Å; P215-F456 HydrophobicContact CG-CD2 3.83Å; P215-F456 HydrophobicContact CG-CE2 3.49Å; P215-F456 VanDerWaalsContact CG-CE2 3.49Å; P215-F456 HydrophobicContact CG-CZ 4.12Å
216G93.4Very high95.9Very high5 Ų551.7 Ų51.75%0.05227%0.273CS..  trans-160.1-175.6-178.700000112.9A218 I238G216-A218 VanDerWaalsContact C-N 3.3Å; G216-A218 PolarHBondContact O-N 3.1Å; G216-I238 WeakPolarHBondContact O-CG1 3.16Å
217G92.6Very high95.9Very high7 Ų754.1 Ų54.17%0.07228%0.283CS..SBendtrans83.3-2.7-178.700000115.1
218A92.1Very high95.8Very high15 Ų1552.4 Ų52.412%0.12428%0.28CS..SBendtrans-156.7165.6171.700000109.9G216 I238 A239G216-A218 VanDerWaalsContact C-N 3.3Å; G216-A218 PolarHBondContact O-N 3.1Å; A218-I238 HydrophobicContact CB-CD1 4.27Å; A218-I238 HydrophobicContact CB-CG1 4.26Å; A218-I238 WeakPolarHBondContact O-CD1 3.45Å; A218-A239 HydrophobicContact CB-CB 4.1Å
219S89.8Confident95.7Very high59 Ų5956.1 Ų56.141%0.41331%0.312SS..SBendtrans-94.7102.3167.5-55.40000108.8E453S219-E453 WeakPolarHBondContact CA-O 3.44Å
220A91.7Very high95.7Very high6 Ų659.1 Ų59.15%0.0532%0.324CS..SBendtrans-165.5151178.900000111.3P222 I238 R263 E265A220-P222 WeakPolarHBondContact O-CD 3.36Å; A220-I238 HydrophobicContact CB-CB 4.27Å; A220-I238 HydrophobicContact CB-CD1 4.46Å; A220-I238 HydrophobicContact CB-CG2 4.14Å; A220-R263 HydrophobicContact CB-CB 4.28Å; A220-R263 HydrophobicContact CB-CG 3.62Å; A220-E265 WeakPolarHBondContact CB-OE1 3.43Å
221R92.6Very high95.6Very high113 Ų11363 Ų6343%0.42635%0.346SS..PPolyproline II helixtrans-71.7125.1173.6-171.1175.4-71.2175.7-4110.7N264 D452R221-N264 HydrophobicContact CB-CB 4.42Å; R221-N264 HydrophobicContact CG-CB 4.21Å; R221-N264 WeakPolarHBondContact O-CB 3.37Å; R221-N264 PolarHBondContact O-N 3.48Å; R221-D452 IonicContact CZ-OD2 3.16Å; R221-D452 IonicContact NH2-OD2 2.79Å; R221-D452 PolarHBondContact NH2-OD2 2.6Å
222P96.2Very high95.5Very high17 Ų1761.5 Ų61.511%0.1134%0.339CS..PPolyproline II helixtrans-82.3161.8-179.134.2-37.6000112.6P215 A220 Y235 I238 N264P215-P222 HydrophobicContact CB-CB 3.88Å; P215-P222 HydrophobicContact CB-CG 4.22Å; P215-P222 HydrophobicContact CG-CB 4.05Å; P215-P222 HydrophobicContact CG-CG 3.84Å; A220-P222 WeakPolarHBondContact O-CD 3.36Å; P222-Y235 HydrophobicContact CB-CD1 3.89Å; P222-Y235 HydrophobicContact CG-CD1 3.68Å; P222-Y235 HydrophobicContact CG-CE1 4.17Å; P222-I238 HydrophobicContact CB-CG2 4.05Å; P222-N264 WeakPolarHBondContact O-CB 3.44Å; P222-N264 PolarHBondContact O-ND2 3.17Å
223F97.2Very high95.5Very high63 Ų6365.3 Ų65.328%0.27636%0.36SS..EExtended strand (participates in β ladder)trans-84.4135.3159.7-73.7-85.9000109.7Y235 L236 F262 R263 N264 P273F223-Y235 VanDerWaalsContact O-CA 3.3Å; F223-Y235 WeakPolarHBondContact O-CA 3.5Å; F223-L236 HydrophobicContact CB-CB 4.11Å; F223-L236 HydrophobicContact CB-CD1 3.89Å; F223-L236 HydrophobicContact CB-CG 4.02Å; F223-L236 HydrophobicContact CG-CD1 4.38Å; F223-L236 PolarHBondContact O-N 2.92Å; F223-F262 HydrophobicContact CD2-CB 3.82Å; F223-F262 HydrophobicContact CE2-CB 4.31Å; F223-R263 VanDerWaalsContact CE2-C 3.47Å; F223-R263 WeakPolarHBondContact CE2-O 3.26Å; F223-N264 HydrophobicContact CD1-CB 4.12Å; F223-N264 HydrophobicContact CD2-CB 3.96Å; F223-N264 HydrophobicContact CE1-CB 4.07Å; F223-N264 HydrophobicContact CE2-CB 3.95Å; F223-N264 HydrophobicContact CG-CB 4.07Å; F223-N264 HydrophobicContact CZ-CB 3.99Å; F223-P273 HydrophobicContact CE2-CB 4.11Å; F223-P273 HydrophobicContact CZ-CB 3.94Å
224I97.6Very high95.6Very high113 Ų11362.6 Ų62.658%0.57934%0.342SS*.EExtended strand (participates in β ladder)trans-101.3137.7179.3-53.7170.9000108.8Y235I224-Y235 HydrophobicContact CD1-CE1 4.23Å; I224-Y235 HydrophobicContact CG1-CD1 3.86Å; I224-Y235 HydrophobicContact CG1-CE1 3.68Å
225T98.2Very high95.7Very high62 Ų6262.1 Ų62.138%0.3834%0.337SS..EExtended strand (participates in β ladder)trans-138172.3172.5-169.90000109.6M234T225-M234 HydrophobicContact CG2-CB 4.07Å; T225-M234 WeakPolarHBondContact CG2-O 3.24Å; T225-M234 PolarHBondContact N-O 2.79Å; T225-M234 PolarHBondContact O-N 3.45Å
226H98.2Very high95.9Very high67 Ų6764.1 Ų64.131%0.3135%0.348SS..EExtended strand (participates in β ladder)trans-134.7128.2-175.8-174.584.2000111.3N228 D231 L232 D233H226-N228 PolarHBondContact CD2-OD1 2.92Å; H226-N228 PolarHBondContact O-N 3.25Å; H226-D231 IonicContact CE1-OD1 2.7Å; H226-D231 PolarHBondContact CE1-OD1 3.47Å; H226-D231 IonicContact NE2-OD1 3.73Å; H226-D231 PolarHBondContact NE2-OD1 2.76Å; H226-L232 PolarHBondContact CE1-N 3.12Å; H226-D233 IonicContact CE1-OD1 3.42Å; H226-D233 IonicContact CG-OD1 3.83Å; H226-D233 IonicContact ND1-OD1 2.65Å; H226-D233 PolarHBondContact ND1-OD1 3Å
227H97.3Very high96.2Very high71 Ų7164 Ų6433%0.32935%0.345SS..EExtended strand (participates in β ladder)trans-9089.1177.5-170.7-66.5000110.8A229 L230 D231 L232 M234H227-A229 VanDerWaalsContact C-N 3.27Å; H227-A229 PolarHBondContact O-N 2.74Å; H227-L230 WeakPolarHBondContact ND1-CG 3.39Å; H227-L230 PolarHBondContact ND1-N 2.94Å; H227-L230 PolarHBondContact O-N 2.88Å; H227-D231 PolarHBondContact O-N 2.76Å; H227-L232 PolarHBondContact N-O 3.23Å; H227-L232 PolarHBondContact O-N 2.73Å; H227-M234 HydrophobicContact CB-CE 4.2Å
228N97.1Very high96.4Very high141 Ų14163.9 Ų63.975%0.75434%0.343SS*.THydrogen-bonded Turntrans-47.4-40.6-173.2-65.6-41.5000115.5H226 L230H226-N228 PolarHBondContact CD2-OD1 2.92Å; H226-N228 PolarHBondContact O-N 3.25Å; N228-L230 VanDerWaalsContact C-N 3.34Å
229A97.4Very high96.7Very high93 Ų9363.3 Ų63.377%0.76934%0.338SS*.THydrogen-bonded Turntrans-77.6-19.7-175.700000113.8H227H227-A229 VanDerWaalsContact C-N 3.27Å; H227-A229 PolarHBondContact O-N 2.74Å
230L97.1Very high97.1Very high120 Ų12060.6 Ų60.663%0.62832%0.319SS*.THydrogen-bonded Turntrans-104.3-5.1176.5-67.3176000111.5H227 N228 L232H227-L230 WeakPolarHBondContact ND1-CG 3.39Å; H227-L230 PolarHBondContact ND1-N 2.94Å; H227-L230 PolarHBondContact O-N 2.88Å; N228-L230 VanDerWaalsContact C-N 3.34Å; L230-L232 HydrophobicContact CB-CB 4.02Å; L230-L232 PolarHBondContact O-N 3.02Å
231D96.7Very high97.4Very high133 Ų13360.9 Ų60.971%0.71132%0.32SS*.THydrogen-bonded Turntrans48.248-172.7-16429.8000111.6H226 H227H226-D231 IonicContact CE1-OD1 2.7Å; H226-D231 PolarHBondContact CE1-OD1 3.47Å; H226-D231 IonicContact NE2-OD1 3.73Å; H226-D231 PolarHBondContact NE2-OD1 2.76Å; H227-D231 PolarHBondContact O-N 2.76Å
232L97Very high97.7Very high64 Ų6455.9 Ų55.934%0.33530%0.301SS..EExtended strand (participates in β ladder)trans-128.9124.9-170.1179.264.3000110.9V213 H226 H227 L230 M234V213-L232 HydrophobicContact CG2-CD2 4.33Å; H226-L232 PolarHBondContact CE1-N 3.12Å; H227-L232 PolarHBondContact N-O 3.23Å; H227-L232 PolarHBondContact O-N 2.73Å; L230-L232 HydrophobicContact CB-CB 4.02Å; L230-L232 PolarHBondContact O-N 3.02Å; L232-M234 HydrophobicContact CD2-CG 4.44Å; L232-M234 HydrophobicContact CG-CG 4.36Å
233D97.7Very high97.8Very high84 Ų8458.1 Ų58.145%0.44931%0.308SS..EExtended strand (participates in β ladder)trans-69.1135.9168.4-73.6-15.4000110.3H226H226-D233 IonicContact CE1-OD1 3.42Å; H226-D233 IonicContact CG-OD1 3.83Å; H226-D233 IonicContact ND1-OD1 2.65Å; H226-D233 PolarHBondContact ND1-OD1 3Å
234M97.7Very high97.9Very high23 Ų2355.1 Ų55.111%0.11330%0.295CS..EExtended strand (participates in β ladder)trans-132.3162.1175.4-65.7-149.4-64.700110.1M211 T225 H227 L232M211-M234 HydrophobicContact CB-CE 3.6Å; M211-M234 HydrophobicContact CB-SD 4.11Å; M211-M234 HydrophobicContact CE-CE 3.73Å; M211-M234 HydrophobicContact CG-CE 4.11Å; M211-M234 HydrophobicContact SD-CE 3.49Å; M211-M234 WeakPolarHBondContact SD-CE 3.17Å; T225-M234 HydrophobicContact CG2-CB 4.07Å; T225-M234 WeakPolarHBondContact CG2-O 3.24Å; T225-M234 PolarHBondContact N-O 2.79Å; T225-M234 PolarHBondContact O-N 3.45Å; H227-M234 HydrophobicContact CB-CE 4.2Å; L232-M234 HydrophobicContact CD2-CG 4.44Å; L232-M234 HydrophobicContact CG-CG 4.36Å
235Y98.1Very high98Very high45 Ų4549.7 Ų49.718%0.17627%0.267CS..EExtended strand (participates in β ladder)trans-121.2138.2-176.9-58.2-94.2000109.6M211 Q212 V213 P215 P222 F223 I224M211-Y235 CarbonylContact C-O 3.52Å; M211-Y235 VanDerWaalsContact CA-O 3.3Å; M211-Y235 WeakPolarHBondContact CA-O 3.46Å; Q212-Y235 PolarHBondContact N-O 3.16Å; Q212-Y235 PolarHBondContact O-N 3.12Å; V213-Y235 VanDerWaalsContact O-CD2 3.28Å; V213-Y235 WeakPolarHBondContact O-CD2 3.47Å; V213-Y235 VanDerWaalsContact O-CE2 3.23Å; V213-Y235 WeakPolarHBondContact O-CE2 3.46Å; P215-Y235 HydrophobicContact CB-CD1 4.5Å; P215-Y235 HydrophobicContact CB-CG 4.16Å; P215-Y235 HydrophobicContact CG-CD1 3.81Å; P215-Y235 HydrophobicContact CG-CD2 4.15Å; P215-Y235 HydrophobicContact CG-CE1 4.28Å; P215-Y235 HydrophobicContact CG-CG 3.72Å; P222-Y235 HydrophobicContact CB-CD1 3.89Å; P222-Y235 HydrophobicContact CG-CD1 3.68Å; P222-Y235 HydrophobicContact CG-CE1 4.17Å; F223-Y235 VanDerWaalsContact O-CA 3.3Å; F223-Y235 WeakPolarHBondContact O-CA 3.5Å; I224-Y235 HydrophobicContact CD1-CE1 4.23Å; I224-Y235 HydrophobicContact CG1-CD1 3.86Å; I224-Y235 HydrophobicContact CG1-CE1 3.68Å
236L98.5Very high98Very high46 Ų4648.7 Ų48.724%0.24126%0.256CS..EExtended strand (participates in β ladder)trans-69.5132.7165-58.1-175.3000108.2M210 M211 F223 I238 F262M210-L236 WeakPolarHBondContact O-CA 3.27Å; M211-L236 HydrophobicContact CG-CD2 4.16Å; F223-L236 HydrophobicContact CB-CB 4.11Å; F223-L236 HydrophobicContact CB-CD1 3.89Å; F223-L236 HydrophobicContact CB-CG 4.02Å; F223-L236 HydrophobicContact CG-CD1 4.38Å; F223-L236 PolarHBondContact O-N 2.92Å; L236-I238 PolarHBondContact O-N 3.22Å; L236-F262 HydrophobicContact CB-CB 3.73Å; L236-F262 HydrophobicContact CB-CD2 3.75Å; L236-F262 HydrophobicContact CB-CG 3.81Å; L236-F262 HydrophobicContact CD1-CB 4.19Å; L236-F262 HydrophobicContact CD1-CD1 3.91Å; L236-F262 HydrophobicContact CD1-CD2 4.34Å; L236-F262 HydrophobicContact CD1-CE1 4.36Å; L236-F262 HydrophobicContact CD1-CG 3.89Å; L236-F262 HydrophobicContact CG-CG 4.47Å
237R98.4Very high98Very high2 Ų247.8 Ų47.81%0.00825%0.254CS..  trans-60.2136.7-173.474.7179.3-170.5-16710.4112.1T208 P209 M210 Q212 E257 R260 N261 F262T208-R237 PolarHBondContact O-NH1 3.47Å; T208-R237 PolarHBondContact OG1-NH1 3.04Å; T208-R237 VanDerWaalsContact OG1-NH1 3.1Å; P209-R237 WeakPolarHBondContact O-CD 3.35Å; M210-R237 VanDerWaalsContact CE-NH2 3.27Å; M210-R237 PolarHBondContact O-N 3.15Å; M210-R237 HydrophobicContact SD-CG 4.23Å; M210-R237 PolarHBondContact SD-NE 3.14Å; M210-R237 VanDerWaalsContact SD-NE 3.35Å; Q212-R237 VanDerWaalsContact CD-CB 3.46Å; Q212-R237 HydrophobicContact CG-CB 4.09Å; R237-E257 IonicContact CZ-OE1 2.82Å; R237-E257 IonicContact NH1-OE1 2.91Å; R237-E257 PolarHBondContact NH1-OE1 3.23Å; R237-E257 IonicContact NH1-OE2 3.32Å; R237-E257 PolarHBondContact NH1-OE2 2.82Å; R237-E257 IonicContact NH2-OE1 3.09Å; R237-E257 PolarHBondContact NH2-OE1 2.72Å; R237-R260 PolarHBondContact NE-O 3.03Å; R237-R260 PolarHBondContact NH2-O 3.41Å; R237-R260 VanDerWaalsContact NH2-O 3.15Å; R237-N261 PolarHBondContact NE-OD1 2.94Å; R237-F262 PolarHBondContact O-N 3.32Å
238I97.9Very high98.1Very high5 Ų544.5 Ų44.53%0.02624%0.239CC..SBendtrans-88.5-24.4169.460.2178.7000111.6P215 G216 A218 A220 P222 L236 N261 F262 R263P215-I238 HydrophobicContact CB-CD1 4.47Å; G216-I238 WeakPolarHBondContact O-CG1 3.16Å; A218-I238 HydrophobicContact CB-CD1 4.27Å; A218-I238 HydrophobicContact CB-CG1 4.26Å; A218-I238 WeakPolarHBondContact O-CD1 3.45Å; A220-I238 HydrophobicContact CB-CB 4.27Å; A220-I238 HydrophobicContact CB-CD1 4.46Å; A220-I238 HydrophobicContact CB-CG2 4.14Å; P222-I238 HydrophobicContact CB-CG2 4.05Å; L236-I238 PolarHBondContact O-N 3.22Å; I238-N261 WeakPolarHBondContact O-CB 3.48Å; I238-N261 PolarHBondContact O-ND2 2.95Å; I238-F262 WeakPolarHBondContact CG2-O 3.49Å; I238-R263 HydrophobicContact CG2-CG 4.43Å
239A98.2Very high98.2Very high2 Ų239.6 Ų39.62%0.01721%0.213CC..  trans-158.9150.8169.500000111.2Q212 A218 E241Q212-A239 PolarHBondContact NE2-O 2.95Å; Q212-A239 VanDerWaalsContact NE2-O 3.15Å; A218-A239 HydrophobicContact CB-CB 4.1Å; A239-E241 HydrophobicContact CB-CB 4.41Å
240P98.5Very high98.2Very high3 Ų338.2 Ų38.22%0.01921%0.208CC..SBendtrans-83.4-8.6169.131.6-37.8000115.1T208 L242 Y243 L244 N261 E279T208-P240 VanDerWaalsContact OG1-CB 3.28Å; T208-P240 WeakPolarHBondContact OG1-CB 3.31Å; P240-L242 PolarHBondContact O-N 3.28Å; P240-L242 VanDerWaalsContact O-N 3.11Å; P240-Y243 WeakPolarHBondContact O-CB 3.4Å; P240-Y243 PolarHBondContact O-N 3.37Å; P240-L244 HydrophobicContact CB-CD1 4.04Å; P240-L244 HydrophobicContact CB-CG 4.26Å; P240-L244 HydrophobicContact CG-CD1 3.94Å; P240-L244 PolarHBondContact O-N 3.46Å; P240-L244 VanDerWaalsContact O-N 3.1Å; P240-N261 WeakPolarHBondContact CD-OD1 3.38Å; P240-E279 VanDerWaalsContact CD-OE1 3.25Å; P240-E279 WeakPolarHBondContact CD-OE1 3.3Å; P240-E279 HydrophobicContact CG-CB 4.3Å; P240-E279 HydrophobicContact CG-CG 4.26Å
241E98.6Very high98.3Very high12 Ų1234.8 Ų34.86%0.05620%0.202CC..Hα-helixtrans-35.3-56.7-175165156176.700115.1A239 Y243 L244 K245 E279 Y281 L400A239-E241 HydrophobicContact CB-CB 4.41Å; E241-Y243 VanDerWaalsContact C-N 3.25Å; E241-Y243 PolarHBondContact O-N 2.82Å; E241-L244 PolarHBondContact O-N 3.26Å; E241-L244 VanDerWaalsContact O-N 3.15Å; E241-K245 HydrophobicContact CG-CD 4.28Å; E241-K245 WeakPolarHBondContact O-CG 3.38Å; E241-K245 PolarHBondContact O-N 2.98Å; E241-K245 VanDerWaalsContact OE1-CE 3.27Å; E241-K245 WeakPolarHBondContact OE1-CE 3.3Å; E241-K245 IonicContact OE1-NZ 3.29Å; E241-K245 PolarHBondContact OE1-NZ 3.26Å; E241-E279 VanDerWaalsContact CA-OE2 3.25Å; E241-E279 WeakPolarHBondContact CA-OE2 3.2Å; E241-E279 WeakPolarHBondContact CB-OE2 3.4Å; E241-E279 PolarHBondContact N-OE2 3.3Å; E241-Y281 WeakPolarHBondContact CA-OH 3.41Å; E241-Y281 WeakPolarHBondContact CB-OH 3.37Å; E241-Y281 WeakPolarHBondContact CG-OH 3.24Å; E241-L400 HydrophobicContact CG-CD1 4.34Å; E241-L400 WeakPolarHBondContact OE1-CB 3.28Å; E241-L400 WeakPolarHBondContact OE1-CD1 3.26Å
242L98Very high98.4Very high8 Ų833.5 Ų33.54%0.04219%0.19CC..Hα-helixtrans-64.8-28.5-175.2-53.5-174.7000113.1P240 R246 L400 D458 Y461P240-L242 PolarHBondContact O-N 3.28Å; P240-L242 VanDerWaalsContact O-N 3.11Å; L242-R246 WeakPolarHBondContact O-CG 3.21Å; L242-R246 PolarHBondContact O-N 2.8Å; L242-R246 PolarHBondContact O-NH1 3.28Å; L242-L400 HydrophobicContact CD2-CD1 4.4Å; L242-L400 HydrophobicContact CD2-CD2 4.43Å; L242-D458 HydrophobicContact CD1-CB 4.44Å; L242-Y461 HydrophobicContact CB-CD2 3.97Å; L242-Y461 HydrophobicContact CB-CE2 4.26Å; L242-Y461 HydrophobicContact CB-CG 4.38Å; L242-Y461 HydrophobicContact CD2-CD1 4.01Å; L242-Y461 HydrophobicContact CD2-CD2 4.17Å; L242-Y461 HydrophobicContact CD2-CE1 3.81Å; L242-Y461 HydrophobicContact CD2-CE2 3.99Å; L242-Y461 HydrophobicContact CD2-CG 4.18Å
243Y98.7Very high98.5Very high63 Ų6335 Ų3525%0.24720%0.196CC..Hα-helixtrans-79.6-38.7175.5-78-99.3000111.4P209 Q212 P240 E241 K245 R246 L247P209-Y243 HydrophobicContact CB-CE1 4.45Å; P209-Y243 HydrophobicContact CG-CD1 3.95Å; P209-Y243 HydrophobicContact CG-CE1 3.7Å; Q212-Y243 HydrophobicContact CB-CE2 4.45Å; Q212-Y243 HydrophobicContact CG-CD2 4.46Å; Q212-Y243 HydrophobicContact CG-CE2 3.69Å; P240-Y243 WeakPolarHBondContact O-CB 3.4Å; P240-Y243 PolarHBondContact O-N 3.37Å; E241-Y243 VanDerWaalsContact C-N 3.25Å; E241-Y243 PolarHBondContact O-N 2.82Å; Y243-K245 VanDerWaalsContact C-N 3.33Å; Y243-K245 PolarHBondContact O-N 2.91Å; Y243-R246 WeakPolarHBondContact O-CB 3.48Å; Y243-R246 PolarHBondContact O-N 2.89Å; Y243-L247 PolarHBondContact O-N 2.84Å
244L98.8Very high98.5Very high0 Ų036 Ų360%019%0.193CC..Hα-helixtrans-64.1-39.3176.8-68.9171.5000111.3V206 T208 P240 E241 R246 L247 V248 V255 E257 E279 Y281V206-L244 HydrophobicContact CG2-CD2 3.47Å; V206-L244 VanDerWaalsContact CG2-CD2 3.47Å; T208-L244 HydrophobicContact CG2-CD2 3.71Å; T208-L244 HydrophobicContact CG2-CG 4.12Å; P240-L244 HydrophobicContact CB-CD1 4.04Å; P240-L244 HydrophobicContact CB-CG 4.26Å; P240-L244 HydrophobicContact CG-CD1 3.94Å; P240-L244 PolarHBondContact O-N 3.46Å; P240-L244 VanDerWaalsContact O-N 3.1Å; E241-L244 PolarHBondContact O-N 3.26Å; E241-L244 VanDerWaalsContact O-N 3.15Å; L244-R246 PolarHBondContact O-N 3.23Å; L244-L247 HydrophobicContact CD2-CD1 4.2Å; L244-L247 VanDerWaalsContact O-CB 3.27Å; L244-L247 WeakPolarHBondContact O-CB 3.36Å; L244-L247 PolarHBondContact O-N 3.49Å; L244-V248 PolarHBondContact O-N 3.24Å; L244-V255 HydrophobicContact CD2-CG2 4.26Å; L244-E257 HydrophobicContact CD1-CB 4.37Å; L244-E257 HydrophobicContact CD2-CB 4.23Å; L244-E279 HydrophobicContact CD1-CB 3.63Å; L244-Y281 HydrophobicContact CB-CD2 3.44Å; L244-Y281 VanDerWaalsContact CB-CD2 3.44Å; L244-Y281 HydrophobicContact CB-CE2 3.5Å; L244-Y281 HydrophobicContact CB-CG 4.41Å; L244-Y281 HydrophobicContact CD1-CD2 3.91Å; L244-Y281 HydrophobicContact CD1-CE2 3.62Å; L244-Y281 HydrophobicContact CG-CD2 4.27Å; L244-Y281 HydrophobicContact CG-CE2 4.2Å
245K98.7Very high98.6Very high0 Ų034.9 Ų34.90%019%0.188CC..Hα-helixtrans-64.1-36.8173.4-70.2179-177.3179.20113.3E241 Y243 L247 V248 V249 Y281 E429 Y461 L469E241-K245 HydrophobicContact CG-CD 4.28Å; E241-K245 WeakPolarHBondContact O-CG 3.38Å; E241-K245 PolarHBondContact O-N 2.98Å; E241-K245 VanDerWaalsContact OE1-CE 3.27Å; E241-K245 WeakPolarHBondContact OE1-CE 3.3Å; E241-K245 IonicContact OE1-NZ 3.29Å; E241-K245 PolarHBondContact OE1-NZ 3.26Å; Y243-K245 VanDerWaalsContact C-N 3.33Å; Y243-K245 PolarHBondContact O-N 2.91Å; K245-L247 PolarHBondContact O-N 2.93Å; K245-V248 WeakPolarHBondContact O-CB 3.48Å; K245-V248 PolarHBondContact O-N 3.02Å; K245-V249 PolarHBondContact O-N 2.88Å; K245-Y281 HydrophobicContact CD-CE1 4.19Å; K245-Y281 VanDerWaalsContact CE-CE1 3.47Å; K245-Y281 HydrophobicContact CG-CD1 3.91Å; K245-Y281 HydrophobicContact CG-CE1 3.65Å; K245-E429 VanDerWaalsContact CE-CD 3.41Å; K245-E429 WeakPolarHBondContact CE-OE2 3.37Å; K245-E429 IonicContact NZ-OE2 2.81Å; K245-E429 PolarHBondContact NZ-OE2 3.05Å; K245-Y461 HydrophobicContact CB-CE2 3.91Å; K245-Y461 HydrophobicContact CD-CE2 4.08Å; K245-Y461 WeakPolarHBondContact CD-OH 3.3Å; K245-L469 HydrophobicContact CD-CD2 4.39Å
246R98.8Very high98.6Very high41 Ų4132.7 Ų32.716%0.15518%0.179CC..Hα-helixtrans-59.4-32.8171.3-73.4171.1175.688.9-14.4111.9L242 Y243 L244 G250 D458 D460 A464L242-R246 WeakPolarHBondContact O-CG 3.21Å; L242-R246 PolarHBondContact O-N 2.8Å; L242-R246 PolarHBondContact O-NH1 3.28Å; Y243-R246 WeakPolarHBondContact O-CB 3.48Å; Y243-R246 PolarHBondContact O-N 2.89Å; L244-R246 PolarHBondContact O-N 3.23Å; R246-G250 PolarHBondContact O-N 2.86Å; R246-D458 IonicContact CZ-OD2 3.64Å; R246-D458 IonicContact NH1-OD2 2.82Å; R246-D458 IonicContact NH2-OD1 3.83Å; R246-D458 PolarHBondContact NH2-OD1 3.19Å; R246-D458 IonicContact NH2-OD2 3.48Å; R246-D458 PolarHBondContact NH2-OD2 3.4Å; R246-D460 IonicContact CZ-OD2 3.53Å; R246-D460 VanDerWaalsContact CZ-OD2 3.29Å; R246-D460 IonicContact NE-OD2 2.96Å; R246-D460 PolarHBondContact NE-OD2 3.02Å; R246-D460 IonicContact NH2-OD2 3.42Å; R246-D460 PolarHBondContact NH2-OD2 3.4Å; R246-A464 HydrophobicContact CG-CB 3.83Å
247L98.9Very high98.7Very high48 Ų4830.7 Ų30.725%0.25117%0.168SC..Hα-helixtrans-68.2-37.2173.5-60.7-178.2000112.3V206 T208 Y243 L244 K245 G250 G251 F252 V255V206-L247 HydrophobicContact CB-CD1 4.09Å; V206-L247 HydrophobicContact CG1-CD1 4.14Å; V206-L247 HydrophobicContact CG2-CD1 3.76Å; T208-L247 HydrophobicContact CG2-CD1 4.34Å; Y243-L247 PolarHBondContact O-N 2.84Å; L244-L247 HydrophobicContact CD2-CD1 4.2Å; L244-L247 VanDerWaalsContact O-CB 3.27Å; L244-L247 WeakPolarHBondContact O-CB 3.36Å; L244-L247 PolarHBondContact O-N 3.49Å; K245-L247 PolarHBondContact O-N 2.93Å; L247-G250 CarbonylContact O-C 3.57Å; L247-G250 WeakPolarHBondContact O-CA 3.31Å; L247-G250 PolarHBondContact O-N 3.28Å; L247-G250 VanDerWaalsContact O-N 3.14Å; L247-G251 PolarHBondContact O-N 3.4Å; L247-F252 HydrophobicContact CB-CB 4.41Å; L247-F252 HydrophobicContact CB-CD2 4.12Å; L247-F252 HydrophobicContact CD2-CD2 4.28Å; L247-F252 PolarHBondContact O-N 2.95Å; L247-V255 HydrophobicContact CB-CG1 4.48Å; L247-V255 HydrophobicContact CD1-CG1 4.47Å
248V98.9Very high98.7Very high2 Ų230.9 Ų30.91%0.01217%0.17CC..Hα-helixtrans-66.9-42.8175.2-174.70000111L244 K245 G250 G251 V255 A283 L469 P470 T472L244-V248 PolarHBondContact O-N 3.24Å; K245-V248 WeakPolarHBondContact O-CB 3.48Å; K245-V248 PolarHBondContact O-N 3.02Å; V248-G250 PolarHBondContact O-N 3.14Å; V248-G251 WeakPolarHBondContact O-CA 3.25Å; V248-G251 PolarHBondContact O-N 3.28Å; V248-V255 HydrophobicContact CG2-CG2 4.3Å; V248-A283 HydrophobicContact CG1-CB 4.03Å; V248-L469 HydrophobicContact CB-CD1 3.76Å; V248-L469 HydrophobicContact CG1-CD1 3.68Å; V248-P470 HydrophobicContact CG1-CG 3.75Å; V248-T472 HydrophobicContact CG1-CG2 4.4Å
249V98.8Very high98.7Very high37 Ų3732.7 Ų32.722%0.22418%0.179CC..Hα-helixtrans-54-41.5168.2172.60000110.6K245 G251 A464 L469K245-V249 PolarHBondContact O-N 2.88Å; V249-G251 PolarHBondContact O-N 3.14Å; V249-G251 VanDerWaalsContact O-N 3.16Å; V249-A464 WeakPolarHBondContact CG1-O 3.29Å; V249-L469 HydrophobicContact CG2-CB 3.81Å; V249-L469 HydrophobicContact CG2-CD1 4.18Å
250G98.7Very high98.7Very high64 Ų6436.4 Ų36.466%0.6619%0.193SC*.THydrogen-bonded Turntrans-68.1-3.8175.400000115.6R246 L247 V248R246-G250 PolarHBondContact O-N 2.86Å; L247-G250 CarbonylContact O-C 3.57Å; L247-G250 WeakPolarHBondContact O-CA 3.31Å; L247-G250 PolarHBondContact O-N 3.28Å; L247-G250 VanDerWaalsContact O-N 3.14Å; V248-G250 PolarHBondContact O-N 3.14Å
251G98.6Very high98.7Very high49 Ų4936.3 Ų36.351%0.50519%0.192SC..THydrogen-bonded Turntrans95.47.5177.700000115.2L247 V248 V249 E253L247-G251 PolarHBondContact O-N 3.4Å; V248-G251 WeakPolarHBondContact O-CA 3.25Å; V248-G251 PolarHBondContact O-N 3.28Å; V249-G251 PolarHBondContact O-N 3.14Å; V249-G251 VanDerWaalsContact O-N 3.16Å; G251-E253 PolarHBondContact O-N 3.36Å
252F98.8Very high98.7Very high105 Ų10537.4 Ų37.446%0.46120%0.197SC..  trans-82.890.4169.2-64.2-37.5000110.5M204 L247 R254 V255M204-F252 HydrophobicContact CE-CB 4.07Å; M204-F252 HydrophobicContact CE-CD1 3.66Å; M204-F252 HydrophobicContact CE-CD2 3.62Å; M204-F252 HydrophobicContact CE-CE1 3.91Å; M204-F252 HydrophobicContact CE-CE2 3.87Å; M204-F252 HydrophobicContact CE-CG 3.52Å; M204-F252 HydrophobicContact CE-CZ 4.01Å; L247-F252 HydrophobicContact CB-CB 4.41Å; L247-F252 HydrophobicContact CB-CD2 4.12Å; L247-F252 HydrophobicContact CD2-CD2 4.28Å; L247-F252 PolarHBondContact O-N 2.95Å; F252-R254 VanDerWaalsContact C-N 3.29Å; F252-R254 PolarHBondContact O-N 2.99Å; F252-V255 HydrophobicContact CB-CG1 3.54Å; F252-V255 HydrophobicContact CG-CG1 4.45Å
253E98.8Very high98.7Very high97 Ų9740.1 Ų40.145%0.45321%0.207SC..  trans-68.7-18.9-170.2-63.7177.6160.100115G251 M282 A283 Y284G251-E253 PolarHBondContact O-N 3.36Å; E253-M282 CarbonylContact O-C 3.58Å; E253-M282 WeakPolarHBondContact O-CA 3.48Å; E253-A283 HydrophobicContact CB-CB 3.96Å; E253-A283 HydrophobicContact CG-CB 4.2Å; E253-A283 PolarHBondContact O-N 3.04Å; E253-Y284 HydrophobicContact CG-CE2 4.21Å; E253-Y284 VanDerWaalsContact OE1-CE2 3.3Å; E253-Y284 WeakPolarHBondContact OE1-CE2 3.44Å; E253-Y284 PolarHBondContact OE1-OH 3.35Å
254R98.9Very high98.5Very high103 Ų10340.6 Ų40.639%0.38921%0.213SC..EExtended strand (participates in β ladder)trans-141.9100.2177.5-66.5-171.6-174.3-173.70.3110.8R201 F203 M204 F252 Y281 M282R201-R254 PolarHBondContact O-NH1 2.96Å; F203-R254 HydrophobicContact CD1-CB 3.84Å; F203-R254 HydrophobicContact CE1-CB 4.14Å; F203-R254 HydrophobicContact CE1-CG 4.48Å; F203-R254 HydrophobicContact CG-CB 4.03Å; M204-R254 PolarHBondContact N-O 3.38Å; F252-R254 VanDerWaalsContact C-N 3.29Å; F252-R254 PolarHBondContact O-N 2.99Å; R254-Y281 WeakPolarHBondContact CA-O 3.44Å; R254-M282 HydrophobicContact CG-CG 4.12Å
255V98.9Very high98.1Very high0 Ų043.7 Ų43.70%023%0.228CC..EExtended strand (participates in β ladder)trans-122.3149.8180-64.70000111M204 V206 L244 L247 V248 F252 L280 Y281M204-V255 HydrophobicContact CE-CG1 4.19Å; M204-V255 WeakPolarHBondContact O-CA 3.31Å; V206-V255 HydrophobicContact CG1-CB 4.43Å; V206-V255 HydrophobicContact CG1-CG1 4.14Å; V206-V255 HydrophobicContact CG2-CB 4.18Å; L244-V255 HydrophobicContact CD2-CG2 4.26Å; L247-V255 HydrophobicContact CB-CG1 4.48Å; L247-V255 HydrophobicContact CD1-CG1 4.47Å; V248-V255 HydrophobicContact CG2-CG2 4.3Å; F252-V255 HydrophobicContact CB-CG1 3.54Å; F252-V255 HydrophobicContact CG-CG1 4.45Å; V255-L280 CarbonylContact O-C 3.59Å; V255-L280 VanDerWaalsContact O-CA 3.24Å; V255-L280 WeakPolarHBondContact O-CA 3.16Å; V255-Y281 PolarHBondContact N-O 3.24Å; V255-Y281 PolarHBondContact O-N 3.42Å
256F98.9Very high97.6Very high0 Ų046.4 Ų46.40%026%0.256CS..EExtended strand (participates in β ladder)trans-144.8153.6167.278.8-69.8000111.3R195 M198 V199 F203 M204 E205 V206 I258 E279 L280R195-F256 HydrophobicContact CG-CE2 4.27Å; R195-F256 HydrophobicContact CG-CZ 4.42Å; M198-F256 HydrophobicContact CB-CD1 4.05Å; M198-F256 HydrophobicContact CB-CD2 4.19Å; M198-F256 HydrophobicContact CB-CE1 3.75Å; M198-F256 HydrophobicContact CB-CE2 3.96Å; M198-F256 HydrophobicContact CB-CG 4.23Å; M198-F256 HydrophobicContact CB-CZ 3.72Å; M198-F256 HydrophobicContact CE-CB 4.27Å; M198-F256 HydrophobicContact CE-CG 4.4Å; M198-F256 HydrophobicContact CG-CD2 4.02Å; M198-F256 HydrophobicContact CG-CE2 4.07Å; M198-F256 HydrophobicContact CG-CG 4.29Å; M198-F256 HydrophobicContact CG-CZ 4.35Å; V199-F256 HydrophobicContact CG2-CE1 4.41Å; V199-F256 HydrophobicContact CG2-CZ 4.46Å; F203-F256 HydrophobicContact CB-CD1 3.62Å; F203-F256 HydrophobicContact CB-CE1 4.11Å; F203-F256 HydrophobicContact CB-CG 4.46Å; F203-F256 HydrophobicContact CD1-CB 4.47Å; M204-F256 WeakPolarHBondContact O-CD1 3.45Å; M204-F256 PolarHBondContact O-N 3.46Å; E205-F256 VanDerWaalsContact CA-CE1 3.5Å; E205-F256 VanDerWaalsContact CA-O 3.31Å; E205-F256 WeakPolarHBondContact CA-O 3.38Å; E205-F256 HydrophobicContact CB-CD1 4.24Å; E205-F256 HydrophobicContact CB-CE1 3.57Å; E205-F256 HydrophobicContact CB-CE2 4.28Å; E205-F256 HydrophobicContact CB-CZ 3.58Å; E205-F256 HydrophobicContact CG-CE1 4.29Å; E205-F256 HydrophobicContact CG-CE2 4.11Å; E205-F256 HydrophobicContact CG-CZ 3.9Å; E205-F256 VanDerWaalsContact N-CE1 3.32Å; V206-F256 PolarHBondContact N-O 2.96Å; F256-I258 HydrophobicContact CD2-CD1 4.3Å; F256-I258 HydrophobicContact CD2-CG1 4.08Å; F256-I258 HydrophobicContact CE2-CD1 3.97Å; F256-I258 HydrophobicContact CE2-CG1 4.15Å; F256-E279 CarbonylContact C-O 3.47Å; F256-E279 WeakPolarHBondContact CA-O 3.45Å; F256-E279 WeakPolarHBondContact CB-O 3.25Å; F256-L280 HydrophobicContact CB-CB 3.69Å
257E98.9Very high97.1Very high3 Ų346.7 Ų46.71%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-136.2132.5175.2-179.2176.5167.700109.7V206 T208 R237 L244 N259 M278 E279V206-E257 HydrophobicContact CG2-CB 4.43Å; V206-E257 WeakPolarHBondContact O-CG 3.37Å; T208-E257 WeakPolarHBondContact CB-OE2 3.23Å; T208-E257 WeakPolarHBondContact CG2-OE2 3.28Å; T208-E257 PolarHBondContact N-OE2 3.42Å; T208-E257 VanDerWaalsContact N-OE2 3.15Å; T208-E257 PolarHBondContact OG1-OE2 2.69Å; R237-E257 IonicContact CZ-OE1 2.82Å; R237-E257 IonicContact NH1-OE1 2.91Å; R237-E257 PolarHBondContact NH1-OE1 3.23Å; R237-E257 IonicContact NH1-OE2 3.32Å; R237-E257 PolarHBondContact NH1-OE2 2.82Å; R237-E257 IonicContact NH2-OE1 3.09Å; R237-E257 PolarHBondContact NH2-OE1 2.72Å; L244-E257 HydrophobicContact CD1-CB 4.37Å; L244-E257 HydrophobicContact CD2-CB 4.23Å; E257-N259 HydrophobicContact CG-CB 4.09Å; E257-N259 WeakPolarHBondContact OE1-CB 3.3Å; E257-M278 CarbonylContact O-C 3.6Å; E257-M278 VanDerWaalsContact O-CA 3.31Å; E257-M278 WeakPolarHBondContact O-CA 2.95Å; E257-E279 PolarHBondContact N-O 2.92Å; E257-E279 PolarHBondContact O-N 2.9Å
258I98.9Very high96.7Very high6 Ų646.3 Ų46.33%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-115.692.8171.7-55.6174000109L191 I194 R195 F256 T276 M277 M278 I479L191-I258 HydrophobicContact CD2-CG2 3.85Å; I194-I258 HydrophobicContact CB-CD1 4.33Å; I194-I258 HydrophobicContact CG2-CD1 3.62Å; R195-I258 HydrophobicContact CG-CD1 4.06Å; F256-I258 HydrophobicContact CD2-CD1 4.3Å; F256-I258 HydrophobicContact CD2-CG1 4.08Å; F256-I258 HydrophobicContact CE2-CD1 3.97Å; F256-I258 HydrophobicContact CE2-CG1 4.15Å; I258-T276 HydrophobicContact CG2-CG2 3.86Å; I258-M277 WeakPolarHBondContact CA-O 3.08Å; I258-M278 HydrophobicContact CD1-CG 4.48Å; I258-M278 HydrophobicContact CD1-SD 4.48Å; I258-M278 HydrophobicContact CG1-CB 3.96Å; I258-M278 HydrophobicContact CG1-CG 3.81Å; I258-M278 HydrophobicContact CG1-SD 4.41Å; I258-I479 HydrophobicContact CG2-CG1 4.36Å
259N98.6Very high96.1Very high43 Ų4350.4 Ų50.423%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-147.7-165.7-179-145.7-22.6000112.9M210 E257 T276 M277M210-N259 HydrophobicContact CE-CB 3.47Å; M210-N259 VanDerWaalsContact CE-CB 3.47Å; M210-N259 WeakPolarHBondContact CE-ND2 3.42Å; M210-N259 VanDerWaalsContact CE-OD1 3.25Å; M210-N259 WeakPolarHBondContact CE-OD1 3.43Å; E257-N259 HydrophobicContact CG-CB 4.09Å; E257-N259 WeakPolarHBondContact OE1-CB 3.3Å; N259-T276 WeakPolarHBondContact O-CA 3.39Å; N259-M277 PolarHBondContact N-O 2.83Å; N259-M277 PolarHBondContact O-N 2.8Å; N259-M277 VanDerWaalsContact O-N 3.12Å
260R98.5Very high95.6Very high81 Ų8153.9 Ų53.931%0.30630%0.296SS..EExtended strand (participates in β ladder)trans-87.8145.7-173.4-58.6-47.18675-0.7112.3R237 F262 F275 T276R237-R260 PolarHBondContact NE-O 3.03Å; R237-R260 PolarHBondContact NH2-O 3.41Å; R237-R260 VanDerWaalsContact NH2-O 3.15Å; R260-F262 HydrophobicContact CB-CE1 4.44Å; R260-F262 HydrophobicContact CB-CE2 3.95Å; R260-F262 HydrophobicContact CB-CZ 3.8Å; R260-F275 CarbonylContact C-O 3.58Å; R260-F275 VanDerWaalsContact CA-O 3.26Å; R260-F275 WeakPolarHBondContact CA-O 3.46Å; R260-T276 PolarHBondContact NE-OG1 3.01Å
261N98.5Very high95.3Very high1 Ų154.3 Ų54.31%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-116.7151.9160.1-70.6-8.1000108.5R237 I238 P240 E274 F275 M277R237-N261 PolarHBondContact NE-OD1 2.94Å; I238-N261 WeakPolarHBondContact O-CB 3.48Å; I238-N261 PolarHBondContact O-ND2 2.95Å; P240-N261 WeakPolarHBondContact CD-OD1 3.38Å; N261-E274 WeakPolarHBondContact O-CA 3.43Å; N261-F275 HydrophobicContact CB-CE1 4.04Å; N261-F275 HydrophobicContact CB-CE2 3.96Å; N261-F275 HydrophobicContact CB-CZ 3.65Å; N261-F275 PolarHBondContact N-O 3.33Å; N261-F275 PolarHBondContact O-N 2.92Å; N261-F275 VanDerWaalsContact O-N 3.08Å; N261-M277 WeakPolarHBondContact ND2-CG 3.3Å
262F98.5Very high95.2Very high35 Ų3552.2 Ų52.215%0.15426%0.258CS..EExtended strand (participates in β ladder)trans-126.3116.5-176.2-53.9-93000109.5M210 F223 L236 R237 I238 R260 P273 E274M210-F262 HydrophobicContact SD-CE2 3.83Å; F223-F262 HydrophobicContact CD2-CB 3.82Å; F223-F262 HydrophobicContact CE2-CB 4.31Å; L236-F262 HydrophobicContact CB-CB 3.73Å; L236-F262 HydrophobicContact CB-CD2 3.75Å; L236-F262 HydrophobicContact CB-CG 3.81Å; L236-F262 HydrophobicContact CD1-CB 4.19Å; L236-F262 HydrophobicContact CD1-CD1 3.91Å; L236-F262 HydrophobicContact CD1-CD2 4.34Å; L236-F262 HydrophobicContact CD1-CE1 4.36Å; L236-F262 HydrophobicContact CD1-CG 3.89Å; L236-F262 HydrophobicContact CG-CG 4.47Å; R237-F262 PolarHBondContact O-N 3.32Å; I238-F262 WeakPolarHBondContact CG2-O 3.49Å; R260-F262 HydrophobicContact CB-CE1 4.44Å; R260-F262 HydrophobicContact CB-CE2 3.95Å; R260-F262 HydrophobicContact CB-CZ 3.8Å; F262-P273 CarbonylContact C-O 3.48Å; F262-P273 VanDerWaalsContact CA-O 3.3Å; F262-P273 WeakPolarHBondContact CA-O 3.32Å; F262-E274 HydrophobicContact CD1-CB 3.85Å; F262-E274 HydrophobicContact CE1-CB 3.96Å
263R97Very high95.1Very high65 Ų6548.3 Ų48.325%0.24524%0.243CC..  trans-122.2123.6177.9-65.9-178.2-176179.24.6109.7A220 F223 I238 E265 P273 F275A220-R263 HydrophobicContact CB-CB 4.28Å; A220-R263 HydrophobicContact CB-CG 3.62Å; F223-R263 VanDerWaalsContact CE2-C 3.47Å; F223-R263 WeakPolarHBondContact CE2-O 3.26Å; I238-R263 HydrophobicContact CG2-CG 4.43Å; R263-E265 HydrophobicContact CB-CG 4.16Å; R263-E265 WeakPolarHBondContact CB-OE1 3.34Å; R263-E265 WeakPolarHBondContact CD-OE1 3.27Å; R263-E265 PolarHBondContact O-N 3.45Å; R263-P273 PolarHBondContact N-O 3.45Å; R263-P273 WeakPolarHBondContact O-CA 3.4Å; R263-F275 HydrophobicContact CB-CE1 4.21Å; R263-F275 HydrophobicContact CG-CE1 3.76Å; R263-F275 HydrophobicContact CG-CZ 4.11Å
264N95.8Very high95.1Very high72 Ų7248.5 Ų48.539%0.38524%0.244SC..  trans-81.663.1-176.4-172.39.5000110.7R221 P222 F223R221-N264 HydrophobicContact CB-CB 4.42Å; R221-N264 HydrophobicContact CG-CB 4.21Å; R221-N264 WeakPolarHBondContact O-CB 3.37Å; R221-N264 PolarHBondContact O-N 3.48Å; P222-N264 WeakPolarHBondContact O-CB 3.44Å; P222-N264 PolarHBondContact O-ND2 3.17Å; F223-N264 HydrophobicContact CD1-CB 4.12Å; F223-N264 HydrophobicContact CD2-CB 3.96Å; F223-N264 HydrophobicContact CE1-CB 4.07Å; F223-N264 HydrophobicContact CE2-CB 3.95Å; F223-N264 HydrophobicContact CG-CB 4.07Å; F223-N264 HydrophobicContact CZ-CB 3.99Å
265E90.4Very high95.1Very high65 Ų6545 Ų4530%0.30423%0.231SC..  trans-121174.9-173.8-68.5167.9-156.800110.7A220 R263A220-E265 WeakPolarHBondContact CB-OE1 3.43Å; R263-E265 HydrophobicContact CB-CG 4.16Å; R263-E265 WeakPolarHBondContact CB-OE1 3.34Å; R263-E265 WeakPolarHBondContact CD-OE1 3.27Å; R263-E265 PolarHBondContact O-N 3.45Å
266G87.9Confident95.1Very high58 Ų5845.3 Ų45.360%0.59823%0.233SC*.  trans-67.2146.2176.300000113.3
267I88.8Confident95Very high46 Ų4646.7 Ų46.724%0.23624%0.24CC..  trans-78.6128.4170.1-48.9163.6000108.7P273 R493 A500I267-P273 HydrophobicContact CG1-CG 3.86Å; I267-R493 VanDerWaalsContact CG2-NH2 3.27Å; I267-A500 HydrophobicContact CD1-CB 3.89Å; I267-A500 HydrophobicContact CG1-CB 4.39Å
268S90.2Very high95Very high40 Ų4046.5 Ų46.528%0.2824%0.239SC..  trans-129.4-175.9176.684.20000111.4R270 H271S268-R270 PolarHBondContact O-N 3.22Å; S268-R270 PolarHBondContact OG-N 3.44Å; S268-H271 PolarHBondContact N-O 3.03Å; S268-H271 WeakPolarHBondContact OG-CB 3.42Å; S268-H271 PolarHBondContact OG-N 2.96Å; S268-H271 PolarHBondContact OG-ND1 3.23Å
269V86.5Confident95Very high89 Ų8946.8 Ų46.854%0.53924%0.24SC..SBendtrans-66.7-16.5170.2-60.50000112.4T491 I492V269-T491 CarbonylContact O-C 3.54Å; V269-T491 VanDerWaalsContact O-CA 3.32Å; V269-T491 WeakPolarHBondContact O-CA 3.5Å; V269-T491 PolarHBondContact O-OG1 2.84Å; V269-I492 PolarHBondContact O-N 3.11Å
270R87Confident95Very high110 Ų11044.8 Ų44.842%0.41523%0.229SC..SBendtrans-114.1-20.1-176.1-49.3-174.8-174-175.90.7113.6S268 I492S268-R270 PolarHBondContact O-N 3.22Å; S268-R270 PolarHBondContact OG-N 3.44Å; R270-I492 WeakPolarHBondContact O-CD1 3.31Å
271H93.2Very high95.1Very high73 Ų7341.1 Ų41.134%0.33822%0.216SC..  trans-121.5131.3-171.9-56.8129.8000111.2S268 R481S268-H271 PolarHBondContact N-O 3.03Å; S268-H271 WeakPolarHBondContact OG-CB 3.42Å; S268-H271 PolarHBondContact OG-N 2.96Å; S268-H271 PolarHBondContact OG-ND1 3.23Å; H271-R481 PolarHBondContact NE2-NH2 3.35Å; H271-R481 VanDerWaalsContact NE2-NH2 3.17Å
272N96.4Very high95.1Very high5 Ų542.6 Ų42.63%0.02722%0.223CC..  trans-121.5139.6168.1-166.567.8000107.5E274 I492 I496 A500N272-E274 WeakPolarHBondContact ND2-CG 3.46Å; N272-E274 PolarHBondContact ND2-O 3.15Å; N272-E274 PolarHBondContact O-N 2.87Å; N272-E274 VanDerWaalsContact O-N 3.15Å; N272-I492 HydrophobicContact CB-CD1 4.38Å; N272-I492 HydrophobicContact CB-CG2 4.48Å; N272-I496 HydrophobicContact CB-CD1 3.61Å; N272-A500 PolarHBondContact OD1-N 2.69Å
273P97Very high95.1Very high23 Ų2341.2 Ų41.215%0.14922%0.218CC..SBendtrans-61.2-27.4-173.3-24.334.2000113.9F223 F262 R263 I267 A500F223-P273 HydrophobicContact CE2-CB 4.11Å; F223-P273 HydrophobicContact CZ-CB 3.94Å; F262-P273 CarbonylContact C-O 3.48Å; F262-P273 VanDerWaalsContact CA-O 3.3Å; F262-P273 WeakPolarHBondContact CA-O 3.32Å; R263-P273 PolarHBondContact N-O 3.45Å; R263-P273 WeakPolarHBondContact O-CA 3.4Å; I267-P273 HydrophobicContact CG1-CG 3.86Å; P273-A500 HydrophobicContact CG-CB 4.07Å
274E98Very high95.2Very high101 Ų10145.3 Ų45.347%0.47223%0.234SC..EExtended strand (participates in β ladder)trans-113.3130.1166.957.1-178.7-123.900109N261 F262 N272N261-E274 WeakPolarHBondContact O-CA 3.43Å; F262-E274 HydrophobicContact CD1-CB 3.85Å; F262-E274 HydrophobicContact CE1-CB 3.96Å; N272-E274 WeakPolarHBondContact ND2-CG 3.46Å; N272-E274 PolarHBondContact ND2-O 3.15Å; N272-E274 PolarHBondContact O-N 2.87Å; N272-E274 VanDerWaalsContact O-N 3.15Å
275F98.3Very high95.3Very high30 Ų3042.4 Ų42.413%0.13222%0.22CC..EExtended strand (participates in β ladder)trans-146.8161.7-178.160.5-81.9000110.6R260 N261 R263 M277 D480R260-F275 CarbonylContact C-O 3.58Å; R260-F275 VanDerWaalsContact CA-O 3.26Å; R260-F275 WeakPolarHBondContact CA-O 3.46Å; N261-F275 HydrophobicContact CB-CE1 4.04Å; N261-F275 HydrophobicContact CB-CE2 3.96Å; N261-F275 HydrophobicContact CB-CZ 3.65Å; N261-F275 PolarHBondContact N-O 3.33Å; N261-F275 PolarHBondContact O-N 2.92Å; N261-F275 VanDerWaalsContact O-N 3.08Å; R263-F275 HydrophobicContact CB-CE1 4.21Å; R263-F275 HydrophobicContact CG-CE1 3.76Å; R263-F275 HydrophobicContact CG-CZ 4.11Å; F275-M277 HydrophobicContact CD2-CG 3.79Å; F275-M277 HydrophobicContact CD2-SD 4.22Å; F275-M277 HydrophobicContact CE2-CG 3.41Å; F275-M277 VanDerWaalsContact CE2-CG 3.41Å; F275-M277 HydrophobicContact CE2-SD 3.88Å; F275-D480 WeakPolarHBondContact CA-OD2 3.42Å; F275-D480 WeakPolarHBondContact CB-OD2 3.35Å
276T98.8Very high95.7Very high6 Ų642.3 Ų42.34%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-95.8122.8-179.1-51.90000110.4R187 I258 N259 R260 I479 D480R187-T276 PolarHBondContact NH2-OG1 3.49Å; I258-T276 HydrophobicContact CG2-CG2 3.86Å; N259-T276 WeakPolarHBondContact O-CA 3.39Å; R260-T276 PolarHBondContact NE-OG1 3.01Å; T276-I479 HydrophobicContact CG2-CB 3.75Å; T276-I479 HydrophobicContact CG2-CG1 3.92Å; T276-I479 HydrophobicContact CG2-CG2 3.98Å; T276-I479 WeakPolarHBondContact O-CB 3.32Å; T276-I479 PolarHBondContact O-N 3.27Å; T276-I479 VanDerWaalsContact O-N 3.07Å; T276-D480 PolarHBondContact N-OD2 2.88Å
277M98.6Very high96.2Very high28 Ų2840.4 Ų40.414%0.13820%0.196CC..EExtended strand (participates in β ladder)trans-112.3147.9167.4-72.2-68.4-69.200109.3I258 N259 N261 F275 I477 G478I258-M277 WeakPolarHBondContact CA-O 3.08Å; N259-M277 PolarHBondContact N-O 2.83Å; N259-M277 PolarHBondContact O-N 2.8Å; N259-M277 VanDerWaalsContact O-N 3.12Å; N261-M277 WeakPolarHBondContact ND2-CG 3.3Å; F275-M277 HydrophobicContact CD2-CG 3.79Å; F275-M277 HydrophobicContact CD2-SD 4.22Å; F275-M277 HydrophobicContact CE2-CG 3.41Å; F275-M277 VanDerWaalsContact CE2-CG 3.41Å; F275-M277 HydrophobicContact CE2-SD 3.88Å; M277-I477 WeakPolarHBondContact CA-O 3.36Å; M277-G478 WeakPolarHBondContact SD-CA 3.3Å
278M98.8Very high96.7Very high0 Ų043 Ų430%021%0.207CC..EExtended strand (participates in β ladder)trans-99.5132.4153.9178.3-177.17400107.2I194 M198 E257 I258 L280 L297 G476 I477 I479I194-M278 HydrophobicContact CG2-SD 3.54Å; I194-M278 VanDerWaalsContact CG2-SD 3.54Å; M198-M278 HydrophobicContact CG-SD 4.39Å; E257-M278 CarbonylContact O-C 3.6Å; E257-M278 VanDerWaalsContact O-CA 3.31Å; E257-M278 WeakPolarHBondContact O-CA 2.95Å; I258-M278 HydrophobicContact CD1-CG 4.48Å; I258-M278 HydrophobicContact CD1-SD 4.48Å; I258-M278 HydrophobicContact CG1-CB 3.96Å; I258-M278 HydrophobicContact CG1-CG 3.81Å; I258-M278 HydrophobicContact CG1-SD 4.41Å; M278-L280 HydrophobicContact CE-CD2 3.91Å; M278-L297 HydrophobicContact CE-CD2 3.96Å; M278-G476 CarbonylContact O-C 3.5Å; M278-G476 WeakPolarHBondContact O-CA 3.48Å; M278-I477 HydrophobicContact CB-CB 4.49Å; M278-I477 HydrophobicContact CE-CB 4.09Å; M278-I477 HydrophobicContact CE-CD1 3.35Å; M278-I477 HydrophobicContact CE-CG1 3.69Å; M278-I477 PolarHBondContact N-O 3.12Å; M278-I477 PolarHBondContact O-N 3.44Å; M278-I479 HydrophobicContact CB-CD1 3.85Å; M278-I479 HydrophobicContact CB-CG1 4.1Å
279E98.9Very high97.1Very high11 Ų1144.6 Ų44.65%0.05121%0.213CC..EExtended strand (participates in β ladder)trans-120.8140.6164.1-72.2-173.2-152.100109.3P240 E241 L244 F256 E257 Y281 L475P240-E279 VanDerWaalsContact CD-OE1 3.25Å; P240-E279 WeakPolarHBondContact CD-OE1 3.3Å; P240-E279 HydrophobicContact CG-CB 4.3Å; P240-E279 HydrophobicContact CG-CG 4.26Å; E241-E279 VanDerWaalsContact CA-OE2 3.25Å; E241-E279 WeakPolarHBondContact CA-OE2 3.2Å; E241-E279 WeakPolarHBondContact CB-OE2 3.4Å; E241-E279 PolarHBondContact N-OE2 3.3Å; L244-E279 HydrophobicContact CD1-CB 3.63Å; F256-E279 CarbonylContact C-O 3.47Å; F256-E279 WeakPolarHBondContact CA-O 3.45Å; F256-E279 WeakPolarHBondContact CB-O 3.25Å; E257-E279 PolarHBondContact N-O 2.92Å; E257-E279 PolarHBondContact O-N 2.9Å; E279-Y281 HydrophobicContact CB-CE2 4.33Å; E279-L475 CarbonylContact C-O 3.58Å; E279-L475 VanDerWaalsContact CA-O 3.3Å; E279-L475 WeakPolarHBondContact CA-O 3.16Å
280L98.9Very high97.7Very high1 Ų140.4 Ų40.41%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-137.2151175.570.588.5000110.2M198 F203 V255 F256 M278 L290 L293 G474 L475M198-L280 HydrophobicContact CE-CB 4.07Å; M198-L280 HydrophobicContact CE-CD2 3.52Å; M198-L280 HydrophobicContact CE-CG 4.32Å; M198-L280 HydrophobicContact SD-CD2 4.24Å; F203-L280 HydrophobicContact CD1-CB 4.34Å; F203-L280 HydrophobicContact CE1-CB 4.06Å; F203-L280 HydrophobicContact CE1-CD1 3.77Å; F203-L280 HydrophobicContact CE1-CG 4.4Å; F203-L280 HydrophobicContact CZ-CD1 4Å; V255-L280 CarbonylContact O-C 3.59Å; V255-L280 VanDerWaalsContact O-CA 3.24Å; V255-L280 WeakPolarHBondContact O-CA 3.16Å; F256-L280 HydrophobicContact CB-CB 3.69Å; M278-L280 HydrophobicContact CE-CD2 3.91Å; L280-L290 HydrophobicContact CD1-CD2 3.77Å; L280-L293 HydrophobicContact CD1-CD2 4.01Å; L280-L293 HydrophobicContact CD2-CD2 3.9Å; L280-G474 CarbonylContact O-C 3.51Å; L280-G474 WeakPolarHBondContact O-CA 3.25Å; L280-L475 HydrophobicContact CD1-CB 4.08Å; L280-L475 HydrophobicContact CD2-CB 4.25Å; L280-L475 HydrophobicContact CD2-CD2 3.88Å; L280-L475 HydrophobicContact CD2-CG 4.47Å; L280-L475 HydrophobicContact CG-CB 3.91Å; L280-L475 HydrophobicContact CG-CD2 4.47Å; L280-L475 PolarHBondContact N-O 3.38Å; L280-L475 PolarHBondContact O-N 3.25Å
281Y98.9Very high98.2Very high4 Ų435.3 Ų35.32%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-135.8133.6175.9-68.4-92.6000109.6E241 L244 K245 R254 V255 E279 E429 T472E241-Y281 WeakPolarHBondContact CA-OH 3.41Å; E241-Y281 WeakPolarHBondContact CB-OH 3.37Å; E241-Y281 WeakPolarHBondContact CG-OH 3.24Å; L244-Y281 HydrophobicContact CB-CD2 3.44Å; L244-Y281 VanDerWaalsContact CB-CD2 3.44Å; L244-Y281 HydrophobicContact CB-CE2 3.5Å; L244-Y281 HydrophobicContact CB-CG 4.41Å; L244-Y281 HydrophobicContact CD1-CD2 3.91Å; L244-Y281 HydrophobicContact CD1-CE2 3.62Å; L244-Y281 HydrophobicContact CG-CD2 4.27Å; L244-Y281 HydrophobicContact CG-CE2 4.2Å; K245-Y281 HydrophobicContact CD-CE1 4.19Å; K245-Y281 VanDerWaalsContact CE-CE1 3.47Å; K245-Y281 HydrophobicContact CG-CD1 3.91Å; K245-Y281 HydrophobicContact CG-CE1 3.65Å; R254-Y281 WeakPolarHBondContact CA-O 3.44Å; V255-Y281 PolarHBondContact N-O 3.24Å; V255-Y281 PolarHBondContact O-N 3.42Å; E279-Y281 HydrophobicContact CB-CE2 4.33Å; Y281-E429 HydrophobicContact CD1-CG 4.19Å; Y281-E429 HydrophobicContact CE1-CG 4.21Å; Y281-E429 VanDerWaalsContact CE1-OE1 3.27Å; Y281-E429 WeakPolarHBondContact CE1-OE1 3.48Å; Y281-T472 HydrophobicContact CD1-CG2 4.05Å
282M98.8Very high98.5Very high33 Ų3338.6 Ų38.616%0.16318%0.184CC..EExtended strand (participates in β ladder)trans-129113179.7178.4163.2161.900109.8F203 E253 R254 A285 T472 A473F203-M282 HydrophobicContact CE1-CB 4.13Å; F203-M282 HydrophobicContact CE2-SD 4.4Å; F203-M282 HydrophobicContact CZ-CB 3.97Å; F203-M282 HydrophobicContact CZ-CG 4.41Å; F203-M282 HydrophobicContact CZ-SD 3.95Å; E253-M282 CarbonylContact O-C 3.58Å; E253-M282 WeakPolarHBondContact O-CA 3.48Å; R254-M282 HydrophobicContact CG-CG 4.12Å; M282-A285 HydrophobicContact CB-CB 4.21Å; M282-A285 HydrophobicContact CE-CB 4.14Å; M282-A285 HydrophobicContact CG-CB 3.8Å; M282-A285 HydrophobicContact SD-CB 4.28Å; M282-T472 WeakPolarHBondContact O-CA 3.35Å; M282-A473 PolarHBondContact N-O 3.47Å; M282-A473 PolarHBondContact O-N 3.47Å
283A98.8Very high98.6Very high5 Ų539.4 Ų39.44%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-66.7150.7172.100000110.8V248 E253 A285 P470 P471V248-A283 HydrophobicContact CG1-CB 4.03Å; E253-A283 HydrophobicContact CB-CB 3.96Å; E253-A283 HydrophobicContact CG-CB 4.2Å; E253-A283 PolarHBondContact O-N 3.04Å; A283-A285 VanDerWaalsContact C-N 3.26Å; A283-A285 PolarHBondContact O-N 3.45Å; A283-P470 HydrophobicContact CB-CB 4.41Å; A283-P470 HydrophobicContact CB-CG 3.95Å; A283-P471 CarbonylContact C-O 3.44Å
284Y98.7Very high98.7Very high152 Ų15238.4 Ų38.460%0.59618%0.181SC*.THydrogen-bonded Turntrans56.836-176.5-36.1-71.6000113.9E253 P470 P471E253-Y284 HydrophobicContact CG-CE2 4.21Å; E253-Y284 VanDerWaalsContact OE1-CE2 3.3Å; E253-Y284 WeakPolarHBondContact OE1-CE2 3.44Å; E253-Y284 PolarHBondContact OE1-OH 3.35Å; Y284-P470 HydrophobicContact CD1-CB 4.43Å; Y284-P470 HydrophobicContact CE1-CB 3.84Å; Y284-P471 WeakPolarHBondContact CA-O 3.36Å; Y284-P471 PolarHBondContact N-O 3.36Å
285A98.8Very high98.7Very high10 Ų1034.9 Ų34.98%0.08317%0.165CC..  trans-129160173.800000110M282 A283 D289 T472 A473M282-A285 HydrophobicContact CB-CB 4.21Å; M282-A285 HydrophobicContact CE-CB 4.14Å; M282-A285 HydrophobicContact CG-CB 3.8Å; M282-A285 HydrophobicContact SD-CB 4.28Å; A283-A285 VanDerWaalsContact C-N 3.26Å; A283-A285 PolarHBondContact O-N 3.45Å; A285-D289 VanDerWaalsContact CA-OD2 3.24Å; A285-D289 WeakPolarHBondContact CA-OD2 3.45Å; A285-D289 HydrophobicContact CB-CB 3.94Å; A285-D289 WeakPolarHBondContact CB-OD2 3.36Å; A285-T472 CarbonylContact O-C 3.51Å; A285-A473 HydrophobicContact CB-CB 4.04Å; A285-A473 PolarHBondContact O-N 2.67Å
286D98.7Very high98.7Very high63 Ų6335 Ų3534%0.33717%0.17SC..  trans-118.7-179.1170.872.419000111.8H288 D289 L290 A473D286-H288 PolarHBondContact O-N 3.02Å; D286-H288 WeakPolarHBondContact OD1-CA 3.15Å; D286-H288 WeakPolarHBondContact OD1-CB 3.47Å; D286-H288 IonicContact OD1-CD2 3.59Å; D286-H288 IonicContact OD1-CG 2.72Å; D286-H288 PolarHBondContact OD1-N 3.15Å; D286-H288 IonicContact OD2-CD2 2.76Å; D286-D289 PolarHBondContact N-OD2 3.46Å; D286-D289 WeakPolarHBondContact O-CB 3.4Å; D286-D289 PolarHBondContact O-N 2.91Å; D286-D289 PolarHBondContact OD1-N 3.19Å; D286-L290 PolarHBondContact O-N 2.88Å; D286-A473 VanDerWaalsContact C-CB 3.44Å; D286-A473 VanDerWaalsContact O-CB 3.28Å; D286-A473 WeakPolarHBondContact O-CB 3.33Å
287Y98.4Very high98.7Very high18 Ų1834.8 Ų34.87%0.07117%0.168CC..Hα-helixtrans-62.9-21.9179.584.8-78.9000114.1L290 I291 T391 D412 F414 S428Y287-L290 PolarHBondContact O-N 2.74Å; Y287-I291 HydrophobicContact CD2-CD1 3.84Å; Y287-I291 HydrophobicContact CE2-CD1 4.04Å; Y287-I291 WeakPolarHBondContact O-CG1 3.28Å; Y287-I291 PolarHBondContact O-N 3.32Å; Y287-T391 HydrophobicContact CE2-CG2 3.98Å; Y287-D412 WeakPolarHBondContact CB-O 3.48Å; Y287-D412 HydrophobicContact CD1-CB 3.69Å; Y287-D412 HydrophobicContact CE1-CB 3.9Å; Y287-D412 HydrophobicContact CG-CB 4.49Å; Y287-F414 AromaticContact CD2-CD1 3.96Å; Y287-F414 HydrophobicContact CD2-CD1 3.96Å; Y287-F414 HydrophobicContact CG-CD1 4.5Å; Y287-S428 PolarHBondContact N-OG 2.93Å; Y287-S428 VanDerWaalsContact N-OG 3.14Å
288H98.5Very high98.7Very high100 Ų10033.5 Ų33.546%0.46316%0.162SC..Hα-helixtrans-70.6-40.4174.7-62.2-61.3000111.5D286 L290 I291 E292D286-H288 PolarHBondContact O-N 3.02Å; D286-H288 WeakPolarHBondContact OD1-CA 3.15Å; D286-H288 WeakPolarHBondContact OD1-CB 3.47Å; D286-H288 IonicContact OD1-CD2 3.59Å; D286-H288 IonicContact OD1-CG 2.72Å; D286-H288 PolarHBondContact OD1-N 3.15Å; D286-H288 IonicContact OD2-CD2 2.76Å; H288-L290 PolarHBondContact O-N 3.4Å; H288-I291 WeakPolarHBondContact O-CB 3.45Å; H288-I291 PolarHBondContact O-N 3.28Å; H288-E292 PolarHBondContact O-N 2.9Å; H288-E292 VanDerWaalsContact O-N 3.15Å
289D98.7Very high98.7Very high74 Ų7436.9 Ų36.940%0.39618%0.175SC..Hα-helixtrans-59.3-40.2173.2-64.9-62000110.9A285 D286 E292 L293A285-D289 VanDerWaalsContact CA-OD2 3.24Å; A285-D289 WeakPolarHBondContact CA-OD2 3.45Å; A285-D289 HydrophobicContact CB-CB 3.94Å; A285-D289 WeakPolarHBondContact CB-OD2 3.36Å; D286-D289 PolarHBondContact N-OD2 3.46Å; D286-D289 WeakPolarHBondContact O-CB 3.4Å; D286-D289 PolarHBondContact O-N 2.91Å; D286-D289 PolarHBondContact OD1-N 3.19Å; D289-E292 PolarHBondContact O-N 2.92Å; D289-L293 WeakPolarHBondContact O-CB 3.34Å; D289-L293 PolarHBondContact O-N 3.08Å
290L98.6Very high98.6Very high2 Ų238.7 Ų38.71%0.0119%0.186CC..Hα-helixtrans-68.1-36.5176.8-67.3-177.9000113.4L280 D286 Y287 H288 E292 L293 T294 F414 A473 G474 L475L280-L290 HydrophobicContact CD1-CD2 3.77Å; D286-L290 PolarHBondContact O-N 2.88Å; Y287-L290 PolarHBondContact O-N 2.74Å; H288-L290 PolarHBondContact O-N 3.4Å; L290-E292 VanDerWaalsContact C-N 3.31Å; L290-L293 HydrophobicContact CD2-CD2 4.33Å; L290-L293 PolarHBondContact O-N 3.08Å; L290-T294 VanDerWaalsContact O-CB 3.27Å; L290-T294 WeakPolarHBondContact O-CB 3.3Å; L290-T294 PolarHBondContact O-N 2.97Å; L290-T294 PolarHBondContact O-OG1 3.07Å; L290-F414 HydrophobicContact CB-CE1 3.73Å; L290-F414 HydrophobicContact CB-CZ 3.93Å; L290-F414 HydrophobicContact CD1-CE1 4.25Å; L290-A473 HydrophobicContact CD1-CB 3.47Å; L290-A473 VanDerWaalsContact CD1-CB 3.47Å; L290-A473 HydrophobicContact CD2-CB 4.14Å; L290-A473 HydrophobicContact CG-CB 3.55Å; L290-G474 VanDerWaalsContact CD1-C 3.41Å; L290-G474 WeakPolarHBondContact CD1-O 3.48Å; L290-L475 HydrophobicContact CD1-CB 4.08Å; L290-L475 HydrophobicContact CD2-CB 4.12Å
291I98.7Very high98.6Very high2 Ų238.6 Ų38.61%0.0119%0.186CC..Hα-helixtrans-59-46.4173.5-77.7170.2000109.7Y287 H288 T294 E295 K326 F389 T391 F414Y287-I291 HydrophobicContact CD2-CD1 3.84Å; Y287-I291 HydrophobicContact CE2-CD1 4.04Å; Y287-I291 WeakPolarHBondContact O-CG1 3.28Å; Y287-I291 PolarHBondContact O-N 3.32Å; H288-I291 WeakPolarHBondContact O-CB 3.45Å; H288-I291 PolarHBondContact O-N 3.28Å; I291-T294 PolarHBondContact O-N 3.22Å; I291-E295 PolarHBondContact O-N 2.75Å; I291-K326 HydrophobicContact CG2-CD 4.22Å; I291-F389 HydrophobicContact CB-CE1 4.49Å; I291-F389 HydrophobicContact CB-CZ 4.42Å; I291-F389 HydrophobicContact CD1-CB 4.47Å; I291-F389 HydrophobicContact CD1-CG 4.46Å; I291-F389 HydrophobicContact CG1-CD1 3.9Å; I291-F389 HydrophobicContact CG1-CD2 4.49Å; I291-F389 HydrophobicContact CG1-CE1 4.12Å; I291-F389 HydrophobicContact CG1-CG 4.09Å; I291-F389 HydrophobicContact CG2-CD2 3.81Å; I291-F389 HydrophobicContact CG2-CE2 3.7Å; I291-F389 HydrophobicContact CG2-CG 4.24Å; I291-F389 HydrophobicContact CG2-CZ 4.07Å; I291-T391 HydrophobicContact CD1-CG2 4.11Å; I291-F414 HydrophobicContact CD1-CB 4.44Å; I291-F414 HydrophobicContact CD1-CD1 4.19Å; I291-F414 HydrophobicContact CD1-CG 4.29Å; I291-F414 HydrophobicContact CG1-CD1 3.85Å; I291-F414 HydrophobicContact CG1-CD2 4.35Å; I291-F414 HydrophobicContact CG1-CE1 3.93Å; I291-F414 HydrophobicContact CG1-CE2 4.42Å; I291-F414 HydrophobicContact CG1-CG 4.04Å; I291-F414 HydrophobicContact CG1-CZ 4.19Å
292E98.5Very high98.6Very high143 Ų14338.4 Ų38.467%0.66819%0.185SC*.Hα-helixtrans-65.2-44.1177.5-173.3176.4169.300112H288 D289 L290 T294 E295 S296H288-E292 PolarHBondContact O-N 2.9Å; H288-E292 VanDerWaalsContact O-N 3.15Å; D289-E292 PolarHBondContact O-N 2.92Å; L290-E292 VanDerWaalsContact C-N 3.31Å; E292-T294 VanDerWaalsContact C-N 3.32Å; E292-T294 PolarHBondContact O-N 2.89Å; E292-E295 PolarHBondContact O-N 2.68Å; E292-S296 WeakPolarHBondContact O-CB 3.32Å; E292-S296 PolarHBondContact O-N 3.14Å
293L98.7Very high98.5Very high22 Ų2241.5 Ų41.512%0.11520%0.199CC..Hα-helixtrans-58.9-44.7176.5-176.868.3000111.5F197 F203 L280 D289 L290 S296 L297F197-L293 HydrophobicContact CE1-CD1 3.78Å; F197-L293 HydrophobicContact CZ-CD1 4.25Å; F203-L293 HydrophobicContact CE2-CD2 4.38Å; F203-L293 HydrophobicContact CZ-CD2 4.13Å; L280-L293 HydrophobicContact CD1-CD2 4.01Å; L280-L293 HydrophobicContact CD2-CD2 3.9Å; D289-L293 WeakPolarHBondContact O-CB 3.34Å; D289-L293 PolarHBondContact O-N 3.08Å; L290-L293 HydrophobicContact CD2-CD2 4.33Å; L290-L293 PolarHBondContact O-N 3.08Å; L293-S296 PolarHBondContact O-N 3.43Å; L293-L297 WeakPolarHBondContact O-CB 3.27Å; L293-L297 PolarHBondContact O-N 2.84Å
294T98.7Very high98.4Very high1 Ų146.3 Ų46.31%0.00622%0.221CC..Hα-helixtrans-65.2-45.8-179.7-56.50000110.9L290 I291 E292 S296 L297 F298 F389 F416 L475L290-T294 VanDerWaalsContact O-CB 3.27Å; L290-T294 WeakPolarHBondContact O-CB 3.3Å; L290-T294 PolarHBondContact O-N 2.97Å; L290-T294 PolarHBondContact O-OG1 3.07Å; I291-T294 PolarHBondContact O-N 3.22Å; E292-T294 VanDerWaalsContact C-N 3.32Å; E292-T294 PolarHBondContact O-N 2.89Å; T294-S296 VanDerWaalsContact C-N 3.35Å; T294-S296 PolarHBondContact O-N 3.11Å; T294-L297 PolarHBondContact O-N 3.02Å; T294-F298 HydrophobicContact CG2-CD2 4Å; T294-F298 HydrophobicContact CG2-CE2 4Å; T294-F298 WeakPolarHBondContact O-CD2 3.34Å; T294-F298 PolarHBondContact O-N 2.93Å; T294-F389 HydrophobicContact CG2-CE1 3.95Å; T294-F389 HydrophobicContact CG2-CZ 3.94Å; T294-F416 HydrophobicContact CG2-CD1 3.88Å; T294-F416 HydrophobicContact CG2-CE1 4.11Å; T294-F416 HydrophobicContact CG2-CG 4.38Å; T294-L475 WeakPolarHBondContact OG1-CD2 3.34Å
295E98.3Very high98.3Very high27 Ų2740.5 Ų40.513%0.12620%0.201CC..Hα-helixtrans-59.1-47175.5-175.4178.8135.500111.3I291 E292 L297 R299 F324I291-E295 PolarHBondContact O-N 2.75Å; E292-E295 PolarHBondContact O-N 2.68Å; E295-L297 VanDerWaalsContact C-N 3.35Å; E295-L297 PolarHBondContact O-N 3.11Å; E295-R299 VanDerWaalsContact O-CB 3.31Å; E295-R299 WeakPolarHBondContact O-CB 3.41Å; E295-R299 PolarHBondContact O-N 2.81Å; E295-R299 VanDerWaalsContact O-N 3.09Å; E295-R299 IonicContact OE1-CZ 3.48Å; E295-R299 VanDerWaalsContact OE1-CZ 3.22Å; E295-R299 IonicContact OE1-NH1 3.21Å; E295-R299 PolarHBondContact OE1-NH1 2.96Å; E295-R299 IonicContact OE1-NH2 2.72Å; E295-R299 PolarHBondContact OE1-NH2 3.02Å; E295-F324 HydrophobicContact CB-CD2 4.06Å; E295-F324 HydrophobicContact CB-CE2 4.11Å; E295-F324 HydrophobicContact CB-CG 4.38Å; E295-F324 HydrophobicContact CB-CZ 4.44Å; E295-F324 HydrophobicContact CG-CD1 3.84Å; E295-F324 HydrophobicContact CG-CD2 3.99Å; E295-F324 HydrophobicContact CG-CE1 3.85Å; E295-F324 HydrophobicContact CG-CE2 4.04Å; E295-F324 HydrophobicContact CG-CG 3.87Å; E295-F324 HydrophobicContact CG-CZ 3.94Å; E295-F324 PolarHBondContact OE2-N 3.42Å
296S98.5Very high98.2Very high33 Ų3342.8 Ų42.823%0.23121%0.212CC..Hα-helixtrans-60.6-43.2177.1-176.90000111.7R201 E292 L293 T294 T300R201-S296 PolarHBondContact NH2-OG 3.17Å; E292-S296 WeakPolarHBondContact O-CB 3.32Å; E292-S296 PolarHBondContact O-N 3.14Å; L293-S296 PolarHBondContact O-N 3.43Å; T294-S296 VanDerWaalsContact C-N 3.35Å; T294-S296 PolarHBondContact O-N 3.11Å; S296-T300 VanDerWaalsContact O-CB 3.29Å; S296-T300 WeakPolarHBondContact O-CB 3.22Å; S296-T300 PolarHBondContact O-N 2.9Å; S296-T300 PolarHBondContact O-OG1 3.46Å
297L98.7Very high98.1Very high2 Ų242.2 Ų42.21%0.0122%0.221CC..Hα-helixtrans-58.8-56.7178.8177.766.1000111.2I194 F197 M278 L293 T294 E295 R299 T300 L301 I477 M482I194-L297 HydrophobicContact CG1-CD1 4.39Å; F197-L297 HydrophobicContact CB-CD1 4.14Å; F197-L297 HydrophobicContact CD1-CB 4.43Å; F197-L297 HydrophobicContact CD1-CD1 3.51Å; F197-L297 HydrophobicContact CD2-CD1 4.23Å; F197-L297 HydrophobicContact CE1-CB 3.89Å; F197-L297 HydrophobicContact CE1-CD1 3.86Å; F197-L297 HydrophobicContact CE1-CG 4.46Å; F197-L297 HydrophobicContact CE2-CB 4.45Å; F197-L297 HydrophobicContact CG-CD1 3.71Å; F197-L297 HydrophobicContact CZ-CB 3.9Å; F197-L297 HydrophobicContact CZ-CD1 4.36Å; M278-L297 HydrophobicContact CE-CD2 3.96Å; L293-L297 WeakPolarHBondContact O-CB 3.27Å; L293-L297 PolarHBondContact O-N 2.84Å; T294-L297 PolarHBondContact O-N 3.02Å; E295-L297 VanDerWaalsContact C-N 3.35Å; E295-L297 PolarHBondContact O-N 3.11Å; L297-R299 PolarHBondContact O-N 3.23Å; L297-T300 PolarHBondContact O-N 2.64Å; L297-L301 HydrophobicContact CD1-CD1 3.75Å; L297-L301 HydrophobicContact CD1-CD2 4.45Å; L297-L301 HydrophobicContact CD1-CG 4.01Å; L297-L301 HydrophobicContact CG-CD1 3.87Å; L297-L301 HydrophobicContact CG-CG 4.42Å; L297-L301 WeakPolarHBondContact O-CB 3.22Å; L297-L301 WeakPolarHBondContact O-CG 3.47Å; L297-L301 PolarHBondContact O-N 3.03Å; L297-I477 HydrophobicContact CD2-CD1 3.58Å; L297-M482 HydrophobicContact CD2-CE 4.45Å
298F98.7Very high98.1Very high0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-61.8-43.2-177.1-85.6-102000112.3T294 A302 F320 F324 F416 I418 I423 I477 M482 F486T294-F298 HydrophobicContact CG2-CD2 4Å; T294-F298 HydrophobicContact CG2-CE2 4Å; T294-F298 WeakPolarHBondContact O-CD2 3.34Å; T294-F298 PolarHBondContact O-N 2.93Å; F298-A302 WeakPolarHBondContact O-CB 3.4Å; F298-A302 PolarHBondContact O-N 2.95Å; F298-F320 HydrophobicContact CB-CD1 4.16Å; F298-F320 HydrophobicContact CB-CE1 4.26Å; F298-F320 AromaticContact CD1-CE1 3.92Å; F298-F320 HydrophobicContact CD1-CE1 3.92Å; F298-F320 HydrophobicContact CD1-CZ 4.13Å; F298-F320 HydrophobicContact CG-CE1 4.49Å; F298-F324 HydrophobicContact CB-CE2 4.15Å; F298-F324 HydrophobicContact CB-CZ 3.92Å; F298-F416 HydrophobicContact CD1-CE1 4.2Å; F298-F416 AromaticContact CD2-CE1 3.85Å; F298-F416 HydrophobicContact CD2-CE1 3.85Å; F298-F416 AromaticContact CE1-CE1 3.97Å; F298-F416 HydrophobicContact CE1-CE1 3.97Å; F298-F416 HydrophobicContact CE2-CD1 4.11Å; F298-F416 AromaticContact CE2-CE1 3.58Å; F298-F416 HydrophobicContact CE2-CE1 3.58Å; F298-F416 HydrophobicContact CG-CE1 4.15Å; F298-F416 HydrophobicContact CZ-CD1 4.25Å; F298-F416 AromaticContact CZ-CE1 3.66Å; F298-F416 HydrophobicContact CZ-CE1 3.66Å; F298-I418 HydrophobicContact CD1-CD1 4.02Å; F298-I418 HydrophobicContact CE1-CD1 3.75Å; F298-I418 HydrophobicContact CZ-CD1 4.47Å; F298-I423 HydrophobicContact CE1-CG2 3.99Å; F298-I423 HydrophobicContact CZ-CG2 3.56Å; F298-I477 HydrophobicContact CE2-CD1 4.14Å; F298-I477 HydrophobicContact CE2-CG2 4.49Å; F298-I477 HydrophobicContact CZ-CG2 4.34Å; F298-M482 HydrophobicContact CD1-CE 4.47Å; F298-M482 HydrophobicContact CD2-CE 4.23Å; F298-M482 HydrophobicContact CE1-CE 3.8Å; F298-M482 HydrophobicContact CE1-CG 4Å; F298-M482 HydrophobicContact CE2-CE 3.53Å; F298-M482 HydrophobicContact CZ-CE 3.27Å; F298-M482 HydrophobicContact CZ-CG 4.25Å; F298-F486 HydrophobicContact CD1-CE2 4.01Å; F298-F486 HydrophobicContact CD1-CZ 4.39Å; F298-F486 HydrophobicContact CE1-CE2 4.32Å
299R98.3Very high98.1Very high71 Ų7140.7 Ų40.727%0.26822%0.221SC..Hα-helixtrans-61.3-46.6177.5-178178.3-65.5137.11.6111.8E295 L297 Q303 T309 F320 K322E295-R299 VanDerWaalsContact O-CB 3.31Å; E295-R299 WeakPolarHBondContact O-CB 3.41Å; E295-R299 PolarHBondContact O-N 2.81Å; E295-R299 VanDerWaalsContact O-N 3.09Å; E295-R299 IonicContact OE1-CZ 3.48Å; E295-R299 VanDerWaalsContact OE1-CZ 3.22Å; E295-R299 IonicContact OE1-NH1 3.21Å; E295-R299 PolarHBondContact OE1-NH1 2.96Å; E295-R299 IonicContact OE1-NH2 2.72Å; E295-R299 PolarHBondContact OE1-NH2 3.02Å; L297-R299 PolarHBondContact O-N 3.23Å; R299-Q303 WeakPolarHBondContact O-CB 3.42Å; R299-Q303 PolarHBondContact O-N 2.91Å; R299-Q303 VanDerWaalsContact O-N 3.14Å; R299-T309 HydrophobicContact CG-CG2 4.2Å; R299-F320 WeakPolarHBondContact CG-O 3.41Å; R299-F320 PolarHBondContact NE-O 3.22Å; R299-K322 PolarHBondContact NH2-O 3.16Å
300T98.4Very high98.1Very high49 Ų4943 Ų4330%0.30123%0.227SC..Hα-helixtrans-64.9-47.6179.6-660000111.2F197 S296 L297 A302 Q303 E304F197-T300 HydrophobicContact CD2-CG2 4Å; F197-T300 HydrophobicContact CE2-CG2 4.41Å; S296-T300 VanDerWaalsContact O-CB 3.29Å; S296-T300 WeakPolarHBondContact O-CB 3.22Å; S296-T300 PolarHBondContact O-N 2.9Å; S296-T300 PolarHBondContact O-OG1 3.46Å; L297-T300 PolarHBondContact O-N 2.64Å; T300-A302 VanDerWaalsContact C-N 3.34Å; T300-A302 PolarHBondContact O-N 2.87Å; T300-Q303 PolarHBondContact O-N 3.37Å; T300-E304 VanDerWaalsContact O-CB 3.31Å; T300-E304 WeakPolarHBondContact O-CB 3.36Å; T300-E304 PolarHBondContact O-N 3.16Å
301L98.4Very high98Very high0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-60.8-42.8179.6-66.3174.8000112.1I190 A193 I194 L297 E304 V305 M482 F486I190-L301 HydrophobicContact CG2-CD1 4.45Å; A193-L301 HydrophobicContact CB-CD2 3.45Å; A193-L301 VanDerWaalsContact CB-CD2 3.45Å; I194-L301 HydrophobicContact CD1-CD1 4.24Å; I194-L301 HydrophobicContact CG1-CD1 3.58Å; I194-L301 HydrophobicContact CG1-CD2 3.9Å; I194-L301 HydrophobicContact CG1-CG 4.37Å; L297-L301 HydrophobicContact CD1-CD1 3.75Å; L297-L301 HydrophobicContact CD1-CD2 4.45Å; L297-L301 HydrophobicContact CD1-CG 4.01Å; L297-L301 HydrophobicContact CG-CD1 3.87Å; L297-L301 HydrophobicContact CG-CG 4.42Å; L297-L301 WeakPolarHBondContact O-CB 3.22Å; L297-L301 WeakPolarHBondContact O-CG 3.47Å; L297-L301 PolarHBondContact O-N 3.03Å; L301-E304 PolarHBondContact O-N 3.33Å; L301-V305 WeakPolarHBondContact O-CB 3.3Å; L301-V305 WeakPolarHBondContact O-CG2 3.37Å; L301-V305 PolarHBondContact O-N 3.15Å; L301-M482 HydrophobicContact CD1-CE 4.09Å; L301-M482 HydrophobicContact CD1-SD 3.83Å; L301-F486 HydrophobicContact CB-CE1 3.77Å; L301-F486 HydrophobicContact CB-CZ 4.01Å
302A98Very high98Very high0 Ų046.8 Ų46.80%025%0.251CS..Hα-helixtrans-62-47.4179.200000110.4F298 T300 L306 G307 T308 V311 F320 F486F298-A302 WeakPolarHBondContact O-CB 3.4Å; F298-A302 PolarHBondContact O-N 2.95Å; T300-A302 VanDerWaalsContact C-N 3.34Å; T300-A302 PolarHBondContact O-N 2.87Å; A302-L306 WeakPolarHBondContact O-CA 3.35Å; A302-L306 VanDerWaalsContact O-CB 3.25Å; A302-L306 WeakPolarHBondContact O-CB 3.42Å; A302-L306 PolarHBondContact O-N 3.35Å; A302-G307 PolarHBondContact O-N 2.98Å; A302-T308 CarbonylContact C-O 3.54Å; A302-V311 HydrophobicContact CB-CG2 4.21Å; A302-F320 HydrophobicContact CB-CB 4.44Å; A302-F320 HydrophobicContact CB-CD2 3.75Å; A302-F320 HydrophobicContact CB-CE2 4.48Å; A302-F320 HydrophobicContact CB-CG 4.41Å; A302-F486 HydrophobicContact CB-CE1 4.03Å; A302-F486 HydrophobicContact CB-CZ 4.06Å
303Q97.9Very high97.9Very high97 Ų9740.5 Ų40.545%0.45322%0.221SC..Hα-helixtrans-65.3-42.2179.4-173.755.56500112.9R299 T300 G307 T309R299-Q303 WeakPolarHBondContact O-CB 3.42Å; R299-Q303 PolarHBondContact O-N 2.91Å; R299-Q303 VanDerWaalsContact O-N 3.14Å; T300-Q303 PolarHBondContact O-N 3.37Å; Q303-G307 PolarHBondContact NE2-O 3.2Å; Q303-G307 WeakPolarHBondContact O-CA 3.31Å; Q303-G307 PolarHBondContact O-N 3.39Å; Q303-G307 VanDerWaalsContact O-N 3.14Å; Q303-T309 HydrophobicContact CB-CG2 4.25Å
304E97.1Very high97.8Very high107 Ų10741.2 Ų41.250%0.523%0.234SC..Hα-helixtrans-75.2-42.9-175.7-173.6174.9166.200112.6T300 L301T300-E304 VanDerWaalsContact O-CB 3.31Å; T300-E304 WeakPolarHBondContact O-CB 3.36Å; T300-E304 PolarHBondContact O-N 3.16Å; L301-E304 PolarHBondContact O-N 3.33Å
305V96.7Very high97.6Very high30 Ų3049.6 Ų49.618%0.18227%0.273CS..Hα-helixtrans-91-38.2-174-1760000112.4V186 K189 I190 A193 L301V186-V305 HydrophobicContact CG1-CG1 4.09Å; K189-V305 HydrophobicContact CB-CG1 3.9Å; K189-V305 HydrophobicContact CB-CG2 4.45Å; K189-V305 HydrophobicContact CD-CG1 4.48Å; I190-V305 HydrophobicContact CG1-CB 4.33Å; I190-V305 HydrophobicContact CG1-CG1 3.99Å; I190-V305 HydrophobicContact CG1-CG2 4.14Å; A193-V305 HydrophobicContact CB-CG2 4.1Å; L301-V305 WeakPolarHBondContact O-CB 3.3Å; L301-V305 WeakPolarHBondContact O-CG2 3.37Å; L301-V305 PolarHBondContact O-N 3.15Å
306L95.8Very high97.5Very high57 Ų5751.4 Ų51.430%0.29828%0.281SS..Hα-helixtrans-100.7-9.6-176.8-50.6179.4000112.8V186 A302 T308 V311 F486V186-L306 HydrophobicContact CG1-CD2 4.33Å; A302-L306 WeakPolarHBondContact O-CA 3.35Å; A302-L306 VanDerWaalsContact O-CB 3.25Å; A302-L306 WeakPolarHBondContact O-CB 3.42Å; A302-L306 PolarHBondContact O-N 3.35Å; L306-T308 HydrophobicContact CB-CG2 4.4Å; L306-T308 PolarHBondContact O-N 2.79Å; L306-V311 HydrophobicContact CD1-CB 4.48Å; L306-V311 HydrophobicContact CD1-CG1 4.09Å; L306-V311 HydrophobicContact CD1-CG2 3.58Å; L306-F486 HydrophobicContact CD1-CB 4.22Å; L306-F486 HydrophobicContact CD1-CD1 3.69Å; L306-F486 HydrophobicContact CD1-CE1 4.33Å; L306-F486 HydrophobicContact CD1-CG 4.1Å; L306-F486 HydrophobicContact CG-CD1 4.08Å
307G97.3Very high97.5Very high52 Ų5253.3 Ų53.354%0.53629%0.291SS..SBendtrans74.42.7-178.100000114.2A302 Q303A302-G307 PolarHBondContact O-N 2.98Å; Q303-G307 PolarHBondContact NE2-O 3.2Å; Q303-G307 WeakPolarHBondContact O-CA 3.31Å; Q303-G307 PolarHBondContact O-N 3.39Å; Q303-G307 VanDerWaalsContact O-N 3.14Å
308T97.9Very high97.5Very high57 Ų5753.2 Ų53.235%0.3529%0.291SS..SBendtrans-151.7148.4-176.2179.30000110.7A302 L306 K310A302-T308 CarbonylContact C-O 3.54Å; L306-T308 HydrophobicContact CB-CG2 4.4Å; L306-T308 PolarHBondContact O-N 2.79Å; T308-K310 VanDerWaalsContact C-N 3.32Å; T308-K310 VanDerWaalsContact CG2-O 3.3Å; T308-K310 WeakPolarHBondContact CG2-O 3.44Å; T308-K310 PolarHBondContact OG1-N 2.87Å; T308-K310 VanDerWaalsContact OG1-N 3.08Å
309T97.8Very high97.4Very high29 Ų2954.4 Ų54.418%0.17830%0.297CS..SBendtrans-85.1-6.2170.460.90000113.2R299 Q303 F320R299-T309 HydrophobicContact CG-CG2 4.2Å; Q303-T309 HydrophobicContact CB-CG2 4.25Å; T309-F320 WeakPolarHBondContact O-CB 3.28Å; T309-F320 PolarHBondContact O-N 2.89Å
310K98.1Very high97.3Very high121 Ų12151 Ų5153%0.52628%0.284SS..EExtended strand (participates in β ladder)trans-98108.7177.1-66.2-176.4-179.5-1790110.1T308 V317 F318T308-K310 VanDerWaalsContact C-N 3.32Å; T308-K310 VanDerWaalsContact CG2-O 3.3Å; T308-K310 WeakPolarHBondContact CG2-O 3.44Å; T308-K310 PolarHBondContact OG1-N 2.87Å; T308-K310 VanDerWaalsContact OG1-N 3.08Å; K310-V317 HydrophobicContact CB-CG1 4.11Å; K310-F318 CarbonylContact C-O 3.6Å; K310-F318 WeakPolarHBondContact CA-O 3.49Å
311V97.8Very high97.2Very high6 Ų650.5 Ų50.54%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-111.1120.8-173.6-179.40000110A302 L306 V317 F318 F320 L485A302-V311 HydrophobicContact CB-CG2 4.21Å; L306-V311 HydrophobicContact CD1-CB 4.48Å; L306-V311 HydrophobicContact CD1-CG1 4.09Å; L306-V311 HydrophobicContact CD1-CG2 3.58Å; V311-V317 WeakPolarHBondContact O-CA 3.3Å; V311-F318 PolarHBondContact N-O 3.11Å; V311-F318 PolarHBondContact O-N 2.69Å; V311-F320 HydrophobicContact CB-CD2 4.3Å; V311-F320 HydrophobicContact CB-CE2 3.9Å; V311-F320 HydrophobicContact CG2-CD2 3.69Å; V311-F320 HydrophobicContact CG2-CE2 3.62Å; V311-L485 WeakPolarHBondContact CG1-O 3.43Å
312T97.8Very high97.1Very high79 Ų7956.6 Ų56.649%0.48532%0.315SS..EExtended strand (participates in β ladder)trans-80.8129.2176.3-57.70000110.6
313Y97.1Very high97.1Very high10 Ų1061.7 Ų61.74%0.03935%0.349CS..EExtended strand (participates in β ladder)trans-138.7105.4175.5-176.7-97.9000109.9E315 H316 F318 R421 L485 N488 H490Y313-E315 PolarHBondContact O-N 3.06Å; Y313-H316 PolarHBondContact N-O 2.69Å; Y313-H316 PolarHBondContact O-N 2.95Å; Y313-F318 AromaticContact CD1-CE2 3.85Å; Y313-F318 HydrophobicContact CD1-CE2 3.85Å; Y313-F318 AromaticContact CD1-CZ 3.61Å; Y313-F318 HydrophobicContact CD1-CZ 3.61Å; Y313-F318 HydrophobicContact CD2-CE2 4.48Å; Y313-F318 AromaticContact CG-CE2 3.61Å; Y313-F318 HydrophobicContact CG-CE2 3.61Å; Y313-F318 AromaticContact CG-CZ 3.87Å; Y313-F318 HydrophobicContact CG-CZ 3.87Å; Y313-R421 VanDerWaalsContact OH-CZ 3.3Å; Y313-R421 PolarHBondContact OH-NH1 2.98Å; Y313-R421 PolarHBondContact OH-NH2 2.95Å; Y313-L485 HydrophobicContact CD1-CD2 4.42Å; Y313-L485 HydrophobicContact CD2-CD2 4.16Å; Y313-L485 HydrophobicContact CE1-CD2 4.38Å; Y313-L485 HydrophobicContact CE2-CD2 4.16Å; Y313-L485 HydrophobicContact CG-CD2 4.31Å; Y313-N488 WeakPolarHBondContact CA-OD1 3.3Å; Y313-H490 AromaticContact CE1-CE1 3.92Å; Y313-H490 AromaticContact CE1-ND1 3.72Å; Y313-H490 AromaticContact CE2-CE1 3.86Å; Y313-H490 AromaticContact CE2-ND1 3.64Å; Y313-H490 AromaticContact CZ-CE1 3.72Å; Y313-H490 AromaticContact CZ-ND1 3.25Å; Y313-H490 VanDerWaalsContact CZ-ND1 3.25Å; Y313-H490 PolarHBondContact OH-ND1 3.37Å
314G95.9Very high97.1Very high37 Ų3757.6 Ų57.638%0.38133%0.329SS..THydrogen-bonded Turntrans59.5-122.3-17100000111.2N488 H490G314-N488 PolarHBondContact N-OD1 3.2Å; G314-H490 VanDerWaalsContact CA-CE1 3.48Å; G314-H490 WeakPolarHBondContact CA-CE1 3.43Å; G314-H490 PolarHBondContact N-CE1 2.8Å; G314-H490 VanDerWaalsContact N-CE1 3.32Å
315E95.8Very high97.2Very high178 Ų17856.4 Ų56.483%0.83232%0.324SS*.THydrogen-bonded Turntrans-88.3-6.8176.165.9-156.9165.600113.8Y313Y313-E315 PolarHBondContact O-N 3.06Å
316H96.7Very high97.3Very high65 Ų6560.9 Ų60.930%0.30134%0.341SS..EExtended strand (participates in β ladder)trans-97.7154.5-178.6-55.9-50.6000112Y313 F318 I385Y313-H316 PolarHBondContact N-O 2.69Å; Y313-H316 PolarHBondContact O-N 2.95Å; H316-F318 HydrophobicContact CB-CE1 3.94Å; H316-I385 HydrophobicContact CB-CG2 4.03Å
317V97.9Very high97.4Very high73 Ų7359.4 Ų59.444%0.44233%0.333SS..EExtended strand (participates in β ladder)trans-122116.6168.3-178.90000107.6K310 V311 Q386K310-V317 HydrophobicContact CB-CG1 4.11Å; V311-V317 WeakPolarHBondContact O-CA 3.3Å; V317-Q386 PolarHBondContact O-NE2 2.98Å
318F97.7Very high97.5Very high0 Ų057.9 Ų57.90%031%0.313CS..EExtended strand (participates in β ladder)trans-85.3129.5173.7-50.8-40.8000109K310 V311 Y313 H316 F320 I385 I418 L485K310-F318 CarbonylContact C-O 3.6Å; K310-F318 WeakPolarHBondContact CA-O 3.49Å; V311-F318 PolarHBondContact N-O 3.11Å; V311-F318 PolarHBondContact O-N 2.69Å; Y313-F318 AromaticContact CD1-CE2 3.85Å; Y313-F318 HydrophobicContact CD1-CE2 3.85Å; Y313-F318 AromaticContact CD1-CZ 3.61Å; Y313-F318 HydrophobicContact CD1-CZ 3.61Å; Y313-F318 HydrophobicContact CD2-CE2 4.48Å; Y313-F318 AromaticContact CG-CE2 3.61Å; Y313-F318 HydrophobicContact CG-CE2 3.61Å; Y313-F318 AromaticContact CG-CZ 3.87Å; Y313-F318 HydrophobicContact CG-CZ 3.87Å; H316-F318 HydrophobicContact CB-CE1 3.94Å; F318-F320 HydrophobicContact CB-CE2 4.3Å; F318-F320 HydrophobicContact CB-CZ 4.23Å; F318-I385 VanDerWaalsContact CD1-O 3.29Å; F318-I385 WeakPolarHBondContact CD1-O 3.39Å; F318-I385 HydrophobicContact CE1-CG2 4.04Å; F318-I385 WeakPolarHBondContact CE1-O 3.35Å; F318-I418 HydrophobicContact CD1-CG2 3.97Å; F318-I418 HydrophobicContact CD2-CG2 3.76Å; F318-I418 HydrophobicContact CE1-CG2 4.05Å; F318-I418 HydrophobicContact CE2-CG2 3.83Å; F318-I418 HydrophobicContact CG-CG2 3.82Å; F318-I418 HydrophobicContact CZ-CG2 3.98Å; F318-L485 HydrophobicContact CE2-CD2 3.76Å; F318-L485 HydrophobicContact CZ-CD2 4.33Å
319D96.3Very high97.5Very high25 Ų2555.2 Ų55.213%0.13430%0.297CS..EExtended strand (participates in β ladder)trans-107.388.2179.7-166.6-9.4000110.9G321 K322 Q386D319-G321 PolarHBondContact O-N 3.08Å; D319-G321 VanDerWaalsContact O-N 3.14Å; D319-G321 WeakPolarHBondContact OD1-CA 2.99Å; D319-G321 PolarHBondContact OD1-N 3.46Å; D319-K322 HydrophobicContact CB-CD 4.34Å; D319-K322 PolarHBondContact O-N 3.26Å; D319-K322 WeakPolarHBondContact OD2-CE 3.48Å; D319-K322 IonicContact OD2-NZ 2.8Å; D319-Q386 VanDerWaalsContact N-OE1 3.11Å
320F97.7Very high97.5Very high0 Ų057.7 Ų57.70%030%0.303CS..THydrogen-bonded Turntrans-68.6-6.1175.4-61.8-60.3000113.2F298 R299 A302 T309 V311 F318 F324 P387 I418 F486F298-F320 HydrophobicContact CB-CD1 4.16Å; F298-F320 HydrophobicContact CB-CE1 4.26Å; F298-F320 AromaticContact CD1-CE1 3.92Å; F298-F320 HydrophobicContact CD1-CE1 3.92Å; F298-F320 HydrophobicContact CD1-CZ 4.13Å; F298-F320 HydrophobicContact CG-CE1 4.49Å; R299-F320 WeakPolarHBondContact CG-O 3.41Å; R299-F320 PolarHBondContact NE-O 3.22Å; A302-F320 HydrophobicContact CB-CB 4.44Å; A302-F320 HydrophobicContact CB-CD2 3.75Å; A302-F320 HydrophobicContact CB-CE2 4.48Å; A302-F320 HydrophobicContact CB-CG 4.41Å; T309-F320 WeakPolarHBondContact O-CB 3.28Å; T309-F320 PolarHBondContact O-N 2.89Å; V311-F320 HydrophobicContact CB-CD2 4.3Å; V311-F320 HydrophobicContact CB-CE2 3.9Å; V311-F320 HydrophobicContact CG2-CD2 3.69Å; V311-F320 HydrophobicContact CG2-CE2 3.62Å; F318-F320 HydrophobicContact CB-CE2 4.3Å; F318-F320 HydrophobicContact CB-CZ 4.23Å; F320-F324 HydrophobicContact CB-CE1 4.42Å; F320-F324 AromaticContact CD1-CE1 3.92Å; F320-F324 HydrophobicContact CD1-CE1 3.92Å; F320-F324 AromaticContact CD1-CZ 3.6Å; F320-F324 HydrophobicContact CD1-CZ 3.6Å; F320-F324 HydrophobicContact CE1-CZ 4.31Å; F320-P387 HydrophobicContact CD1-CG 3.68Å; F320-P387 HydrophobicContact CE1-CB 4.44Å; F320-P387 HydrophobicContact CE1-CG 3.54Å; F320-I418 HydrophobicContact CE1-CD1 3.93Å; F320-I418 HydrophobicContact CZ-CD1 4.18Å; F320-F486 HydrophobicContact CE2-CE2 4.09Å; F320-F486 HydrophobicContact CE2-CZ 4.45Å; F320-F486 HydrophobicContact CZ-CE2 4.24Å
321G96.1Very high97.5Very high38 Ų3856.8 Ų56.839%0.39230%0.301SS..THydrogen-bonded Turntrans-79.2-20.2177.800000113D319D319-G321 PolarHBondContact O-N 3.08Å; D319-G321 VanDerWaalsContact O-N 3.14Å; D319-G321 WeakPolarHBondContact OD1-CA 2.99Å; D319-G321 PolarHBondContact OD1-N 3.46Å
322K96.4Very high97.5Very high127 Ų12756.5 Ų56.555%0.55230%0.299SS*.SBendtrans-88.4155.6176.4-66.7176.7-177.61720110.9R299 D319 F324R299-K322 PolarHBondContact NH2-O 3.16Å; D319-K322 HydrophobicContact CB-CD 4.34Å; D319-K322 PolarHBondContact O-N 3.26Å; D319-K322 WeakPolarHBondContact OD2-CE 3.48Å; D319-K322 IonicContact OD2-NZ 2.8Å; K322-F324 WeakPolarHBondContact O-CD1 3.36Å
323P97.9Very high97.5Very high108 Ų10852.8 Ų52.870%0.70128%0.276SS*.PPolyproline II helixtrans-54.9139165.4-2334.2000110.4
324F98.5Very high97.6Very high10 Ų1056.2 Ų56.24%0.04429%0.291CS..PPolyproline II helixtrans-75.5145.4-178.6-66.25.5000109.5E295 F298 F320 K322 P387 F389 F416E295-F324 HydrophobicContact CB-CD2 4.06Å; E295-F324 HydrophobicContact CB-CE2 4.11Å; E295-F324 HydrophobicContact CB-CG 4.38Å; E295-F324 HydrophobicContact CB-CZ 4.44Å; E295-F324 HydrophobicContact CG-CD1 3.84Å; E295-F324 HydrophobicContact CG-CD2 3.99Å; E295-F324 HydrophobicContact CG-CE1 3.85Å; E295-F324 HydrophobicContact CG-CE2 4.04Å; E295-F324 HydrophobicContact CG-CG 3.87Å; E295-F324 HydrophobicContact CG-CZ 3.94Å; E295-F324 PolarHBondContact OE2-N 3.42Å; F298-F324 HydrophobicContact CB-CE2 4.15Å; F298-F324 HydrophobicContact CB-CZ 3.92Å; F320-F324 HydrophobicContact CB-CE1 4.42Å; F320-F324 AromaticContact CD1-CE1 3.92Å; F320-F324 HydrophobicContact CD1-CE1 3.92Å; F320-F324 AromaticContact CD1-CZ 3.6Å; F320-F324 HydrophobicContact CD1-CZ 3.6Å; F320-F324 HydrophobicContact CE1-CZ 4.31Å; K322-F324 WeakPolarHBondContact O-CD1 3.36Å; F324-P387 HydrophobicContact CB-CB 4.16Å; F324-P387 WeakPolarHBondContact CB-O 3.44Å; F324-P387 HydrophobicContact CD1-CB 3.65Å; F324-P387 HydrophobicContact CD1-CG 4.27Å; F324-P387 HydrophobicContact CD2-CB 3.58Å; F324-P387 HydrophobicContact CE1-CB 3.94Å; F324-P387 HydrophobicContact CE1-CG 4.21Å; F324-P387 HydrophobicContact CE2-CB 3.84Å; F324-P387 HydrophobicContact CG-CB 3.51Å; F324-P387 HydrophobicContact CZ-CB 4.04Å; F324-P387 HydrophobicContact CZ-CG 4.39Å; F324-F389 HydrophobicContact CB-CD2 3.97Å; F324-F389 HydrophobicContact CB-CE2 3.69Å; F324-F389 AromaticContact CD2-CE2 3.6Å; F324-F389 HydrophobicContact CD2-CE2 3.6Å; F324-F389 AromaticContact CD2-CZ 3.96Å; F324-F389 HydrophobicContact CD2-CZ 3.96Å; F324-F389 HydrophobicContact CG-CE2 4.12Å; F324-F416 AromaticContact CD2-CE2 3.52Å; F324-F416 HydrophobicContact CD2-CE2 3.52Å; F324-F416 AromaticContact CD2-CZ 3.67Å; F324-F416 HydrophobicContact CD2-CZ 3.67Å; F324-F416 HydrophobicContact CE2-CE1 4.39Å; F324-F416 AromaticContact CE2-CE2 3.86Å; F324-F416 HydrophobicContact CE2-CE2 3.86Å; F324-F416 AromaticContact CE2-CZ 3.47Å; F324-F416 HydrophobicContact CE2-CZ 3.47Å; F324-F416 VanDerWaalsContact CE2-CZ 3.47Å
325E98.2Very high97.7Very high83 Ų8359 Ų5939%0.38829%0.293SS..EExtended strand (participates in β ladder)trans-66.1145.2177.7-71.4-176.8-14200109.5K335 P387 T388 F389E325-K335 IonicContact OE2-NZ 2.67Å; E325-K335 PolarHBondContact OE2-NZ 3.4Å; E325-P387 PolarHBondContact N-O 3.42Å; E325-T388 HydrophobicContact CB-CG2 3.94Å; E325-T388 CarbonylContact O-C 3.57Å; E325-T388 WeakPolarHBondContact O-CA 3.36Å; E325-F389 PolarHBondContact O-N 3.27Å
326K98.6Very high97.8Very high124 Ų12453.5 Ų53.554%0.53927%0.265SS..EExtended strand (participates in β ladder)trans-129.4124.2174.3-52.6-178.8-162.1-176.90107.4I291 F389I291-K326 HydrophobicContact CG2-CD 4.22Å; K326-F389 WeakPolarHBondContact CA-O 3.47Å; K326-F389 HydrophobicContact CG-CB 4.46Å; K326-F389 HydrophobicContact CG-CD2 4.31Å
327L98.5Very high97.8Very high26 Ų2652.4 Ų52.414%0.13626%0.258CS..EExtended strand (participates in β ladder)trans-134.8143.7176-63.6172.1000108E331 A332 K335 T388 F389 I390 T391L327-E331 HydrophobicContact CB-CB 4.41Å; L327-E331 HydrophobicContact CD2-CB 4.4Å; L327-A332 HydrophobicContact CB-CB 4.45Å; L327-A332 HydrophobicContact CD1-CB 4.4Å; L327-K335 HydrophobicContact CD1-CD 3.85Å; L327-T388 HydrophobicContact CD1-CG2 4.44Å; L327-F389 PolarHBondContact N-O 2.97Å; L327-I390 HydrophobicContact CB-CD1 4.03Å; L327-I390 CarbonylContact O-C 3.44Å; L327-I390 VanDerWaalsContact O-CA 3.22Å; L327-I390 WeakPolarHBondContact O-CA 3.34Å; L327-T391 PolarHBondContact O-N 2.94Å
328T98.5Very high97.8Very high19 Ų1953 Ų5312%0.11726%0.263CS..EExtended strand (participates in β ladder)trans-69.6156.9162.268.30000109.6R330 E331 A332 T391 E392T328-R330 PolarHBondContact O-N 2.86Å; T328-E331 PolarHBondContact N-OE2 3.27Å; T328-E331 PolarHBondContact O-N 3.42Å; T328-E331 VanDerWaalsContact O-N 3.14Å; T328-E331 WeakPolarHBondContact OG1-CB 3.38Å; T328-E331 WeakPolarHBondContact OG1-CG 3.15Å; T328-E331 PolarHBondContact OG1-N 3.43Å; T328-E331 PolarHBondContact OG1-OE2 2.84Å; T328-A332 PolarHBondContact O-N 3.46Å; T328-T391 CarbonylContact C-O 3.51Å; T328-T391 WeakPolarHBondContact CA-O 3.31Å; T328-E392 HydrophobicContact CG2-CG 4.11Å; T328-E392 VanDerWaalsContact CG2-OE1 3.29Å; T328-E392 WeakPolarHBondContact CG2-OE1 3.23Å
329M98.3Very high97.7Very high2 Ų259.4 Ų59.41%0.0129%0.293CS..Hα-helixtrans-52.8-42.4173.6-179.8179.5-75.300111.4A332 I333 V372 T373 F376 I390 T391 Y393 P394M329-A332 PolarHBondContact O-N 3.43Å; M329-I333 HydrophobicContact CG-CD1 4.34Å; M329-I333 WeakPolarHBondContact O-CG1 3.47Å; M329-I333 PolarHBondContact O-N 3.38Å; M329-V372 HydrophobicContact SD-CG1 4.08Å; M329-T373 HydrophobicContact CE-CG2 4.06Å; M329-F376 HydrophobicContact CE-CB 4.49Å; M329-F376 HydrophobicContact CE-CD1 4.15Å; M329-F376 HydrophobicContact CE-CG 4.34Å; M329-F376 HydrophobicContact CG-CB 3.64Å; M329-F376 HydrophobicContact CG-CD2 4.07Å; M329-F376 HydrophobicContact CG-CG 3.8Å; M329-F376 HydrophobicContact SD-CB 4.14Å; M329-I390 HydrophobicContact CB-CG2 4Å; M329-T391 PolarHBondContact N-O 3.27Å; M329-Y393 HydrophobicContact CE-CD1 3.3Å; M329-Y393 HydrophobicContact CE-CD2 4.04Å; M329-Y393 HydrophobicContact CE-CE1 3.27Å; M329-Y393 HydrophobicContact CE-CE2 3.97Å; M329-Y393 HydrophobicContact CE-CG 3.69Å; M329-P394 HydrophobicContact SD-CG 4.37Å
330R97.5Very high97.7Very high81 Ų8158.3 Ų58.331%0.30629%0.287SS..Hα-helixtrans-65-43.6177.4-75.1-170.2172.4-142.7-0.9112.8T328 A332 I333 K334 M342 L345 D346T328-R330 PolarHBondContact O-N 2.86Å; R330-A332 VanDerWaalsContact C-N 3.3Å; R330-A332 PolarHBondContact O-N 3.07Å; R330-I333 PolarHBondContact O-N 3.3Å; R330-K334 PolarHBondContact O-N 3.4Å; R330-M342 HydrophobicContact CB-CE 3.63Å; R330-M342 HydrophobicContact CG-CE 4.2Å; R330-M342 WeakPolarHBondContact O-CE 3.43Å; R330-L345 PolarHBondContact NH2-O 2.66Å; R330-D346 IonicContact CZ-OD1 2.66Å; R330-D346 IonicContact NH1-OD1 3.91Å; R330-D346 PolarHBondContact NH1-OD1 3.48Å; R330-D346 IonicContact NH1-OD2 3.93Å; R330-D346 IonicContact NH2-OD1 2.61Å; R330-D346 PolarHBondContact NH2-OD1 2.93Å
331E98.1Very high97.6Very high102 Ų10262.8 Ų62.848%0.47731%0.311SS..Hα-helixtrans-62-39.5174.3-76171.115600111.7L327 T328 K334 K335L327-E331 HydrophobicContact CB-CB 4.41Å; L327-E331 HydrophobicContact CD2-CB 4.4Å; T328-E331 PolarHBondContact N-OE2 3.27Å; T328-E331 PolarHBondContact O-N 3.42Å; T328-E331 VanDerWaalsContact O-N 3.14Å; T328-E331 WeakPolarHBondContact OG1-CB 3.38Å; T328-E331 WeakPolarHBondContact OG1-CG 3.15Å; T328-E331 PolarHBondContact OG1-N 3.43Å; T328-E331 PolarHBondContact OG1-OE2 2.84Å; E331-K334 PolarHBondContact O-N 3.44Å; E331-K335 WeakPolarHBondContact O-CB 3.44Å; E331-K335 PolarHBondContact O-N 2.94Å
332A98.4Very high97.6Very high0 Ų063.4 Ų63.40%031%0.305CS..Hα-helixtrans-63.6-47.5176.800000111.6L327 T328 M329 R330 K334 K335 Y336 F376 A380 I390L327-A332 HydrophobicContact CB-CB 4.45Å; L327-A332 HydrophobicContact CD1-CB 4.4Å; T328-A332 PolarHBondContact O-N 3.46Å; M329-A332 PolarHBondContact O-N 3.43Å; R330-A332 VanDerWaalsContact C-N 3.3Å; R330-A332 PolarHBondContact O-N 3.07Å; A332-K334 VanDerWaalsContact C-N 3.31Å; A332-K334 PolarHBondContact O-N 2.91Å; A332-K335 PolarHBondContact O-N 3.01Å; A332-Y336 VanDerWaalsContact O-CD2 3.24Å; A332-Y336 WeakPolarHBondContact O-CD2 3.38Å; A332-Y336 PolarHBondContact O-N 2.94Å; A332-F376 HydrophobicContact CB-CD2 3.94Å; A332-F376 HydrophobicContact CB-CE2 3.91Å; A332-A380 HydrophobicContact CB-CB 4.1Å; A332-I390 HydrophobicContact CB-CD1 3.94Å
333I98.2Very high97.5Very high0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-55.6-48.2174-66.7166.4000110.1M329 R330 K335 Y336 R337 T340 L345 V372 I375 F376M329-I333 HydrophobicContact CG-CD1 4.34Å; M329-I333 WeakPolarHBondContact O-CG1 3.47Å; M329-I333 PolarHBondContact O-N 3.38Å; R330-I333 PolarHBondContact O-N 3.3Å; I333-K335 PolarHBondContact O-N 2.94Å; I333-Y336 PolarHBondContact O-N 3.09Å; I333-R337 PolarHBondContact O-N 3.45Å; I333-T340 HydrophobicContact CG2-CG2 4.21Å; I333-L345 HydrophobicContact CB-CD1 4.46Å; I333-L345 HydrophobicContact CD1-CD1 4.07Å; I333-L345 HydrophobicContact CG2-CD1 4.05Å; I333-V372 HydrophobicContact CD1-CG1 3.93Å; I333-I375 HydrophobicContact CD1-CG2 4.13Å; I333-I375 HydrophobicContact CG1-CG2 4.26Å; I333-I375 HydrophobicContact CG2-CG2 4.01Å; I333-F376 HydrophobicContact CD1-CB 3.98Å; I333-F376 HydrophobicContact CG1-CB 3.84Å
334K98.1Very high97.4Very high82 Ų8258 Ų5836%0.35728%0.283SS..Hα-helixtrans-64.8-38-179.8-170.551170.3177.70113.1R330 E331 A332 R337 P338 T340 M342R330-K334 PolarHBondContact O-N 3.4Å; E331-K334 PolarHBondContact O-N 3.44Å; A332-K334 VanDerWaalsContact C-N 3.31Å; A332-K334 PolarHBondContact O-N 2.91Å; K334-R337 CarbonylContact O-C 3.53Å; K334-P338 PolarHBondContact NZ-O 3.14Å; K334-P338 WeakPolarHBondContact O-CA 3.49Å; K334-T340 PolarHBondContact NZ-O 2.78Å; K334-M342 HydrophobicContact CB-CE 4.31Å; K334-M342 HydrophobicContact CB-SD 3.63Å; K334-M342 HydrophobicContact CD-CG 4.17Å; K334-M342 HydrophobicContact CD-SD 3.79Å; K334-M342 HydrophobicContact CG-CG 4.41Å; K334-M342 HydrophobicContact CG-SD 3.93Å
335K98.1Very high97.3Very high96 Ų9657.5 Ų57.542%0.41728%0.281SS..Hα-helixtrans-66.2-43.6-179.5-179.8179.1178.6-175.60111.5E325 L327 E331 A332 I333E325-K335 IonicContact OE2-NZ 2.67Å; E325-K335 PolarHBondContact OE2-NZ 3.4Å; L327-K335 HydrophobicContact CD1-CD 3.85Å; E331-K335 WeakPolarHBondContact O-CB 3.44Å; E331-K335 PolarHBondContact O-N 2.94Å; A332-K335 PolarHBondContact O-N 3.01Å; I333-K335 PolarHBondContact O-N 2.94Å
336Y97.8Very high97.2Very high62 Ų6258.2 Ų58.224%0.24329%0.288CS..Hα-helixtrans-95.2-14.3-174.3-64-68.9000114.1A332 I333 V379 A380 H383 L384A332-Y336 VanDerWaalsContact O-CD2 3.24Å; A332-Y336 WeakPolarHBondContact O-CD2 3.38Å; A332-Y336 PolarHBondContact O-N 2.94Å; I333-Y336 PolarHBondContact O-N 3.09Å; Y336-V379 WeakPolarHBondContact CB-O 3.46Å; Y336-A380 HydrophobicContact CD2-CB 3.62Å; Y336-A380 HydrophobicContact CE2-CB 4.31Å; Y336-A380 HydrophobicContact CG-CB 4.36Å; Y336-H383 HydrophobicContact CD1-CB 3.49Å; Y336-H383 VanDerWaalsContact CD1-CB 3.49Å; Y336-H383 AromaticContact CD1-CD2 3.54Å; Y336-H383 AromaticContact CD1-CG 3.64Å; Y336-H383 HydrophobicContact CD2-CB 4.49Å; Y336-H383 HydrophobicContact CE1-CB 3.2Å; Y336-H383 AromaticContact CE1-CG 3.85Å; Y336-H383 HydrophobicContact CE2-CB 4.28Å; Y336-H383 HydrophobicContact CG-CB 4.15Å; Y336-H383 AromaticContact CG-CD2 3.84Å; Y336-L384 HydrophobicContact CE2-CD2 3.77Å
337R96.9Very high97.1Very high42 Ų4256 Ų5616%0.15828%0.282CS..  trans-130.377.3167.1-168.2179.8-178.7-79.52111.1I333 K334 E339 T340 L354 V379I333-R337 PolarHBondContact O-N 3.45Å; K334-R337 CarbonylContact O-C 3.53Å; R337-E339 VanDerWaalsContact CG-CD 3.48Å; R337-E339 HydrophobicContact CG-CG 4.22Å; R337-E339 WeakPolarHBondContact CG-OE1 3.48Å; R337-E339 IonicContact CZ-OE1 3.22Å; R337-E339 IonicContact NE-OE1 3.81Å; R337-E339 PolarHBondContact O-N 3.5Å; R337-E339 VanDerWaalsContact O-N 3.11Å; R337-T340 WeakPolarHBondContact CB-OG1 3.05Å; R337-T340 VanDerWaalsContact CD-OG1 3.3Å; R337-T340 WeakPolarHBondContact CD-OG1 3.14Å; R337-T340 WeakPolarHBondContact CG-OG1 3.32Å; R337-T340 PolarHBondContact NH1-OG1 3.23Å; R337-T340 VanDerWaalsContact O-CB 3.31Å; R337-T340 WeakPolarHBondContact O-CB 3.27Å; R337-T340 PolarHBondContact O-N 3.45Å; R337-T340 PolarHBondContact O-OG1 2.9Å; R337-L354 VanDerWaalsContact NH2-CD1 3.3Å; R337-V379 HydrophobicContact CB-CG1 3.5Å; R337-V379 VanDerWaalsContact CB-CG1 3.5Å; R337-V379 HydrophobicContact CB-CG2 4.4Å
338P97.2Very high97Very high86 Ų8658.6 Ų58.656%0.55829%0.292SS*.THydrogen-bonded Turntrans-57.5-27.3-171.3-26.836.2000115.5K334 T340K334-P338 PolarHBondContact NZ-O 3.14Å; K334-P338 WeakPolarHBondContact O-CA 3.49Å; P338-T340 VanDerWaalsContact C-N 3.26Å; P338-T340 PolarHBondContact O-N 3.42Å
339E96.4Very high97Very high135 Ų13563.3 Ų63.363%0.63132%0.317SS*.THydrogen-bonded Turntrans-75-9178.969.7-85.4-159.200114.2R337 D341R337-E339 VanDerWaalsContact CG-CD 3.48Å; R337-E339 HydrophobicContact CG-CG 4.22Å; R337-E339 WeakPolarHBondContact CG-OE1 3.48Å; R337-E339 IonicContact CZ-OE1 3.22Å; R337-E339 IonicContact NE-OE1 3.81Å; R337-E339 PolarHBondContact O-N 3.5Å; R337-E339 VanDerWaalsContact O-N 3.11Å; E339-D341 PolarHBondContact O-N 3Å
340T95.9Very high96.9Very high1 Ų164.3 Ų64.31%0.00633%0.326CS..  trans-65.2122.3177.5-51.60000110.7I333 K334 R337 P338 L345 L354I333-T340 HydrophobicContact CG2-CG2 4.21Å; K334-T340 PolarHBondContact NZ-O 2.78Å; R337-T340 WeakPolarHBondContact CB-OG1 3.05Å; R337-T340 VanDerWaalsContact CD-OG1 3.3Å; R337-T340 WeakPolarHBondContact CD-OG1 3.14Å; R337-T340 WeakPolarHBondContact CG-OG1 3.32Å; R337-T340 PolarHBondContact NH1-OG1 3.23Å; R337-T340 VanDerWaalsContact O-CB 3.31Å; R337-T340 WeakPolarHBondContact O-CB 3.27Å; R337-T340 PolarHBondContact O-N 3.45Å; R337-T340 PolarHBondContact O-OG1 2.9Å; P338-T340 VanDerWaalsContact C-N 3.26Å; P338-T340 PolarHBondContact O-N 3.42Å; T340-L345 HydrophobicContact CG2-CD1 4.46Å; T340-L345 HydrophobicContact CG2-CD2 4.47Å; T340-L345 HydrophobicContact CG2-CG 4.39Å; T340-L354 HydrophobicContact CG2-CD2 3.72Å
341D95.7Very high97Very high95 Ų9560.5 Ų60.551%0.50831%0.311SS..  trans-74.5125164.5-166.9-15000108.4E339 A343 D344E339-D341 PolarHBondContact O-N 3Å; D341-A343 PolarHBondContact O-N 3.49Å; D341-A343 PolarHBondContact OD1-N 3.04Å; D341-A343 VanDerWaalsContact OD1-N 3.16Å; D341-D344 WeakPolarHBondContact O-CB 3.3Å; D341-D344 PolarHBondContact O-N 2.91Å; D341-D344 VanDerWaalsContact O-N 3.14Å
342M95.9Very high96.9Very high51 Ų5159 Ų5925%0.25130%0.303SS..G310 helixtrans-67.6-25-176.8-63.9-54.2-69.300111.9R330 K334 D344 L345R330-M342 HydrophobicContact CB-CE 3.63Å; R330-M342 HydrophobicContact CG-CE 4.2Å; R330-M342 WeakPolarHBondContact O-CE 3.43Å; K334-M342 HydrophobicContact CB-CE 4.31Å; K334-M342 HydrophobicContact CB-SD 3.63Å; K334-M342 HydrophobicContact CD-CG 4.17Å; K334-M342 HydrophobicContact CD-SD 3.79Å; K334-M342 HydrophobicContact CG-CG 4.41Å; K334-M342 HydrophobicContact CG-SD 3.93Å; M342-D344 PolarHBondContact O-N 3.03Å; M342-L345 HydrophobicContact CE-CD1 3.74Å; M342-L345 PolarHBondContact O-N 3.3Å; M342-L345 HydrophobicContact SD-CD1 4.09Å
343A95.3Very high96.9Very high55 Ų5561.5 Ų61.546%0.45532%0.324SS..G310 helixtrans-65.5-25.9175.500000112.6D341 L345 D346D341-A343 PolarHBondContact O-N 3.49Å; D341-A343 PolarHBondContact OD1-N 3.04Å; D341-A343 VanDerWaalsContact OD1-N 3.16Å; A343-L345 PolarHBondContact O-N 3.42Å; A343-D346 WeakPolarHBondContact O-CB 3.12Å; A343-D346 PolarHBondContact O-N 2.61Å
344D95.3Very high96.8Very high65 Ų6562 Ų6235%0.34833%0.327SS..G310 helixtrans-68-28.2177.5-67-23.6000111.4D341 M342 D346 N347 A350 A351D341-D344 WeakPolarHBondContact O-CB 3.3Å; D341-D344 PolarHBondContact O-N 2.91Å; D341-D344 VanDerWaalsContact O-N 3.14Å; M342-D344 PolarHBondContact O-N 3.03Å; D344-D346 PolarHBondContact O-N 2.88Å; D344-N347 PolarHBondContact O-N 3.16Å; D344-N347 VanDerWaalsContact O-O 3.12Å; D344-A350 HydrophobicContact CB-CB 3.85Å; D344-A351 PolarHBondContact O-N 3.16Å; D344-A351 VanDerWaalsContact O-N 3.16Å
345L96.3Very high96.8Very high0 Ų058.1 Ų58.10%031%0.31CS..G310 helixtrans-75.1-8.3177.3-57.1-179.9000113.2R330 I333 T340 M342 A343 L354 V372 I375R330-L345 PolarHBondContact NH2-O 2.66Å; I333-L345 HydrophobicContact CB-CD1 4.46Å; I333-L345 HydrophobicContact CD1-CD1 4.07Å; I333-L345 HydrophobicContact CG2-CD1 4.05Å; T340-L345 HydrophobicContact CG2-CD1 4.46Å; T340-L345 HydrophobicContact CG2-CD2 4.47Å; T340-L345 HydrophobicContact CG2-CG 4.39Å; M342-L345 HydrophobicContact CE-CD1 3.74Å; M342-L345 PolarHBondContact O-N 3.3Å; M342-L345 HydrophobicContact SD-CD1 4.09Å; A343-L345 PolarHBondContact O-N 3.42Å; L345-L354 HydrophobicContact CD2-CD2 3.66Å; L345-V372 HydrophobicContact CB-CG2 4.33Å; L345-V372 HydrophobicContact CD2-CG2 4.43Å; L345-I375 HydrophobicContact CD2-CD1 4.1Å
346D95.6Very high96.8Very high98 Ų9858.5 Ų58.552%0.52431%0.313SS..G310 helixtrans-94.1-5.8175.5-64.8-46.6000112.7R330 A343 D344R330-D346 IonicContact CZ-OD1 2.66Å; R330-D346 IonicContact NH1-OD1 3.91Å; R330-D346 PolarHBondContact NH1-OD1 3.48Å; R330-D346 IonicContact NH1-OD2 3.93Å; R330-D346 IonicContact NH2-OD1 2.61Å; R330-D346 PolarHBondContact NH2-OD1 2.93Å; A343-D346 WeakPolarHBondContact O-CB 3.12Å; A343-D346 PolarHBondContact O-N 2.61Å; D344-D346 PolarHBondContact O-N 2.88Å
347N97.2Very high96.7Very high79 Ų7959.3 Ų59.342%0.42233%0.328SS..SBendtrans-124.5128.2-175.9-179.3-83.6000111.1D344 D349 A350 A351D344-N347 PolarHBondContact O-N 3.16Å; D344-N347 VanDerWaalsContact O-O 3.12Å; N347-D349 PolarHBondContact O-N 3.17Å; N347-D349 PolarHBondContact OD1-N 2.81Å; N347-A350 HydrophobicContact CB-CB 4Å; N347-A350 PolarHBondContact O-N 3.03Å; N347-A350 PolarHBondContact OD1-N 3.36Å; N347-A351 VanDerWaalsContact O-CB 3.24Å; N347-A351 WeakPolarHBondContact O-CB 3.37Å; N347-A351 PolarHBondContact O-N 2.85Å
348F97Very high96.7Very high80 Ų8059.4 Ų59.435%0.35133%0.331SS..Hα-helixtrans-55.1-50.7-178.2-177.6-91.4000113.5K352 W366 L368 I371F348-K352 HydrophobicContact CE1-CD 4.25Å; F348-K352 WeakPolarHBondContact O-CB 3.32Å; F348-K352 PolarHBondContact O-N 2.94Å; F348-W366 WeakPolarHBondContact CE2-O 3.36Å; F348-L368 HydrophobicContact CD2-CB 4.36Å; F348-I371 HydrophobicContact CD2-CD1 3.98Å; F348-I371 HydrophobicContact CE2-CD1 3.52Å; F348-I371 HydrophobicContact CZ-CD1 3.99Å
349D97.5Very high96.7Very high117 Ų11758.4 Ų58.463%0.62634%0.337SS*.Hα-helixtrans-68.4-38.4-175.9-66.5-47.2000111.6N347 A353N347-D349 PolarHBondContact O-N 3.17Å; N347-D349 PolarHBondContact OD1-N 2.81Å; D349-A353 WeakPolarHBondContact O-CB 3.13Å; D349-A353 PolarHBondContact O-N 3.37Å
350A97.6Very high96.7Very high24 Ų2452.8 Ų52.820%0.19831%0.311CS..Hα-helixtrans-69.8-45.8177.400000112D344 N347 K352 A353 L354D344-A350 HydrophobicContact CB-CB 3.85Å; N347-A350 HydrophobicContact CB-CB 4Å; N347-A350 PolarHBondContact O-N 3.03Å; N347-A350 PolarHBondContact OD1-N 3.36Å; A350-K352 VanDerWaalsContact C-N 3.32Å; A350-K352 PolarHBondContact O-N 2.88Å; A350-A353 PolarHBondContact O-N 2.77Å; A350-L354 WeakPolarHBondContact O-CB 2.83Å; A350-L354 PolarHBondContact O-N 3.04Å
351A97.7Very high96.7Very high0 Ų057.9 Ų57.90%034%0.342CS..Hα-helixtrans-61.7-40.9175.200000111.4D344 N347 L354 A355 L368 I371D344-A351 PolarHBondContact O-N 3.16Å; D344-A351 VanDerWaalsContact O-N 3.16Å; N347-A351 VanDerWaalsContact O-CB 3.24Å; N347-A351 WeakPolarHBondContact O-CB 3.37Å; N347-A351 PolarHBondContact O-N 2.85Å; A351-L354 WeakPolarHBondContact O-CB 3.49Å; A351-L354 PolarHBondContact O-N 3.17Å; A351-A355 WeakPolarHBondContact O-CB 2.98Å; A351-A355 PolarHBondContact O-N 3.4Å; A351-L368 HydrophobicContact CB-CD1 3.48Å; A351-L368 VanDerWaalsContact CB-CD1 3.48Å; A351-I371 HydrophobicContact CB-CG2 3.92Å
352K97.8Very high96.7Very high70 Ų7054.3 Ų54.330%0.30432%0.324SS..Hα-helixtrans-60.6-48.5173.7178.2175.7177.5178.70111.7F348 A350 L354 A355 E356 V362 I371F348-K352 HydrophobicContact CE1-CD 4.25Å; F348-K352 WeakPolarHBondContact O-CB 3.32Å; F348-K352 PolarHBondContact O-N 2.94Å; A350-K352 VanDerWaalsContact C-N 3.32Å; A350-K352 PolarHBondContact O-N 2.88Å; K352-L354 VanDerWaalsContact C-N 3.26Å; K352-L354 PolarHBondContact O-N 3.3Å; K352-A355 PolarHBondContact O-N 2.76Å; K352-E356 WeakPolarHBondContact CE-OE1 3.07Å; K352-E356 IonicContact NZ-OE1 3.81Å; K352-E356 WeakPolarHBondContact O-CG 3.35Å; K352-E356 PolarHBondContact O-N 3.12Å; K352-V362 HydrophobicContact CD-CG1 4.42Å; K352-V362 HydrophobicContact CG-CB 4.31Å; K352-V362 HydrophobicContact CG-CG1 4.27Å; K352-V362 HydrophobicContact CG-CG2 4.13Å; K352-I371 HydrophobicContact CB-CD1 4.21Å
353A97.5Very high96.4Very high54 Ų5457 Ų5745%0.44634%0.335SS..Hα-helixtrans-60.9-38.3177.800000111.7D349 A350 S357D349-A353 WeakPolarHBondContact O-CB 3.13Å; D349-A353 PolarHBondContact O-N 3.37Å; A350-A353 PolarHBondContact O-N 2.77Å; A353-S357 WeakPolarHBondContact O-CB 3.35Å; A353-S357 PolarHBondContact O-N 3.21Å
354L96.9Very high96.1Very high11 Ų1164.4 Ų64.46%0.05836%0.357CS..Hα-helixtrans-62.2-50.1173.5171.958000111.7R337 T340 L345 A350 A351 K352 E356 S357 I358 I375R337-L354 VanDerWaalsContact NH2-CD1 3.3Å; T340-L354 HydrophobicContact CG2-CD2 3.72Å; L345-L354 HydrophobicContact CD2-CD2 3.66Å; A350-L354 WeakPolarHBondContact O-CB 2.83Å; A350-L354 PolarHBondContact O-N 3.04Å; A351-L354 WeakPolarHBondContact O-CB 3.49Å; A351-L354 PolarHBondContact O-N 3.17Å; K352-L354 VanDerWaalsContact C-N 3.26Å; K352-L354 PolarHBondContact O-N 3.3Å; L354-E356 PolarHBondContact O-N 3.21Å; L354-S357 WeakPolarHBondContact O-CB 3.41Å; L354-S357 PolarHBondContact O-N 2.93Å; L354-S357 VanDerWaalsContact O-N 3.12Å; L354-S357 PolarHBondContact O-OG 3.46Å; L354-I358 PolarHBondContact O-N 3.32Å; L354-I375 HydrophobicContact CB-CD1 4.4Å; L354-I375 HydrophobicContact CD2-CD1 3.97Å; L354-I375 HydrophobicContact CD2-CG2 4.48Å; L354-I375 HydrophobicContact CG-CD1 3.99Å
355A97.7Very high95.7Very high0 Ų065.3 Ų65.30%037%0.369CS..Hα-helixtrans-57.7-48.1177.800000111.6A351 K352 S357 I358 G359 I360 V362 I371 I375A351-A355 WeakPolarHBondContact O-CB 2.98Å; A351-A355 PolarHBondContact O-N 3.4Å; K352-A355 PolarHBondContact O-N 2.76Å; A355-S357 VanDerWaalsContact C-N 3.27Å; A355-S357 PolarHBondContact O-N 2.85Å; A355-I358 WeakPolarHBondContact O-CG1 3.31Å; A355-I358 PolarHBondContact O-N 3.24Å; A355-I358 VanDerWaalsContact O-N 3.17Å; A355-G359 PolarHBondContact O-N 2.8Å; A355-I360 HydrophobicContact CB-CB 4.07Å; A355-I360 HydrophobicContact CB-CD1 4.25Å; A355-I360 HydrophobicContact CB-CG2 4.31Å; A355-I360 WeakPolarHBondContact O-CB 3.28Å; A355-I360 PolarHBondContact O-N 2.91Å; A355-V362 HydrophobicContact CB-CG2 3.82Å; A355-I371 HydrophobicContact CB-CG2 3.9Å; A355-I375 HydrophobicContact CB-CD1 4.1Å; A355-I375 HydrophobicContact CB-CG1 3.87Å
356E97.4Very high95.5Very high103 Ų10367.4 Ų67.448%0.48138%0.377SS..Hα-helixtrans-61.9-34.4176.8-70.7177.717200112K352 L354 I358 G359 V362K352-E356 WeakPolarHBondContact CE-OE1 3.07Å; K352-E356 IonicContact NZ-OE1 3.81Å; K352-E356 WeakPolarHBondContact O-CG 3.35Å; K352-E356 PolarHBondContact O-N 3.12Å; L354-E356 PolarHBondContact O-N 3.21Å; E356-I358 VanDerWaalsContact C-N 3.25Å; E356-I358 PolarHBondContact O-N 3.23Å; E356-G359 PolarHBondContact O-N 3.34Å; E356-V362 HydrophobicContact CG-CG2 4.37Å
357S96.5Very high95.3Very high80 Ų8063.8 Ų63.856%0.55936%0.363SS*.Hα-helixtrans-66.6-24.8178.581.50000114A353 L354 A355A353-S357 WeakPolarHBondContact O-CB 3.35Å; A353-S357 PolarHBondContact O-N 3.21Å; L354-S357 WeakPolarHBondContact O-CB 3.41Å; L354-S357 PolarHBondContact O-N 2.93Å; L354-S357 VanDerWaalsContact O-N 3.12Å; L354-S357 PolarHBondContact O-OG 3.46Å; A355-S357 VanDerWaalsContact C-N 3.27Å; A355-S357 PolarHBondContact O-N 2.85Å
358I96.4Very high95.3Very high43 Ų4362.4 Ų62.422%0.22136%0.355CS..THydrogen-bonded Turntrans-101.710.5177.562.6173.5000112.5L354 A355 E356 I360 I375 E378 V379L354-I358 PolarHBondContact O-N 3.32Å; A355-I358 WeakPolarHBondContact O-CG1 3.31Å; A355-I358 PolarHBondContact O-N 3.24Å; A355-I358 VanDerWaalsContact O-N 3.17Å; E356-I358 VanDerWaalsContact C-N 3.25Å; E356-I358 PolarHBondContact O-N 3.23Å; I358-I360 HydrophobicContact CD1-CD1 3.63Å; I358-I360 HydrophobicContact CD1-CG1 4.36Å; I358-I360 HydrophobicContact CG1-CD1 3.85Å; I358-I360 HydrophobicContact CG1-CG1 4.1Å; I358-I375 HydrophobicContact CD1-CB 4.5Å; I358-I375 HydrophobicContact CD1-CG1 4.32Å; I358-I375 HydrophobicContact CD1-CG2 4.2Å; I358-E378 HydrophobicContact CD1-CB 4.26Å; I358-E378 HydrophobicContact CD1-CG 4.22Å; I358-V379 HydrophobicContact CD1-CG2 3.67Å
359G96.5Very high95.3Very high66 Ų6659.1 Ų59.168%0.6834%0.344SS*.THydrogen-bonded Turntrans909.3172.700000115.3A355 E356A355-G359 PolarHBondContact O-N 2.8Å; E356-G359 PolarHBondContact O-N 3.34Å
360I97.3Very high95.2Very high16 Ų1657.6 Ų57.68%0.08233%0.329CS..  trans-79.7130.3175.3-60.1167.6000109.2A355 I358 W366 E374 I375 E378A355-I360 HydrophobicContact CB-CB 4.07Å; A355-I360 HydrophobicContact CB-CD1 4.25Å; A355-I360 HydrophobicContact CB-CG2 4.31Å; A355-I360 WeakPolarHBondContact O-CB 3.28Å; A355-I360 PolarHBondContact O-N 2.91Å; I358-I360 HydrophobicContact CD1-CD1 3.63Å; I358-I360 HydrophobicContact CD1-CG1 4.36Å; I358-I360 HydrophobicContact CG1-CD1 3.85Å; I358-I360 HydrophobicContact CG1-CG1 4.1Å; I360-W366 HydrophobicContact CG2-CH2 4.46Å; I360-W366 HydrophobicContact CG2-CZ3 4.01Å; I360-E374 HydrophobicContact CD1-CB 4.26Å; I360-E374 WeakPolarHBondContact CD1-O 3.38Å; I360-E374 HydrophobicContact CG2-CB 4.18Å; I360-I375 HydrophobicContact CD1-CG1 4.18Å; I360-E378 HydrophobicContact CD1-CB 3.9Å; I360-E378 HydrophobicContact CD1-CG 4.43Å; I360-E378 HydrophobicContact CG1-CB 4.24Å; I360-E378 HydrophobicContact CG1-CG 4.36Å
361T96.2Very high95.2Very high109 Ų10956.5 Ų56.567%0.66932%0.32SS*.  trans-87.2112.5172-600000109.1
362V94.4Very high95.2Very high20 Ų2056.8 Ų56.812%0.12132%0.322CS..  trans-84.4116.1-178.8179.80000110.5K352 A355 E356 W366 I371K352-V362 HydrophobicContact CD-CG1 4.42Å; K352-V362 HydrophobicContact CG-CB 4.31Å; K352-V362 HydrophobicContact CG-CG1 4.27Å; K352-V362 HydrophobicContact CG-CG2 4.13Å; A355-V362 HydrophobicContact CB-CG2 3.82Å; E356-V362 HydrophobicContact CG-CG2 4.37Å; V362-W366 HydrophobicContact CB-CE3 4.34Å; V362-W366 HydrophobicContact CG1-CB 4.45Å; V362-W366 HydrophobicContact CG1-CE3 4Å; V362-I371 HydrophobicContact CG1-CD1 3.78Å; V362-I371 HydrophobicContact CG1-CG1 3.87Å; V362-I371 HydrophobicContact CG2-CG1 4.48Å
363E90.9Very high95.2Very high106 Ų10654 Ų5450%0.49531%0.311SS..  trans-71.7151.8177-67.1-63.1161.700112.1S365 W366E363-S365 PolarHBondContact O-N 3.02Å; E363-W366 HydrophobicContact CB-CD2 3.99Å; E363-W366 HydrophobicContact CB-CG 4Å; E363-W366 HydrophobicContact CB-CZ2 4.37Å; E363-W366 HydrophobicContact CG-CZ2 4.02Å; E363-W366 PolarHBondContact O-N 3.22Å
364K88.6Confident95.2Very high211 Ų21153.3 Ų53.392%0.91730%0.298SS*.THydrogen-bonded Turntrans-64.5-24.6-176.7-68.1-177.7-177.9175.50113.8
365S86.9Confident95.2Very high84 Ų8452.8 Ų52.859%0.58730%0.295SS*.THydrogen-bonded Turntrans-84.4-11.9-17949.90000113.3E363E363-S365 PolarHBondContact O-N 3.02Å
366W91.1Very high95.3Very high44 Ų4452.8 Ų52.817%0.16730%0.295CS..  trans-75.3133.1-175.5-67.4-0.5000111.5F348 I360 V362 E363 R370 I371 E374F348-W366 WeakPolarHBondContact CE2-O 3.36Å; I360-W366 HydrophobicContact CG2-CH2 4.46Å; I360-W366 HydrophobicContact CG2-CZ3 4.01Å; V362-W366 HydrophobicContact CB-CE3 4.34Å; V362-W366 HydrophobicContact CG1-CB 4.45Å; V362-W366 HydrophobicContact CG1-CE3 4Å; E363-W366 HydrophobicContact CB-CD2 3.99Å; E363-W366 HydrophobicContact CB-CG 4Å; E363-W366 HydrophobicContact CB-CZ2 4.37Å; E363-W366 HydrophobicContact CG-CZ2 4.02Å; E363-W366 PolarHBondContact O-N 3.22Å; W366-R370 HydrophobicContact CB-CB 4.12Å; W366-R370 HydrophobicContact CB-CG 4.1Å; W366-R370 HydrophobicContact CD2-CB 4.5Å; W366-R370 HydrophobicContact CD2-CG 3.59Å; W366-R370 HydrophobicContact CE3-CG 4.14Å; W366-R370 HydrophobicContact CG-CB 4.13Å; W366-R370 HydrophobicContact CG-CG 3.55Å; W366-I371 HydrophobicContact CB-CG1 4.31Å; W366-I371 HydrophobicContact CE3-CG1 4.27Å; W366-E374 HydrophobicContact CE3-CG 4.29Å; W366-E374 HydrophobicContact CH2-CB 4.5Å; W366-E374 HydrophobicContact CH2-CG 3.63Å; W366-E374 HydrophobicContact CZ2-CG 4.32Å; W366-E374 HydrophobicContact CZ3-CB 4.2Å; W366-E374 HydrophobicContact CZ3-CG 3.62Å
367G93Very high95.2Very high22 Ų2250.3 Ų50.323%0.22729%0.286CS..  trans-86.8-176.2163.300000112.1G369 R370 I371 E396G367-G369 VanDerWaalsContact C-N 3.32Å; G367-G369 PolarHBondContact O-N 2.92Å; G367-R370 PolarHBondContact O-N 2.88Å; G367-I371 WeakPolarHBondContact O-CG1 3.02Å; G367-I371 PolarHBondContact O-N 3.44Å; G367-E396 VanDerWaalsContact CA-OE1 3.23Å; G367-E396 WeakPolarHBondContact CA-OE1 3.41Å; G367-E396 VanDerWaalsContact CA-OE2 3.22Å; G367-E396 WeakPolarHBondContact CA-OE2 3.12Å; G367-E396 PolarHBondContact N-OE1 3.07Å
368L96.3Very high95.3Very high51 Ų5152.5 Ų52.527%0.26729%0.287SS..Hα-helixtrans-62.3-39.9-177.7175.461.5000111.9F348 A351 R370 I371 V372 E396F348-L368 HydrophobicContact CD2-CB 4.36Å; A351-L368 HydrophobicContact CB-CD1 3.48Å; A351-L368 VanDerWaalsContact CB-CD1 3.48Å; L368-R370 PolarHBondContact O-N 2.85Å; L368-I371 PolarHBondContact O-N 3.4Å; L368-V372 HydrophobicContact CD1-CG2 4.05Å; L368-V372 HydrophobicContact CG-CG2 4.4Å; L368-V372 WeakPolarHBondContact O-CG2 3.47Å; L368-V372 PolarHBondContact O-N 3.36Å; L368-E396 PolarHBondContact N-OE2 2.83Å
369G96.1Very high95.3Very high11 Ų1151.2 Ų51.211%0.11328%0.281CS..Hα-helixtrans-62.2-45.7-177.900000111.3G367 I371 V372 T373 P394 E396G367-G369 VanDerWaalsContact C-N 3.32Å; G367-G369 PolarHBondContact O-N 2.92Å; G369-I371 PolarHBondContact O-N 3Å; G369-V372 PolarHBondContact O-N 3.39Å; G369-T373 PolarHBondContact O-N 2.69Å; G369-T373 PolarHBondContact O-OG1 3.38Å; G369-T373 VanDerWaalsContact O-OG1 3.12Å; G369-P394 VanDerWaalsContact CA-CB 3.42Å; G369-E396 VanDerWaalsContact CA-OE2 3.3Å; G369-E396 WeakPolarHBondContact CA-OE2 3.42Å; G369-E396 PolarHBondContact N-OE2 2.74Å
370R95.5Very high95.4Very high85 Ų8548.1 Ų48.132%0.32125%0.249SC..Hα-helixtrans-62.2-43.5176.5-176.958.7-179.7-117.58.1112.1W366 G367 L368 V372 T373 E374 E396 V397W366-R370 HydrophobicContact CB-CB 4.12Å; W366-R370 HydrophobicContact CB-CG 4.1Å; W366-R370 HydrophobicContact CD2-CB 4.5Å; W366-R370 HydrophobicContact CD2-CG 3.59Å; W366-R370 HydrophobicContact CE3-CG 4.14Å; W366-R370 HydrophobicContact CG-CB 4.13Å; W366-R370 HydrophobicContact CG-CG 3.55Å; G367-R370 PolarHBondContact O-N 2.88Å; L368-R370 PolarHBondContact O-N 2.85Å; R370-V372 VanDerWaalsContact C-N 3.33Å; R370-V372 PolarHBondContact O-N 3.18Å; R370-T373 PolarHBondContact O-N 2.84Å; R370-E374 HydrophobicContact CG-CG 4.4Å; R370-E374 IonicContact CZ-OE1 3.71Å; R370-E374 IonicContact NE-OE1 2.68Å; R370-E374 PolarHBondContact NE-OE1 3.5Å; R370-E374 IonicContact NH2-OE1 3.53Å; R370-E374 PolarHBondContact NH2-OE1 3.06Å; R370-E374 VanDerWaalsContact O-CG 3.26Å; R370-E374 WeakPolarHBondContact O-CG 3.46Å; R370-E374 PolarHBondContact O-N 2.85Å; R370-E396 VanDerWaalsContact CB-OE1 3.3Å; R370-E396 WeakPolarHBondContact CB-OE1 3.46Å; R370-E396 PolarHBondContact N-OE2 3.15Å; R370-E396 VanDerWaalsContact N-OE2 3.08Å; R370-V397 HydrophobicContact CB-CG1 4.07Å
371I97.6Very high95.3Very high0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-59.4-44.8177.3-66.5168000111.1F348 A351 K352 A355 V362 W366 G367 L368 G369 T373 E374 I375F348-I371 HydrophobicContact CD2-CD1 3.98Å; F348-I371 HydrophobicContact CE2-CD1 3.52Å; F348-I371 HydrophobicContact CZ-CD1 3.99Å; A351-I371 HydrophobicContact CB-CG2 3.92Å; K352-I371 HydrophobicContact CB-CD1 4.21Å; A355-I371 HydrophobicContact CB-CG2 3.9Å; V362-I371 HydrophobicContact CG1-CD1 3.78Å; V362-I371 HydrophobicContact CG1-CG1 3.87Å; V362-I371 HydrophobicContact CG2-CG1 4.48Å; W366-I371 HydrophobicContact CB-CG1 4.31Å; W366-I371 HydrophobicContact CE3-CG1 4.27Å; G367-I371 WeakPolarHBondContact O-CG1 3.02Å; G367-I371 PolarHBondContact O-N 3.44Å; L368-I371 PolarHBondContact O-N 3.4Å; G369-I371 PolarHBondContact O-N 3Å; I371-T373 VanDerWaalsContact C-N 3.34Å; I371-T373 PolarHBondContact O-N 2.85Å; I371-E374 PolarHBondContact O-N 2.65Å; I371-I375 HydrophobicContact CG2-CD1 3.88Å; I371-I375 HydrophobicContact CG2-CG1 4.49Å; I371-I375 VanDerWaalsContact O-CG1 3.29Å; I371-I375 WeakPolarHBondContact O-CG1 3.19Å; I371-I375 PolarHBondContact O-N 3.34Å
372V97.9Very high95.4Very high6 Ų647.9 Ų47.94%0.03625%0.252CS..Hα-helixtrans-63.2-40.4178.5172.20000111.5M329 I333 L345 L368 G369 R370 I375 F376M329-V372 HydrophobicContact SD-CG1 4.08Å; I333-V372 HydrophobicContact CD1-CG1 3.93Å; L345-V372 HydrophobicContact CB-CG2 4.33Å; L345-V372 HydrophobicContact CD2-CG2 4.43Å; L368-V372 HydrophobicContact CD1-CG2 4.05Å; L368-V372 HydrophobicContact CG-CG2 4.4Å; L368-V372 WeakPolarHBondContact O-CG2 3.47Å; L368-V372 PolarHBondContact O-N 3.36Å; G369-V372 PolarHBondContact O-N 3.39Å; R370-V372 VanDerWaalsContact C-N 3.33Å; R370-V372 PolarHBondContact O-N 3.18Å; V372-I375 PolarHBondContact O-N 2.98Å; V372-F376 PolarHBondContact O-N 3.14Å
373T97.8Very high95.5Very high12 Ų1251.8 Ų51.87%0.07427%0.269CS..Hα-helixtrans-62.3-45.2175.3-58.30000112M329 G369 R370 I371 I375 F376 D377 V397M329-T373 HydrophobicContact CE-CG2 4.06Å; G369-T373 PolarHBondContact O-N 2.69Å; G369-T373 PolarHBondContact O-OG1 3.38Å; G369-T373 VanDerWaalsContact O-OG1 3.12Å; R370-T373 PolarHBondContact O-N 2.84Å; I371-T373 VanDerWaalsContact C-N 3.34Å; I371-T373 PolarHBondContact O-N 2.85Å; T373-I375 VanDerWaalsContact C-N 3.33Å; T373-I375 PolarHBondContact O-N 3.49Å; T373-F376 WeakPolarHBondContact O-CA 3.48Å; T373-F376 WeakPolarHBondContact O-CB 3.35Å; T373-F376 PolarHBondContact O-N 2.88Å; T373-D377 PolarHBondContact O-N 3.08Å; T373-V397 WeakPolarHBondContact OG1-CG2 3.46Å
374E97.7Very high95.9Very high39 Ų3946.8 Ų46.818%0.18225%0.245CC..Hα-helixtrans-65.9-36178.7-63.4-80.1162.800111.9I360 W366 R370 I371 F376 D377 E378I360-E374 HydrophobicContact CD1-CB 4.26Å; I360-E374 WeakPolarHBondContact CD1-O 3.38Å; I360-E374 HydrophobicContact CG2-CB 4.18Å; W366-E374 HydrophobicContact CE3-CG 4.29Å; W366-E374 HydrophobicContact CH2-CB 4.5Å; W366-E374 HydrophobicContact CH2-CG 3.63Å; W366-E374 HydrophobicContact CZ2-CG 4.32Å; W366-E374 HydrophobicContact CZ3-CB 4.2Å; W366-E374 HydrophobicContact CZ3-CG 3.62Å; R370-E374 HydrophobicContact CG-CG 4.4Å; R370-E374 IonicContact CZ-OE1 3.71Å; R370-E374 IonicContact NE-OE1 2.68Å; R370-E374 PolarHBondContact NE-OE1 3.5Å; R370-E374 IonicContact NH2-OE1 3.53Å; R370-E374 PolarHBondContact NH2-OE1 3.06Å; R370-E374 VanDerWaalsContact O-CG 3.26Å; R370-E374 WeakPolarHBondContact O-CG 3.46Å; R370-E374 PolarHBondContact O-N 2.85Å; I371-E374 PolarHBondContact O-N 2.65Å; E374-F376 VanDerWaalsContact C-N 3.31Å; E374-F376 PolarHBondContact O-N 2.91Å; E374-D377 PolarHBondContact O-N 3.03Å; E374-E378 PolarHBondContact O-N 2.76Å; E374-E378 VanDerWaalsContact O-N 3.11Å
375I98.2Very high96.3Very high0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-61.2-42.8171.5-69163.5000110.3I333 L345 L354 A355 I358 I360 I371 V372 T373 V379I333-I375 HydrophobicContact CD1-CG2 4.13Å; I333-I375 HydrophobicContact CG1-CG2 4.26Å; I333-I375 HydrophobicContact CG2-CG2 4.01Å; L345-I375 HydrophobicContact CD2-CD1 4.1Å; L354-I375 HydrophobicContact CB-CD1 4.4Å; L354-I375 HydrophobicContact CD2-CD1 3.97Å; L354-I375 HydrophobicContact CD2-CG2 4.48Å; L354-I375 HydrophobicContact CG-CD1 3.99Å; A355-I375 HydrophobicContact CB-CD1 4.1Å; A355-I375 HydrophobicContact CB-CG1 3.87Å; I358-I375 HydrophobicContact CD1-CB 4.5Å; I358-I375 HydrophobicContact CD1-CG1 4.32Å; I358-I375 HydrophobicContact CD1-CG2 4.2Å; I360-I375 HydrophobicContact CD1-CG1 4.18Å; I371-I375 HydrophobicContact CG2-CD1 3.88Å; I371-I375 HydrophobicContact CG2-CG1 4.49Å; I371-I375 VanDerWaalsContact O-CG1 3.29Å; I371-I375 WeakPolarHBondContact O-CG1 3.19Å; I371-I375 PolarHBondContact O-N 3.34Å; V372-I375 PolarHBondContact O-N 2.98Å; T373-I375 VanDerWaalsContact C-N 3.33Å; T373-I375 PolarHBondContact O-N 3.49Å; I375-V379 HydrophobicContact CG2-CG2 4.14Å; I375-V379 WeakPolarHBondContact O-CB 3.27Å; I375-V379 WeakPolarHBondContact O-CG2 3.44Å; I375-V379 PolarHBondContact O-N 2.91Å
376F98.3Very high96.8Very high0 Ų037.6 Ų37.60%020%0.197CC..Hα-helixtrans-61.1-47.3175.8157.8-93.8000111.8M329 A332 I333 V372 T373 E374 E378 V379 A380 L384 I390 F417M329-F376 HydrophobicContact CE-CB 4.49Å; M329-F376 HydrophobicContact CE-CD1 4.15Å; M329-F376 HydrophobicContact CE-CG 4.34Å; M329-F376 HydrophobicContact CG-CB 3.64Å; M329-F376 HydrophobicContact CG-CD2 4.07Å; M329-F376 HydrophobicContact CG-CG 3.8Å; M329-F376 HydrophobicContact SD-CB 4.14Å; A332-F376 HydrophobicContact CB-CD2 3.94Å; A332-F376 HydrophobicContact CB-CE2 3.91Å; I333-F376 HydrophobicContact CD1-CB 3.98Å; I333-F376 HydrophobicContact CG1-CB 3.84Å; V372-F376 PolarHBondContact O-N 3.14Å; T373-F376 WeakPolarHBondContact O-CA 3.48Å; T373-F376 WeakPolarHBondContact O-CB 3.35Å; T373-F376 PolarHBondContact O-N 2.88Å; E374-F376 VanDerWaalsContact C-N 3.31Å; E374-F376 PolarHBondContact O-N 2.91Å; F376-E378 VanDerWaalsContact C-N 3.33Å; F376-E378 PolarHBondContact O-N 2.96Å; F376-V379 PolarHBondContact O-N 3.25Å; F376-A380 HydrophobicContact CD2-CB 3.64Å; F376-A380 HydrophobicContact CE2-CB 3.65Å; F376-A380 WeakPolarHBondContact O-CB 3.24Å; F376-A380 PolarHBondContact O-N 3.28Å; F376-L384 HydrophobicContact CE2-CD1 4.22Å; F376-L384 HydrophobicContact CZ-CD1 3.98Å; F376-I390 HydrophobicContact CD2-CG2 4.34Å; F376-I390 HydrophobicContact CE2-CB 4.34Å; F376-I390 HydrophobicContact CE2-CD1 4Å; F376-I390 HydrophobicContact CE2-CG1 3.78Å; F376-I390 HydrophobicContact CE2-CG2 3.77Å; F376-I390 HydrophobicContact CZ-CB 4.2Å; F376-I390 HydrophobicContact CZ-CD1 4.41Å; F376-I390 HydrophobicContact CZ-CG1 3.71Å; F376-I390 HydrophobicContact CZ-CG2 3.91Å; F376-F417 HydrophobicContact CE1-CE2 4.27Å; F376-F417 AromaticContact CE1-CZ 3.86Å; F376-F417 HydrophobicContact CE1-CZ 3.86Å; F376-F417 AromaticContact CZ-CE2 3.91Å; F376-F417 HydrophobicContact CZ-CE2 3.91Å; F376-F417 AromaticContact CZ-CZ 3.87Å; F376-F417 HydrophobicContact CZ-CZ 3.87Å
377D96.9Very high97.2Very high52 Ų5235.7 Ų35.728%0.27819%0.191SC..Hα-helixtrans-57.9-47.1-178.4-68.8-20.4000110.9T373 E374 E381T373-D377 PolarHBondContact O-N 3.08Å; E374-D377 PolarHBondContact O-N 3.03Å; D377-E381 VanDerWaalsContact O-CB 3.3Å; D377-E381 WeakPolarHBondContact O-CB 3.41Å
378E97.1Very high97.5Very high126 Ų12634.8 Ų34.859%0.58918%0.18SC*.Hα-helixtrans-69.9-40.1-180-172.461.8-148.700112.7I358 I360 E374 F376I358-E378 HydrophobicContact CD1-CB 4.26Å; I358-E378 HydrophobicContact CD1-CG 4.22Å; I360-E378 HydrophobicContact CD1-CB 3.9Å; I360-E378 HydrophobicContact CD1-CG 4.43Å; I360-E378 HydrophobicContact CG1-CB 4.24Å; I360-E378 HydrophobicContact CG1-CG 4.36Å; E374-E378 PolarHBondContact O-N 2.76Å; E374-E378 VanDerWaalsContact O-N 3.11Å; F376-E378 VanDerWaalsContact C-N 3.33Å; F376-E378 PolarHBondContact O-N 2.96Å
379V97.4Very high97.6Very high16 Ų1632.3 Ų32.310%0.09717%0.168CC..Hα-helixtrans-86.2-35.7-171.1168.30000113Y336 R337 I358 I375 F376 H383Y336-V379 WeakPolarHBondContact CB-O 3.46Å; R337-V379 HydrophobicContact CB-CG1 3.5Å; R337-V379 VanDerWaalsContact CB-CG1 3.5Å; R337-V379 HydrophobicContact CB-CG2 4.4Å; I358-V379 HydrophobicContact CD1-CG2 3.67Å; I375-V379 HydrophobicContact CG2-CG2 4.14Å; I375-V379 WeakPolarHBondContact O-CB 3.27Å; I375-V379 WeakPolarHBondContact O-CG2 3.44Å; I375-V379 PolarHBondContact O-N 2.91Å; F376-V379 PolarHBondContact O-N 3.25Å; V379-H383 PolarHBondContact O-CD2 3.23Å; V379-H383 VanDerWaalsContact O-CD2 3.24Å
380A97.9Very high97.7Very high0 Ų031.8 Ų31.80%016%0.162CC..THydrogen-bonded Turntrans-116.7-39-164.600000113.9A332 Y336 F376 A382 H383A332-A380 HydrophobicContact CB-CB 4.1Å; Y336-A380 HydrophobicContact CD2-CB 3.62Å; Y336-A380 HydrophobicContact CE2-CB 4.31Å; Y336-A380 HydrophobicContact CG-CB 4.36Å; F376-A380 HydrophobicContact CD2-CB 3.64Å; F376-A380 HydrophobicContact CE2-CB 3.65Å; F376-A380 WeakPolarHBondContact O-CB 3.24Å; F376-A380 PolarHBondContact O-N 3.28Å; A380-A382 VanDerWaalsContact C-N 3.34Å; A380-A382 PolarHBondContact O-N 3.27Å; A380-H383 WeakPolarHBondContact O-CB 3.38Å; A380-H383 PolarHBondContact O-N 3.36Å
381E96.5Very high97.9Very high49 Ų4928.4 Ų28.423%0.22915%0.151CC..G310 helixtrans-50.5-51.6-167-173.1-171.6164.900111.9D377 H383 L384 F417 G420D377-E381 VanDerWaalsContact O-CB 3.3Å; D377-E381 WeakPolarHBondContact O-CB 3.41Å; E381-H383 PolarHBondContact O-N 3Å; E381-L384 WeakPolarHBondContact O-CB 3.48Å; E381-L384 PolarHBondContact O-N 3.39Å; E381-F417 HydrophobicContact CG-CD1 3.91Å; E381-F417 HydrophobicContact CG-CE1 3.74Å; E381-G420 WeakPolarHBondContact O-CA 3.48Å
382A96.5Very high97.9Very high71 Ų7131.7 Ų31.759%0.58717%0.166SC*.G310 helixtrans-61.4-20-176.800000114.1A380 I385A380-A382 VanDerWaalsContact C-N 3.34Å; A380-A382 PolarHBondContact O-N 3.27Å; A382-I385 WeakPolarHBondContact O-CD1 3.39Å
383H97.9Very high97.9Very high102 Ų10231.4 Ų31.447%0.47217%0.165SC..G310 helixtrans-92.1-8.1179.8-58.6-57.5000113.9Y336 V379 A380 E381 I385Y336-H383 HydrophobicContact CD1-CB 3.49Å; Y336-H383 VanDerWaalsContact CD1-CB 3.49Å; Y336-H383 AromaticContact CD1-CD2 3.54Å; Y336-H383 AromaticContact CD1-CG 3.64Å; Y336-H383 HydrophobicContact CD2-CB 4.49Å; Y336-H383 HydrophobicContact CE1-CB 3.2Å; Y336-H383 AromaticContact CE1-CG 3.85Å; Y336-H383 HydrophobicContact CE2-CB 4.28Å; Y336-H383 HydrophobicContact CG-CB 4.15Å; Y336-H383 AromaticContact CG-CD2 3.84Å; V379-H383 PolarHBondContact O-CD2 3.23Å; V379-H383 VanDerWaalsContact O-CD2 3.24Å; A380-H383 WeakPolarHBondContact O-CB 3.38Å; A380-H383 PolarHBondContact O-N 3.36Å; E381-H383 PolarHBondContact O-N 3Å; H383-I385 PolarHBondContact O-N 3.01Å
384L97.8Very high97.9Very high1 Ų131.5 Ų31.51%0.00517%0.165CC..  trans-79.266.9179.2-54.3-178.4000110.9Y336 F376 E381 T388 I390 F417 G419 G420Y336-L384 HydrophobicContact CE2-CD2 3.77Å; F376-L384 HydrophobicContact CE2-CD1 4.22Å; F376-L384 HydrophobicContact CZ-CD1 3.98Å; E381-L384 WeakPolarHBondContact O-CB 3.48Å; E381-L384 PolarHBondContact O-N 3.39Å; L384-T388 HydrophobicContact CD2-CG2 4.13Å; L384-I390 HydrophobicContact CD1-CD1 3.81Å; L384-I390 HydrophobicContact CD1-CG1 3.65Å; L384-I390 HydrophobicContact CD2-CD1 4.18Å; L384-F417 HydrophobicContact CB-CB 3.77Å; L384-F417 HydrophobicContact CB-CG 4.44Å; L384-F417 HydrophobicContact CD1-CB 3.73Å; L384-F417 HydrophobicContact CD1-CD1 4.07Å; L384-F417 HydrophobicContact CD1-CD2 3.65Å; L384-F417 HydrophobicContact CD1-CE2 4.24Å; L384-F417 HydrophobicContact CD1-CG 3.55Å; L384-F417 HydrophobicContact CG-CB 4.41Å; L384-G419 PolarHBondContact O-N 3.5Å; L384-G420 PolarHBondContact O-N 3.46Å
385I97.6Very high97.8Very high43 Ų4330.2 Ų30.222%0.22116%0.162CC..  trans-77.3-48.2-174.3-57.1-55.6000112.1H316 F318 A382 H383 G419H316-I385 HydrophobicContact CB-CG2 4.03Å; F318-I385 VanDerWaalsContact CD1-O 3.29Å; F318-I385 WeakPolarHBondContact CD1-O 3.39Å; F318-I385 HydrophobicContact CE1-CG2 4.04Å; F318-I385 WeakPolarHBondContact CE1-O 3.35Å; A382-I385 WeakPolarHBondContact O-CD1 3.39Å; H383-I385 PolarHBondContact O-N 3.01Å; I385-G419 PolarHBondContact O-N 3.4Å
386Q98.1Very high97.5Very high60 Ų6034 Ų3428%0.2818%0.179SC..SBendtrans-75.1161.9174-68.9-58.3-56.100110.4V317 D319 T388V317-Q386 PolarHBondContact O-NE2 2.98Å; D319-Q386 VanDerWaalsContact N-OE1 3.11Å; Q386-T388 PolarHBondContact O-N 3.45Å; Q386-T388 PolarHBondContact O-OG1 3.42Å; Q386-T388 VanDerWaalsContact O-OG1 3.12Å
387P98.6Very high97.3Very high4 Ų435.4 Ų35.43%0.02619%0.188CC..  trans-53.6113.2171.6-27.437.5000111.7F320 F324 E325 F416 F417 I418F320-P387 HydrophobicContact CD1-CG 3.68Å; F320-P387 HydrophobicContact CE1-CB 4.44Å; F320-P387 HydrophobicContact CE1-CG 3.54Å; F324-P387 HydrophobicContact CB-CB 4.16Å; F324-P387 WeakPolarHBondContact CB-O 3.44Å; F324-P387 HydrophobicContact CD1-CB 3.65Å; F324-P387 HydrophobicContact CD1-CG 4.27Å; F324-P387 HydrophobicContact CD2-CB 3.58Å; F324-P387 HydrophobicContact CE1-CB 3.94Å; F324-P387 HydrophobicContact CE1-CG 4.21Å; F324-P387 HydrophobicContact CE2-CB 3.84Å; F324-P387 HydrophobicContact CG-CB 3.51Å; F324-P387 HydrophobicContact CZ-CB 4.04Å; F324-P387 HydrophobicContact CZ-CG 4.39Å; E325-P387 PolarHBondContact N-O 3.42Å; P387-F416 HydrophobicContact CB-CE2 3.74Å; P387-F416 HydrophobicContact CB-CZ 3.89Å; P387-F417 WeakPolarHBondContact CA-O 3.31Å; P387-I418 HydrophobicContact CB-CG1 4.48Å; P387-I418 HydrophobicContact CG-CG2 4.41Å
388T98.8Very high97.2Very high2 Ų233.1 Ų33.11%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-135.7129.2-175.9-57.70000111E325 L327 L384 Q386 I390 F416 F417E325-T388 HydrophobicContact CB-CG2 3.94Å; E325-T388 CarbonylContact O-C 3.57Å; E325-T388 WeakPolarHBondContact O-CA 3.36Å; L327-T388 HydrophobicContact CD1-CG2 4.44Å; L384-T388 HydrophobicContact CD2-CG2 4.13Å; Q386-T388 PolarHBondContact O-N 3.45Å; Q386-T388 PolarHBondContact O-OG1 3.42Å; Q386-T388 VanDerWaalsContact O-OG1 3.12Å; T388-I390 HydrophobicContact CG2-CD1 3.88Å; T388-F416 WeakPolarHBondContact O-CD2 3.47Å; T388-F417 PolarHBondContact N-O 3Å; T388-F417 PolarHBondContact O-N 3.48Å
389F98.9Very high97.1Very high0 Ų027.9 Ų27.90%015%0.153CC..EExtended strand (participates in β ladder)trans-89.9127166.7-63-78000109.7I291 T294 F324 E325 K326 L327 F414 E415 F416I291-F389 HydrophobicContact CB-CE1 4.49Å; I291-F389 HydrophobicContact CB-CZ 4.42Å; I291-F389 HydrophobicContact CD1-CB 4.47Å; I291-F389 HydrophobicContact CD1-CG 4.46Å; I291-F389 HydrophobicContact CG1-CD1 3.9Å; I291-F389 HydrophobicContact CG1-CD2 4.49Å; I291-F389 HydrophobicContact CG1-CE1 4.12Å; I291-F389 HydrophobicContact CG1-CG 4.09Å; I291-F389 HydrophobicContact CG2-CD2 3.81Å; I291-F389 HydrophobicContact CG2-CE2 3.7Å; I291-F389 HydrophobicContact CG2-CG 4.24Å; I291-F389 HydrophobicContact CG2-CZ 4.07Å; T294-F389 HydrophobicContact CG2-CE1 3.95Å; T294-F389 HydrophobicContact CG2-CZ 3.94Å; F324-F389 HydrophobicContact CB-CD2 3.97Å; F324-F389 HydrophobicContact CB-CE2 3.69Å; F324-F389 AromaticContact CD2-CE2 3.6Å; F324-F389 HydrophobicContact CD2-CE2 3.6Å; F324-F389 AromaticContact CD2-CZ 3.96Å; F324-F389 HydrophobicContact CD2-CZ 3.96Å; F324-F389 HydrophobicContact CG-CE2 4.12Å; E325-F389 PolarHBondContact O-N 3.27Å; K326-F389 WeakPolarHBondContact CA-O 3.47Å; K326-F389 HydrophobicContact CG-CB 4.46Å; K326-F389 HydrophobicContact CG-CD2 4.31Å; L327-F389 PolarHBondContact N-O 2.97Å; F389-F414 AromaticContact CD1-CD2 3.52Å; F389-F414 HydrophobicContact CD1-CD2 3.52Å; F389-F414 AromaticContact CD1-CE2 3.75Å; F389-F414 HydrophobicContact CD1-CE2 3.75Å; F389-F414 HydrophobicContact CD1-CG 4.31Å; F389-F414 HydrophobicContact CE1-CD2 4Å; F389-F414 AromaticContact CE1-CE2 3.71Å; F389-F414 HydrophobicContact CE1-CE2 3.71Å; F389-F414 HydrophobicContact CE1-CZ 4.47Å; F389-E415 WeakPolarHBondContact CA-O 3.48Å; F389-F416 HydrophobicContact CD1-CB 3.87Å; F389-F416 AromaticContact CD1-CD2 3.76Å; F389-F416 HydrophobicContact CD1-CD2 3.76Å; F389-F416 HydrophobicContact CD1-CG 4.09Å; F389-F416 HydrophobicContact CD2-CD2 4.46Å; F389-F416 HydrophobicContact CE1-CB 3.82Å; F389-F416 AromaticContact CE1-CD2 3.6Å; F389-F416 HydrophobicContact CE1-CD2 3.6Å; F389-F416 HydrophobicContact CE1-CE2 4.34Å; F389-F416 AromaticContact CE1-CG 3.75Å; F389-F416 HydrophobicContact CE1-CG 3.75Å; F389-F416 HydrophobicContact CE2-CD2 4.33Å; F389-F416 HydrophobicContact CE2-CE2 4.43Å; F389-F416 HydrophobicContact CG-CD2 4.21Å; F389-F416 AromaticContact CZ-CD2 3.92Å; F389-F416 HydrophobicContact CZ-CD2 3.92Å; F389-F416 HydrophobicContact CZ-CE2 4.2Å; F389-F416 HydrophobicContact CZ-CG 4.35Å
390I98.8Very high97Very high0 Ų027.5 Ų27.50%015%0.15CC..EExtended strand (participates in β ladder)trans-101.7125.6168.4-56.9-59.6000107.4L327 M329 A332 F376 L384 T388 Y393 F414 E415 F417L327-I390 HydrophobicContact CB-CD1 4.03Å; L327-I390 CarbonylContact O-C 3.44Å; L327-I390 VanDerWaalsContact O-CA 3.22Å; L327-I390 WeakPolarHBondContact O-CA 3.34Å; M329-I390 HydrophobicContact CB-CG2 4Å; A332-I390 HydrophobicContact CB-CD1 3.94Å; F376-I390 HydrophobicContact CD2-CG2 4.34Å; F376-I390 HydrophobicContact CE2-CB 4.34Å; F376-I390 HydrophobicContact CE2-CD1 4Å; F376-I390 HydrophobicContact CE2-CG1 3.78Å; F376-I390 HydrophobicContact CE2-CG2 3.77Å; F376-I390 HydrophobicContact CZ-CB 4.2Å; F376-I390 HydrophobicContact CZ-CD1 4.41Å; F376-I390 HydrophobicContact CZ-CG1 3.71Å; F376-I390 HydrophobicContact CZ-CG2 3.91Å; L384-I390 HydrophobicContact CD1-CD1 3.81Å; L384-I390 HydrophobicContact CD1-CG1 3.65Å; L384-I390 HydrophobicContact CD2-CD1 4.18Å; T388-I390 HydrophobicContact CG2-CD1 3.88Å; I390-Y393 HydrophobicContact CB-CE2 4.22Å; I390-Y393 HydrophobicContact CG2-CE2 3.86Å; I390-Y393 WeakPolarHBondContact O-CE2 3.22Å; I390-F414 CarbonylContact O-C 3.54Å; I390-F414 WeakPolarHBondContact O-CA 3.39Å; I390-F414 VanDerWaalsContact O-CB 3.29Å; I390-F414 WeakPolarHBondContact O-CB 3.43Å; I390-E415 PolarHBondContact N-O 3.12Å; I390-E415 PolarHBondContact O-N 2.98Å; I390-F417 HydrophobicContact CB-CD2 4.3Å; I390-F417 HydrophobicContact CB-CE2 3.96Å; I390-F417 HydrophobicContact CG1-CD2 3.66Å; I390-F417 HydrophobicContact CG1-CE2 3.67Å
391T98.8Very high97.1Very high13 Ų1327.6 Ų27.68%0.0815%0.151CC..EExtended strand (participates in β ladder)trans-117.7171.4-174.666.30000112.4Y287 I291 L327 T328 M329 R413 F414Y287-T391 HydrophobicContact CE2-CG2 3.98Å; I291-T391 HydrophobicContact CD1-CG2 4.11Å; L327-T391 PolarHBondContact O-N 2.94Å; T328-T391 CarbonylContact C-O 3.51Å; T328-T391 WeakPolarHBondContact CA-O 3.31Å; M329-T391 PolarHBondContact N-O 3.27Å; T391-R413 CarbonylContact C-O 3.57Å; T391-R413 WeakPolarHBondContact CA-O 3.38Å; T391-F414 HydrophobicContact CG2-CB 3.98Å
392E98.3Very high97.2Very high69 Ų6928.9 Ų28.932%0.32215%0.153SC..  trans66.752.8171.6-58.6-179.3-160.500113.4T328 I410 R413T328-E392 HydrophobicContact CG2-CG 4.11Å; T328-E392 VanDerWaalsContact CG2-OE1 3.29Å; T328-E392 WeakPolarHBondContact CG2-OE1 3.23Å; E392-I410 HydrophobicContact CB-CD1 3.73Å; E392-I410 HydrophobicContact CG-CD1 3.8Å; E392-R413 PolarHBondContact N-O 3.28Å
393Y98.5Very high97.2Very high1 Ų129.6 Ų29.60%0.00414%0.141CC..  trans-70.4142.2177.4-79.8-116.1000110.8M329 I390 V397 I410 T411 R413 E415M329-Y393 HydrophobicContact CE-CD1 3.3Å; M329-Y393 HydrophobicContact CE-CD2 4.04Å; M329-Y393 HydrophobicContact CE-CE1 3.27Å; M329-Y393 HydrophobicContact CE-CE2 3.97Å; M329-Y393 HydrophobicContact CE-CG 3.69Å; I390-Y393 HydrophobicContact CB-CE2 4.22Å; I390-Y393 HydrophobicContact CG2-CE2 3.86Å; I390-Y393 WeakPolarHBondContact O-CE2 3.22Å; Y393-V397 HydrophobicContact CD1-CG2 4.35Å; Y393-I410 CarbonylContact O-C 3.54Å; Y393-I410 WeakPolarHBondContact O-CA 3.3Å; Y393-T411 PolarHBondContact O-N 2.94Å; Y393-T411 PolarHBondContact O-OG1 2.96Å; Y393-R413 HydrophobicContact CD2-CG 4.19Å; Y393-R413 HydrophobicContact CG-CG 4.2Å; Y393-E415 HydrophobicContact CE1-CG 4.04Å; Y393-E415 WeakPolarHBondContact CE1-OE2 3.44Å; Y393-E415 HydrophobicContact CE2-CB 4.32Å; Y393-E415 HydrophobicContact CE2-CG 4.16Å; Y393-E415 VanDerWaalsContact CZ-OE2 3.25Å; Y393-E415 WeakPolarHBondContact OH-CB 3.36Å; Y393-E415 VanDerWaalsContact OH-CD 3.29Å; Y393-E415 WeakPolarHBondContact OH-CG 3.39Å; Y393-E415 PolarHBondContact OH-OE2 3.33Å
394P97.7Very high97.3Very high13 Ų1326.5 Ų26.58%0.08413%0.128CC..BIsolated β-bridgetrans-55145.8174.1-26.435.7000112.8M329 G369 E396 V397 S398 E409M329-P394 HydrophobicContact SD-CG 4.37Å; G369-P394 VanDerWaalsContact CA-CB 3.42Å; P394-E396 VanDerWaalsContact C-N 3.27Å; P394-E396 PolarHBondContact O-N 3.22Å; P394-V397 HydrophobicContact CB-CG2 4.31Å; P394-V397 VanDerWaalsContact O-CG2 3.31Å; P394-V397 WeakPolarHBondContact O-CG2 3.33Å; P394-V397 PolarHBondContact O-N 3.17Å; P394-S398 WeakPolarHBondContact O-CB 3.27Å; P394-S398 PolarHBondContact O-OG 3.04Å; P394-E409 WeakPolarHBondContact CA-O 3.49Å
395A95Very high97.3Very high13 Ų1332.2 Ų32.211%0.10716%0.159CC..G310 helixtrans-61.7-35.7-179.900000112.7V397 S398 R403 E409 T411A395-V397 PolarHBondContact O-N 2.97Å; A395-S398 CarbonylContact O-C 3.52Å; A395-S398 PolarHBondContact O-N 3.48Å; A395-R403 HydrophobicContact CB-CG 4.46Å; A395-E409 PolarHBondContact N-O 2.94Å; A395-T411 HydrophobicContact CB-CG2 3.98Å
396E92.3Very high97.3Very high80 Ų8036.8 Ų36.837%0.37419%0.188SC..G310 helixtrans-53.4-38.1178.3-172.6-173.7159.300113.3G367 L368 G369 R370 P394G367-E396 VanDerWaalsContact CA-OE1 3.23Å; G367-E396 WeakPolarHBondContact CA-OE1 3.41Å; G367-E396 VanDerWaalsContact CA-OE2 3.22Å; G367-E396 WeakPolarHBondContact CA-OE2 3.12Å; G367-E396 PolarHBondContact N-OE1 3.07Å; L368-E396 PolarHBondContact N-OE2 2.83Å; G369-E396 VanDerWaalsContact CA-OE2 3.3Å; G369-E396 WeakPolarHBondContact CA-OE2 3.42Å; G369-E396 PolarHBondContact N-OE2 2.74Å; R370-E396 VanDerWaalsContact CB-OE1 3.3Å; R370-E396 WeakPolarHBondContact CB-OE1 3.46Å; R370-E396 PolarHBondContact N-OE2 3.15Å; R370-E396 VanDerWaalsContact N-OE2 3.08Å; P394-E396 VanDerWaalsContact C-N 3.27Å; P394-E396 PolarHBondContact O-N 3.22Å
397V93.5Very high97.2Very high29 Ų2937 Ų3718%0.17619%0.191CC..G310 helixtrans-97.17.6-177.9-59.10000113.2R370 T373 Y393 P394 A395 R413R370-V397 HydrophobicContact CB-CG1 4.07Å; T373-V397 WeakPolarHBondContact OG1-CG2 3.46Å; Y393-V397 HydrophobicContact CD1-CG2 4.35Å; P394-V397 HydrophobicContact CB-CG2 4.31Å; P394-V397 VanDerWaalsContact O-CG2 3.31Å; P394-V397 WeakPolarHBondContact O-CG2 3.33Å; P394-V397 PolarHBondContact O-N 3.17Å; A395-V397 PolarHBondContact O-N 2.97Å; V397-R413 PolarHBondContact O-NH1 2.84Å
398S95.5Very high97.1Very high3 Ų339.8 Ų39.82%0.02121%0.209CC..  trans-133.661.7-169.5-51.20000111.4P394 A395 L400 A401 T411 R413 R439P394-S398 WeakPolarHBondContact O-CB 3.27Å; P394-S398 PolarHBondContact O-OG 3.04Å; A395-S398 CarbonylContact O-C 3.52Å; A395-S398 PolarHBondContact O-N 3.48Å; S398-L400 PolarHBondContact O-N 3.19Å; S398-L400 VanDerWaalsContact O-N 3.07Å; S398-A401 PolarHBondContact O-N 3.17Å; S398-T411 VanDerWaalsContact CB-OG1 3.25Å; S398-T411 WeakPolarHBondContact CB-OG1 3.22Å; S398-T411 PolarHBondContact OG-OG1 2.93Å; S398-R413 WeakPolarHBondContact OG-CD 3.44Å; S398-R413 PolarHBondContact OG-NH1 3.07Å; S398-R439 PolarHBondContact O-NH1 2.87Å
399P94.3Very high96.9Very high17 Ų1746 Ų4611%0.1124%0.238CC..THydrogen-bonded Turntrans-67.2-13.7-167.527-36.4000115.2Q436 R439 Q443 M455P399-Q436 PolarHBondContact O-NE2 2.78Å; P399-R439 VanDerWaalsContact O-CD 3.23Å; P399-R439 WeakPolarHBondContact O-CD 3.47Å; P399-Q443 HydrophobicContact CB-CG 4.28Å; P399-M455 HydrophobicContact CB-SD 4.38Å; P399-M455 HydrophobicContact CG-CE 3.62Å; P399-M455 HydrophobicContact CG-SD 3.94Å
400L96.5Very high96.8Very high8 Ų846.8 Ų46.84%0.04224%0.242CC..THydrogen-bonded Turntrans-114.9-1.9-178.1-57.2177.2000112.9E241 L242 S398 F427 L430 Q436 F440 M455E241-L400 HydrophobicContact CG-CD1 4.34Å; E241-L400 WeakPolarHBondContact OE1-CB 3.28Å; E241-L400 WeakPolarHBondContact OE1-CD1 3.26Å; L242-L400 HydrophobicContact CD2-CD1 4.4Å; L242-L400 HydrophobicContact CD2-CD2 4.43Å; S398-L400 PolarHBondContact O-N 3.19Å; S398-L400 VanDerWaalsContact O-N 3.07Å; L400-F427 HydrophobicContact CB-CE2 4.14Å; L400-F427 HydrophobicContact CB-CZ 4.42Å; L400-L430 WeakPolarHBondContact O-CB 3.39Å; L400-L430 PolarHBondContact O-N 3.02Å; L400-Q436 VanDerWaalsContact CD2-OE1 3.3Å; L400-F440 HydrophobicContact CD2-CE1 4.01Å; L400-F440 HydrophobicContact CD2-CZ 4.39Å; L400-M455 HydrophobicContact CD1-CE 3.79Å; L400-M455 HydrophobicContact CD1-SD 4.2Å; L400-M455 HydrophobicContact CD2-SD 4.28Å; L400-M455 HydrophobicContact CG-CE 4.11Å; L400-M455 HydrophobicContact CG-SD 4.23Å
401A98.2Very high96.8Very high1 Ų146.8 Ų46.81%0.00824%0.242CC..BIsolated β-bridgetrans-96.7142.1-177.400000111.6S398 T411 R413 F427 R439S398-A401 PolarHBondContact O-N 3.17Å; A401-T411 HydrophobicContact CB-CG2 4.1Å; A401-R413 HydrophobicContact CB-CB 4.18Å; A401-F427 HydrophobicContact CB-CB 3.73Å; A401-F427 HydrophobicContact CB-CD1 4.48Å; A401-F427 HydrophobicContact CB-CD2 3.89Å; A401-F427 HydrophobicContact CB-CG 3.8Å; A401-R439 PolarHBondContact O-NH1 2.77Å; A401-R439 PolarHBondContact O-NH2 2.78Å
402R98.5Very high96.8Very high77 Ų7746.8 Ų46.829%0.29124%0.242SC..PPolyproline II helixtrans-62.4134.5175.7-173.5-175.1178.1-91.9-5110.9D405 T411 D412 S428R402-D405 IonicContact CZ-OD1 2.76Å; R402-D405 IonicContact CZ-OD2 3.53Å; R402-D405 IonicContact NH1-OD1 3.18Å; R402-D405 IonicContact NH1-OD2 2.69Å; R402-D405 PolarHBondContact NH1-OD2 2.74Å; R402-D405 IonicContact NH2-OD1 3.77Å; R402-D405 PolarHBondContact NH2-OD1 3.4Å; R402-D405 IonicContact NH2-OD2 2.74Å; R402-D405 PolarHBondContact NH2-OD2 2.7Å; R402-T411 CarbonylContact O-C 3.5Å; R402-T411 WeakPolarHBondContact O-CA 3.14Å; R402-T411 VanDerWaalsContact O-CB 3.25Å; R402-T411 WeakPolarHBondContact O-CB 3.29Å; R402-D412 IonicContact NH1-OD2 3.47Å; R402-D412 PolarHBondContact NH1-OD2 3.5Å; R402-D412 VanDerWaalsContact NH1-OD2 3.09Å; R402-D412 PolarHBondContact O-N 3.23Å; R402-S428 VanDerWaalsContact CB-O 3.27Å; R402-S428 WeakPolarHBondContact CB-O 3.17Å; R402-S428 PolarHBondContact N-O 2.68Å
403R98.3Very high96.8Very high85 Ų8544.7 Ų44.732%0.32123%0.231SC..BIsolated β-bridgetrans-64.9146.9171.1-77.2174.7-169.9-116.910.7110.5A395 P408 I410A395-R403 HydrophobicContact CB-CG 4.46Å; R403-P408 WeakPolarHBondContact CD-O 3.29Å; R403-P408 WeakPolarHBondContact CG-O 3.43Å; R403-P408 PolarHBondContact NH1-O 2.9Å; R403-I410 WeakPolarHBondContact CA-O 3.05Å
404N98.5Very high96.9Very high37 Ų3744.7 Ų44.720%0.19823%0.231CC..PPolyproline II helixtrans-70.4140.4173-176.8-93.7000110.8V406 N407 I410 D412N404-V406 VanDerWaalsContact C-N 3.33Å; N404-V406 PolarHBondContact O-N 3.09Å; N404-V406 PolarHBondContact OD1-N 2.93Å; N404-N407 WeakPolarHBondContact CB-O 3.49Å; N404-N407 CarbonylContact O-C 3.58Å; N404-N407 PolarHBondContact OD1-N 3.14Å; N404-I410 HydrophobicContact CB-CD1 4.09Å; N404-I410 HydrophobicContact CB-CG1 3.77Å; N404-I410 PolarHBondContact N-O 2.96Å; N404-D412 WeakPolarHBondContact CA-OD1 3.24Å; N404-D412 WeakPolarHBondContact CB-OD1 3.37Å; N404-D412 PolarHBondContact ND2-OD1 3.01Å
405D97.9Very high96.9Very high122 Ų12245.2 Ų45.265%0.65223%0.232SC*.SBendtrans-67.5-30.7-176.3-68.3-53.9000113.8R402R402-D405 IonicContact CZ-OD1 2.76Å; R402-D405 IonicContact CZ-OD2 3.53Å; R402-D405 IonicContact NH1-OD1 3.18Å; R402-D405 IonicContact NH1-OD2 2.69Å; R402-D405 PolarHBondContact NH1-OD2 2.74Å; R402-D405 IonicContact NH2-OD1 3.77Å; R402-D405 PolarHBondContact NH2-OD1 3.4Å; R402-D405 IonicContact NH2-OD2 2.74Å; R402-D405 PolarHBondContact NH2-OD2 2.7Å
406V97.9Very high97.1Very high138 Ų13844.7 Ų44.784%0.83623%0.227SC*.SBendtrans-90.6-39.2-177.6-179.80000110.8N404N404-V406 VanDerWaalsContact C-N 3.33Å; N404-V406 PolarHBondContact O-N 3.09Å; N404-V406 PolarHBondContact OD1-N 2.93Å
407N96Very high97.4Very high64 Ų6441 Ų4134%0.34221%0.21SC..  trans-127.892.2179.6-178.214000111.2N404 E409 I410N404-N407 WeakPolarHBondContact CB-O 3.49Å; N404-N407 CarbonylContact O-C 3.58Å; N404-N407 PolarHBondContact OD1-N 3.14Å; N407-E409 PolarHBondContact O-N 2.79Å; N407-E409 WeakPolarHBondContact OD1-CB 3.5Å; N407-E409 PolarHBondContact OD1-N 2.87Å; N407-I410 HydrophobicContact CB-CD1 4.22Å; N407-I410 HydrophobicContact CB-CG1 3.95Å; N407-I410 WeakPolarHBondContact O-CG1 3.48Å; N407-I410 PolarHBondContact O-N 2.83Å; N407-I410 VanDerWaalsContact O-N 3.13Å
408P96.4Very high97.6Very high64 Ų6439.6 Ų39.642%0.41620%0.202SC..THydrogen-bonded Turntrans-69-5.6-175.728.8-36.3000114.7R403 I410R403-P408 WeakPolarHBondContact CD-O 3.29Å; R403-P408 WeakPolarHBondContact CG-O 3.43Å; R403-P408 PolarHBondContact NH1-O 2.9Å; P408-I410 VanDerWaalsContact C-N 3.26Å
409E95Very high97.6Very high133 Ų13340.1 Ų40.162%0.62121%0.207SC*.THydrogen-bonded Turntrans-76.1-16173.4-62.4-58.4123.100112.6P394 A395 N407P394-E409 WeakPolarHBondContact CA-O 3.49Å; A395-E409 PolarHBondContact N-O 2.94Å; N407-E409 PolarHBondContact O-N 2.79Å; N407-E409 WeakPolarHBondContact OD1-CB 3.5Å; N407-E409 PolarHBondContact OD1-N 2.87Å
410I97.7Very high97.7Very high16 Ų1639.7 Ų39.78%0.08221%0.207CC..BIsolated β-bridgetrans-114.4167.517460.4165.6000110.9E392 Y393 R403 N404 N407 P408E392-I410 HydrophobicContact CB-CD1 3.73Å; E392-I410 HydrophobicContact CG-CD1 3.8Å; Y393-I410 CarbonylContact O-C 3.54Å; Y393-I410 WeakPolarHBondContact O-CA 3.3Å; R403-I410 WeakPolarHBondContact CA-O 3.05Å; N404-I410 HydrophobicContact CB-CD1 4.09Å; N404-I410 HydrophobicContact CB-CG1 3.77Å; N404-I410 PolarHBondContact N-O 2.96Å; N407-I410 HydrophobicContact CB-CD1 4.22Å; N407-I410 HydrophobicContact CB-CG1 3.95Å; N407-I410 WeakPolarHBondContact O-CG1 3.48Å; N407-I410 PolarHBondContact O-N 2.83Å; N407-I410 VanDerWaalsContact O-N 3.13Å; P408-I410 VanDerWaalsContact C-N 3.26Å
411T98.5Very high97.6Very high0 Ų041.7 Ų41.70%021%0.214CC..BIsolated β-bridgetrans-121153.3176.954.50000111.1Y393 A395 S398 A401 R402 R413Y393-T411 PolarHBondContact O-N 2.94Å; Y393-T411 PolarHBondContact O-OG1 2.96Å; A395-T411 HydrophobicContact CB-CG2 3.98Å; S398-T411 VanDerWaalsContact CB-OG1 3.25Å; S398-T411 WeakPolarHBondContact CB-OG1 3.22Å; S398-T411 PolarHBondContact OG-OG1 2.93Å; A401-T411 HydrophobicContact CB-CG2 4.1Å; R402-T411 CarbonylContact O-C 3.5Å; R402-T411 WeakPolarHBondContact O-CA 3.14Å; R402-T411 VanDerWaalsContact O-CB 3.25Å; R402-T411 WeakPolarHBondContact O-CB 3.29Å; T411-R413 PolarHBondContact O-N 3.36Å
412D98.7Very high97.5Very high12 Ų1244.2 Ų44.26%0.06423%0.225CC..SBendtrans-7660.9174.6-67-15.6000109.5Y287 R402 N404 F427 S428Y287-D412 WeakPolarHBondContact CB-O 3.48Å; Y287-D412 HydrophobicContact CD1-CB 3.69Å; Y287-D412 HydrophobicContact CE1-CB 3.9Å; Y287-D412 HydrophobicContact CG-CB 4.49Å; R402-D412 IonicContact NH1-OD2 3.47Å; R402-D412 PolarHBondContact NH1-OD2 3.5Å; R402-D412 VanDerWaalsContact NH1-OD2 3.09Å; R402-D412 PolarHBondContact O-N 3.23Å; N404-D412 WeakPolarHBondContact CA-OD1 3.24Å; N404-D412 WeakPolarHBondContact CB-OD1 3.37Å; N404-D412 PolarHBondContact ND2-OD1 3.01Å; D412-F427 CarbonylContact O-C 3.59Å; D412-F427 VanDerWaalsContact O-CA 3.26Å; D412-F427 WeakPolarHBondContact O-CA 3.48Å; D412-F427 WeakPolarHBondContact O-CB 3.46Å; D412-S428 PolarHBondContact O-N 3.32Å
413R98.7Very high97.4Very high26 Ų2640.7 Ų40.710%0.09821%0.212CC..EExtended strand (participates in β ladder)trans-120.6148.2-176.6173.6174.9168.8-151.1-0.2110.9T391 E392 Y393 V397 S398 A401 T411 E415 N425 F427T391-R413 CarbonylContact C-O 3.57Å; T391-R413 WeakPolarHBondContact CA-O 3.38Å; E392-R413 PolarHBondContact N-O 3.28Å; Y393-R413 HydrophobicContact CD2-CG 4.19Å; Y393-R413 HydrophobicContact CG-CG 4.2Å; V397-R413 PolarHBondContact O-NH1 2.84Å; S398-R413 WeakPolarHBondContact OG-CD 3.44Å; S398-R413 PolarHBondContact OG-NH1 3.07Å; A401-R413 HydrophobicContact CB-CB 4.18Å; T411-R413 PolarHBondContact O-N 3.36Å; R413-E415 IonicContact CZ-OE1 2.75Å; R413-E415 IonicContact NH2-OE1 3.18Å; R413-E415 PolarHBondContact NH2-OE1 2.91Å; R413-N425 PolarHBondContact NE-OD1 2.8Å; R413-F427 HydrophobicContact CB-CB 3.82Å; R413-F427 HydrophobicContact CG-CB 4.14Å; R413-F427 HydrophobicContact CG-CD1 4.04Å
414F98.8Very high97.4Very high0 Ų036.7 Ų36.70%020%0.198CC..EExtended strand (participates in β ladder)trans-132.8154.3166.273.1-89.8000112.7Y287 L290 I291 F389 I390 T391 F416 N425 G426 L475Y287-F414 AromaticContact CD2-CD1 3.96Å; Y287-F414 HydrophobicContact CD2-CD1 3.96Å; Y287-F414 HydrophobicContact CG-CD1 4.5Å; L290-F414 HydrophobicContact CB-CE1 3.73Å; L290-F414 HydrophobicContact CB-CZ 3.93Å; L290-F414 HydrophobicContact CD1-CE1 4.25Å; I291-F414 HydrophobicContact CD1-CB 4.44Å; I291-F414 HydrophobicContact CD1-CD1 4.19Å; I291-F414 HydrophobicContact CD1-CG 4.29Å; I291-F414 HydrophobicContact CG1-CD1 3.85Å; I291-F414 HydrophobicContact CG1-CD2 4.35Å; I291-F414 HydrophobicContact CG1-CE1 3.93Å; I291-F414 HydrophobicContact CG1-CE2 4.42Å; I291-F414 HydrophobicContact CG1-CG 4.04Å; I291-F414 HydrophobicContact CG1-CZ 4.19Å; F389-F414 AromaticContact CD1-CD2 3.52Å; F389-F414 HydrophobicContact CD1-CD2 3.52Å; F389-F414 AromaticContact CD1-CE2 3.75Å; F389-F414 HydrophobicContact CD1-CE2 3.75Å; F389-F414 HydrophobicContact CD1-CG 4.31Å; F389-F414 HydrophobicContact CE1-CD2 4Å; F389-F414 AromaticContact CE1-CE2 3.71Å; F389-F414 HydrophobicContact CE1-CE2 3.71Å; F389-F414 HydrophobicContact CE1-CZ 4.47Å; I390-F414 CarbonylContact O-C 3.54Å; I390-F414 WeakPolarHBondContact O-CA 3.39Å; I390-F414 VanDerWaalsContact O-CB 3.29Å; I390-F414 WeakPolarHBondContact O-CB 3.43Å; T391-F414 HydrophobicContact CG2-CB 3.98Å; F414-F416 HydrophobicContact CE2-CB 4.43Å; F414-N425 PolarHBondContact O-OD1 3.23Å; F414-G426 WeakPolarHBondContact CD1-O 3.47Å; F414-G426 PolarHBondContact N-O 3.24Å; F414-G426 PolarHBondContact O-N 3.07Å; F414-G426 VanDerWaalsContact O-O 3.06Å; F414-L475 HydrophobicContact CE2-CD1 4.1Å; F414-L475 HydrophobicContact CZ-CD1 3.84Å
415E98.8Very high97.4Very high25 Ų2536.9 Ų36.912%0.11720%0.198CC..EExtended strand (participates in β ladder)trans-117151.1158.1-64.8179.6156.600109.6F389 I390 Y393 R413 F417 E422 G424 N425F389-E415 WeakPolarHBondContact CA-O 3.48Å; I390-E415 PolarHBondContact N-O 3.12Å; I390-E415 PolarHBondContact O-N 2.98Å; Y393-E415 HydrophobicContact CE1-CG 4.04Å; Y393-E415 WeakPolarHBondContact CE1-OE2 3.44Å; Y393-E415 HydrophobicContact CE2-CB 4.32Å; Y393-E415 HydrophobicContact CE2-CG 4.16Å; Y393-E415 VanDerWaalsContact CZ-OE2 3.25Å; Y393-E415 WeakPolarHBondContact OH-CB 3.36Å; Y393-E415 VanDerWaalsContact OH-CD 3.29Å; Y393-E415 WeakPolarHBondContact OH-CG 3.39Å; Y393-E415 PolarHBondContact OH-OE2 3.33Å; R413-E415 IonicContact CZ-OE1 2.75Å; R413-E415 IonicContact NH2-OE1 3.18Å; R413-E415 PolarHBondContact NH2-OE1 2.91Å; E415-F417 HydrophobicContact CB-CD2 4.29Å; E415-F417 HydrophobicContact CB-CE2 3.5Å; E415-F417 VanDerWaalsContact CB-CE2 3.5Å; E415-F417 HydrophobicContact CB-CZ 3.92Å; E415-F417 WeakPolarHBondContact OE2-CZ 3.49Å; E415-E422 HydrophobicContact CB-CG 4.48Å; E415-G424 CarbonylContact C-O 3.56Å; E415-G424 WeakPolarHBondContact CA-O 3.4Å; E415-N425 HydrophobicContact CG-CB 4.28Å
416F98.8Very high97.5Very high1 Ų131 Ų310%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-114.5117.8-175.9176.5-132.3000110.1T294 F298 F324 P387 T388 F389 F414 I418 I423 G424T294-F416 HydrophobicContact CG2-CD1 3.88Å; T294-F416 HydrophobicContact CG2-CE1 4.11Å; T294-F416 HydrophobicContact CG2-CG 4.38Å; F298-F416 HydrophobicContact CD1-CE1 4.2Å; F298-F416 AromaticContact CD2-CE1 3.85Å; F298-F416 HydrophobicContact CD2-CE1 3.85Å; F298-F416 AromaticContact CE1-CE1 3.97Å; F298-F416 HydrophobicContact CE1-CE1 3.97Å; F298-F416 HydrophobicContact CE2-CD1 4.11Å; F298-F416 AromaticContact CE2-CE1 3.58Å; F298-F416 HydrophobicContact CE2-CE1 3.58Å; F298-F416 HydrophobicContact CG-CE1 4.15Å; F298-F416 HydrophobicContact CZ-CD1 4.25Å; F298-F416 AromaticContact CZ-CE1 3.66Å; F298-F416 HydrophobicContact CZ-CE1 3.66Å; F324-F416 AromaticContact CD2-CE2 3.52Å; F324-F416 HydrophobicContact CD2-CE2 3.52Å; F324-F416 AromaticContact CD2-CZ 3.67Å; F324-F416 HydrophobicContact CD2-CZ 3.67Å; F324-F416 HydrophobicContact CE2-CE1 4.39Å; F324-F416 AromaticContact CE2-CE2 3.86Å; F324-F416 HydrophobicContact CE2-CE2 3.86Å; F324-F416 AromaticContact CE2-CZ 3.47Å; F324-F416 HydrophobicContact CE2-CZ 3.47Å; F324-F416 VanDerWaalsContact CE2-CZ 3.47Å; P387-F416 HydrophobicContact CB-CE2 3.74Å; P387-F416 HydrophobicContact CB-CZ 3.89Å; T388-F416 WeakPolarHBondContact O-CD2 3.47Å; F389-F416 HydrophobicContact CD1-CB 3.87Å; F389-F416 AromaticContact CD1-CD2 3.76Å; F389-F416 HydrophobicContact CD1-CD2 3.76Å; F389-F416 HydrophobicContact CD1-CG 4.09Å; F389-F416 HydrophobicContact CD2-CD2 4.46Å; F389-F416 HydrophobicContact CE1-CB 3.82Å; F389-F416 AromaticContact CE1-CD2 3.6Å; F389-F416 HydrophobicContact CE1-CD2 3.6Å; F389-F416 HydrophobicContact CE1-CE2 4.34Å; F389-F416 AromaticContact CE1-CG 3.75Å; F389-F416 HydrophobicContact CE1-CG 3.75Å; F389-F416 HydrophobicContact CE2-CD2 4.33Å; F389-F416 HydrophobicContact CE2-CE2 4.43Å; F389-F416 HydrophobicContact CG-CD2 4.21Å; F389-F416 AromaticContact CZ-CD2 3.92Å; F389-F416 HydrophobicContact CZ-CD2 3.92Å; F389-F416 HydrophobicContact CZ-CE2 4.2Å; F389-F416 HydrophobicContact CZ-CG 4.35Å; F414-F416 HydrophobicContact CE2-CB 4.43Å; F416-I418 HydrophobicContact CD1-CD1 4.43Å; F416-I418 HydrophobicContact CE1-CD1 3.47Å; F416-I418 VanDerWaalsContact CE1-CD1 3.47Å; F416-I418 HydrophobicContact CE1-CG1 3.89Å; F416-I418 HydrophobicContact CE2-CD1 4.33Å; F416-I418 HydrophobicContact CE2-CG1 4.03Å; F416-I418 HydrophobicContact CZ-CD1 3.39Å; F416-I418 HydrophobicContact CZ-CG1 3.57Å; F416-I423 HydrophobicContact CD1-CB 4.16Å; F416-I423 PolarHBondContact O-N 3.19Å; F416-G424 PolarHBondContact N-O 3.27Å; F416-G424 PolarHBondContact O-N 3.02Å
417F98.6Very high97.5Very high2 Ų225.1 Ų25.11%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-111.8141.5-175-63.7-96.5000112.2F376 E381 L384 P387 T388 I390 E415 R421 E422F376-F417 HydrophobicContact CE1-CE2 4.27Å; F376-F417 AromaticContact CE1-CZ 3.86Å; F376-F417 HydrophobicContact CE1-CZ 3.86Å; F376-F417 AromaticContact CZ-CE2 3.91Å; F376-F417 HydrophobicContact CZ-CE2 3.91Å; F376-F417 AromaticContact CZ-CZ 3.87Å; F376-F417 HydrophobicContact CZ-CZ 3.87Å; E381-F417 HydrophobicContact CG-CD1 3.91Å; E381-F417 HydrophobicContact CG-CE1 3.74Å; L384-F417 HydrophobicContact CB-CB 3.77Å; L384-F417 HydrophobicContact CB-CG 4.44Å; L384-F417 HydrophobicContact CD1-CB 3.73Å; L384-F417 HydrophobicContact CD1-CD1 4.07Å; L384-F417 HydrophobicContact CD1-CD2 3.65Å; L384-F417 HydrophobicContact CD1-CE2 4.24Å; L384-F417 HydrophobicContact CD1-CG 3.55Å; L384-F417 HydrophobicContact CG-CB 4.41Å; P387-F417 WeakPolarHBondContact CA-O 3.31Å; T388-F417 PolarHBondContact N-O 3Å; T388-F417 PolarHBondContact O-N 3.48Å; I390-F417 HydrophobicContact CB-CD2 4.3Å; I390-F417 HydrophobicContact CB-CE2 3.96Å; I390-F417 HydrophobicContact CG1-CD2 3.66Å; I390-F417 HydrophobicContact CG1-CE2 3.67Å; E415-F417 HydrophobicContact CB-CD2 4.29Å; E415-F417 HydrophobicContact CB-CE2 3.5Å; E415-F417 VanDerWaalsContact CB-CE2 3.5Å; E415-F417 HydrophobicContact CB-CZ 3.92Å; E415-F417 WeakPolarHBondContact OE2-CZ 3.49Å; F417-R421 CarbonylContact C-O 3.55Å; F417-R421 VanDerWaalsContact CA-O 3.24Å; F417-R421 WeakPolarHBondContact CA-O 3.3Å; F417-E422 HydrophobicContact CD1-CB 4.15Å; F417-E422 HydrophobicContact CE1-CB 3.8Å; F417-E422 HydrophobicContact CZ-CB 4.37Å
418I98.2Very high97.6Very high0 Ų022.4 Ų22.40%012%0.116CC..SBendtrans-145.5130.5171.8-42.6175000109.2F298 F318 F320 P387 F416 G420 R421 I423 L485F298-I418 HydrophobicContact CD1-CD1 4.02Å; F298-I418 HydrophobicContact CE1-CD1 3.75Å; F298-I418 HydrophobicContact CZ-CD1 4.47Å; F318-I418 HydrophobicContact CD1-CG2 3.97Å; F318-I418 HydrophobicContact CD2-CG2 3.76Å; F318-I418 HydrophobicContact CE1-CG2 4.05Å; F318-I418 HydrophobicContact CE2-CG2 3.83Å; F318-I418 HydrophobicContact CG-CG2 3.82Å; F318-I418 HydrophobicContact CZ-CG2 3.98Å; F320-I418 HydrophobicContact CE1-CD1 3.93Å; F320-I418 HydrophobicContact CZ-CD1 4.18Å; P387-I418 HydrophobicContact CB-CG1 4.48Å; P387-I418 HydrophobicContact CG-CG2 4.41Å; F416-I418 HydrophobicContact CD1-CD1 4.43Å; F416-I418 HydrophobicContact CE1-CD1 3.47Å; F416-I418 VanDerWaalsContact CE1-CD1 3.47Å; F416-I418 HydrophobicContact CE1-CG1 3.89Å; F416-I418 HydrophobicContact CE2-CD1 4.33Å; F416-I418 HydrophobicContact CE2-CG1 4.03Å; F416-I418 HydrophobicContact CZ-CD1 3.39Å; F416-I418 HydrophobicContact CZ-CG1 3.57Å; I418-G420 PolarHBondContact O-N 3.26Å; I418-R421 PolarHBondContact N-O 3.36Å; I418-R421 PolarHBondContact O-N 2.92Å; I418-I423 HydrophobicContact CB-CG1 3.91Å; I418-I423 HydrophobicContact CD1-CB 4.44Å; I418-I423 HydrophobicContact CD1-CG1 3.95Å; I418-I423 HydrophobicContact CD1-CG2 4.46Å; I418-I423 HydrophobicContact CG1-CB 4.49Å; I418-I423 HydrophobicContact CG1-CG1 3.74Å; I418-L485 HydrophobicContact CB-CD1 3.82Å; I418-L485 HydrophobicContact CD1-CD1 3.73Å; I418-L485 HydrophobicContact CG1-CD1 4.3Å; I418-L485 HydrophobicContact CG2-CD1 4.02Å
419G96.1Very high97.7Very high14 Ų1419.4 Ų19.414%0.14410%0.097CC..SBendtrans62.232.7-179.300000113.4L384 I385L384-G419 PolarHBondContact O-N 3.5Å; I385-G419 PolarHBondContact O-N 3.4Å
420G95.4Very high97.9Very high9 Ų913.3 Ų13.39%0.0937%0.068CC..SBendtrans66.539.2-178.800000113.8E381 L384 I418E381-G420 WeakPolarHBondContact O-CA 3.48Å; L384-G420 PolarHBondContact O-N 3.46Å; I418-G420 PolarHBondContact O-N 3.26Å
421R93.7Very high97.9Very high50 Ų5014.9 Ų14.919%0.1898%0.077CC..SBendtrans-149138.8-179.1-57.3176.3-169.1174.61.5110.3Y313 F417 I418 I423Y313-R421 VanDerWaalsContact OH-CZ 3.3Å; Y313-R421 PolarHBondContact OH-NH1 2.98Å; Y313-R421 PolarHBondContact OH-NH2 2.95Å; F417-R421 CarbonylContact C-O 3.55Å; F417-R421 VanDerWaalsContact CA-O 3.24Å; F417-R421 WeakPolarHBondContact CA-O 3.3Å; I418-R421 PolarHBondContact N-O 3.36Å; I418-R421 PolarHBondContact O-N 2.92Å; R421-I423 HydrophobicContact CB-CD1 4.41Å; R421-I423 PolarHBondContact O-N 3.1Å
422E96.5Very high97.9Very high54 Ų5418.7 Ų18.725%0.25210%0.097SC..EExtended strand (participates in β ladder)trans-63.9128.8170.2-178.3-128.9160.300110.7E415 F417 R481E415-E422 HydrophobicContact CB-CG 4.48Å; F417-E422 HydrophobicContact CD1-CB 4.15Å; F417-E422 HydrophobicContact CE1-CB 3.8Å; F417-E422 HydrophobicContact CZ-CB 4.37Å; E422-R481 WeakPolarHBondContact O-CD 3.24Å; E422-R481 PolarHBondContact O-NH1 3.33Å; E422-R481 IonicContact OE2-CZ 3.17Å; E422-R481 IonicContact OE2-NH1 2.73Å; E422-R481 PolarHBondContact OE2-NH1 2.88Å
423I97.8Very high97.9Very high2 Ų219 Ų191%0.0110%0.101CC..EExtended strand (participates in β ladder)trans-117.1-27.1179.7-52.2-57.6000111.2F298 F416 I418 R421 G478 R481 L485F298-I423 HydrophobicContact CE1-CG2 3.99Å; F298-I423 HydrophobicContact CZ-CG2 3.56Å; F416-I423 HydrophobicContact CD1-CB 4.16Å; F416-I423 PolarHBondContact O-N 3.19Å; I418-I423 HydrophobicContact CB-CG1 3.91Å; I418-I423 HydrophobicContact CD1-CB 4.44Å; I418-I423 HydrophobicContact CD1-CG1 3.95Å; I418-I423 HydrophobicContact CD1-CG2 4.46Å; I418-I423 HydrophobicContact CG1-CB 4.49Å; I418-I423 HydrophobicContact CG1-CG1 3.74Å; R421-I423 HydrophobicContact CB-CD1 4.41Å; R421-I423 PolarHBondContact O-N 3.1Å; I423-G478 PolarHBondContact O-N 2.87Å; I423-R481 HydrophobicContact CD1-CB 3.88Å; I423-L485 HydrophobicContact CD1-CD1 3.62Å; I423-L485 HydrophobicContact CD1-CG 4.34Å; I423-L485 HydrophobicContact CG1-CD1 3.9Å
424G98Very high97.9Very high2 Ų225.2 Ų25.22%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-154.6163.6173.900000112.5E415 F416 G476E415-G424 CarbonylContact C-O 3.56Å; E415-G424 WeakPolarHBondContact CA-O 3.4Å; F416-G424 PolarHBondContact N-O 3.27Å; F416-G424 PolarHBondContact O-N 3.02Å; G424-G476 CarbonylContact C-O 3.57Å; G424-G476 WeakPolarHBondContact CA-O 3.34Å
425N98.3Very high97.8Very high40 Ų4026.3 Ų26.321%0.21414%0.137CC..EExtended strand (participates in β ladder)trans-140.9131.5-179.7175.828.3000107.4R413 F414 E415 G476R413-N425 PolarHBondContact NE-OD1 2.8Å; F414-N425 PolarHBondContact O-OD1 3.23Å; E415-N425 HydrophobicContact CG-CB 4.28Å; N425-G476 PolarHBondContact N-O 3.48Å; N425-G476 PolarHBondContact O-N 3.35Å
426G98.6Very high97.7Very high0 Ų025.1 Ų25.10%013%0.132CC..EExtended strand (participates in β ladder)trans-154.3155.2-17900000112.6F414 G474F414-G426 WeakPolarHBondContact CD1-O 3.47Å; F414-G426 PolarHBondContact N-O 3.24Å; F414-G426 PolarHBondContact O-N 3.07Å; F414-G426 VanDerWaalsContact O-O 3.06Å; G426-G474 CarbonylContact C-O 3.46Å; G426-G474 WeakPolarHBondContact CA-O 3.21Å
427F98.7Very high97.7Very high14 Ų1426 Ų266%0.06114%0.139CC..EExtended strand (participates in β ladder)trans-157.9160.6-173.834.3-88.5000112L400 A401 D412 R413 E429 A473 G474L400-F427 HydrophobicContact CB-CE2 4.14Å; L400-F427 HydrophobicContact CB-CZ 4.42Å; A401-F427 HydrophobicContact CB-CB 3.73Å; A401-F427 HydrophobicContact CB-CD1 4.48Å; A401-F427 HydrophobicContact CB-CD2 3.89Å; A401-F427 HydrophobicContact CB-CG 3.8Å; D412-F427 CarbonylContact O-C 3.59Å; D412-F427 VanDerWaalsContact O-CA 3.26Å; D412-F427 WeakPolarHBondContact O-CA 3.48Å; D412-F427 WeakPolarHBondContact O-CB 3.46Å; R413-F427 HydrophobicContact CB-CB 3.82Å; R413-F427 HydrophobicContact CG-CB 4.14Å; R413-F427 HydrophobicContact CG-CD1 4.04Å; F427-E429 WeakPolarHBondContact CD2-OE2 3.35Å; F427-E429 WeakPolarHBondContact CE2-OE1 3.47Å; F427-E429 WeakPolarHBondContact CE2-OE2 3.46Å; F427-A473 WeakPolarHBondContact O-CA 3.29Å; F427-G474 PolarHBondContact N-O 3.42Å; F427-G474 PolarHBondContact O-N 3.01Å; F427-G474 VanDerWaalsContact O-N 3.12Å
428S98.9Very high97.6Very high6 Ų632 Ų324%0.04217%0.167CC..EExtended strand (participates in β ladder)trans-68126.3158.9-58.60000107.8Y287 R402 D412Y287-S428 PolarHBondContact N-OG 2.93Å; Y287-S428 VanDerWaalsContact N-OG 3.14Å; R402-S428 VanDerWaalsContact CB-O 3.27Å; R402-S428 WeakPolarHBondContact CB-O 3.17Å; R402-S428 PolarHBondContact N-O 2.68Å; D412-S428 PolarHBondContact O-N 3.32Å
429E98.7Very high97.3Very high2 Ų232.3 Ų32.31%0.00917%0.168CC..BIsolated β-bridgetrans-73.8136.8-170.6-62.6-55161.500112.5K245 Y281 F427 N431 L469 T472 G474K245-E429 VanDerWaalsContact CE-CD 3.41Å; K245-E429 WeakPolarHBondContact CE-OE2 3.37Å; K245-E429 IonicContact NZ-OE2 2.81Å; K245-E429 PolarHBondContact NZ-OE2 3.05Å; Y281-E429 HydrophobicContact CD1-CG 4.19Å; Y281-E429 HydrophobicContact CE1-CG 4.21Å; Y281-E429 VanDerWaalsContact CE1-OE1 3.27Å; Y281-E429 WeakPolarHBondContact CE1-OE1 3.48Å; F427-E429 WeakPolarHBondContact CD2-OE2 3.35Å; F427-E429 WeakPolarHBondContact CE2-OE1 3.47Å; F427-E429 WeakPolarHBondContact CE2-OE2 3.46Å; E429-N431 PolarHBondContact O-N 3.41Å; E429-L469 HydrophobicContact CB-CD2 4.47Å; E429-T472 VanDerWaalsContact CB-O 3.3Å; E429-T472 WeakPolarHBondContact CB-O 3.25Å; E429-T472 HydrophobicContact CG-CG2 3.82Å; E429-T472 WeakPolarHBondContact CG-O 3.25Å; E429-T472 PolarHBondContact N-O 3.03Å; E429-G474 WeakPolarHBondContact OE1-CA 3.43Å; E429-G474 PolarHBondContact OE1-N 3.21Å
430L98.5Very high97.2Very high4 Ų431.8 Ų31.82%0.02116%0.162CC..  trans-70.3110.1168.9-177.760000109.5L400 D432 D435 Q436L400-L430 WeakPolarHBondContact O-CB 3.39Å; L400-L430 PolarHBondContact O-N 3.02Å; L430-D432 HydrophobicContact CD1-CB 4.07Å; L430-D435 HydrophobicContact CD1-CB 4.17Å; L430-D435 VanDerWaalsContact CD1-OD2 3.3Å; L430-D435 WeakPolarHBondContact CD1-OD2 3.47Å; L430-Q436 HydrophobicContact CD2-CB 3.92Å; L430-Q436 HydrophobicContact CG-CB 4.31Å
431N98.1Very high97.1Very high49 Ų4935.7 Ų35.726%0.26218%0.178SC..  trans-113.30.4177.768.4-28.2000113.8E429 A433 L469E429-N431 PolarHBondContact O-N 3.41Å; N431-A433 PolarHBondContact O-N 3.28Å; N431-L469 HydrophobicContact CB-CB 3.83Å; N431-L469 HydrophobicContact CB-CD2 3.86Å; N431-L469 HydrophobicContact CB-CG 3.82Å; N431-L469 WeakPolarHBondContact CB-O 3.3Å; N431-L469 PolarHBondContact ND2-O 3.49Å
432D98.4Very high97Very high81 Ų8138.6 Ų38.643%0.43319%0.194SC..  trans-77.4110.9168.8-174.6-23.4000109L430 E434 D435 Q436L430-D432 HydrophobicContact CD1-CB 4.07Å; D432-E434 VanDerWaalsContact C-N 3.32Å; D432-E434 PolarHBondContact O-N 2.87Å; D432-E434 PolarHBondContact OD1-N 3.42Å; D432-D435 HydrophobicContact CB-CB 4.03Å; D432-D435 PolarHBondContact OD1-N 3.48Å; D432-Q436 VanDerWaalsContact O-CB 3.31Å; D432-Q436 WeakPolarHBondContact O-CB 3.22Å; D432-Q436 PolarHBondContact O-N 2.95Å
433A98.2Very high96.6Very high17 Ų1737.4 Ų37.414%0.1419%0.188CC..Hα-helixtrans-67.1-32.4-176.800000112.7N431 A437 L465 E466N431-A433 PolarHBondContact O-N 3.28Å; A433-A437 WeakPolarHBondContact O-CB 3.22Å; A433-A437 PolarHBondContact O-N 2.89Å; A433-L465 HydrophobicContact CB-CB 3.78Å; A433-E466 HydrophobicContact CB-CG 3.86Å
434E98.3Very high96.2Very high157 Ų15739.6 Ų39.673%0.73420%0.202SC*.Hα-helixtrans-71.5-49.1179.9-64.1-176.7176.600109.9D432 Q436 A437 E438D432-E434 VanDerWaalsContact C-N 3.32Å; D432-E434 PolarHBondContact O-N 2.87Å; D432-E434 PolarHBondContact OD1-N 3.42Å; E434-Q436 VanDerWaalsContact C-N 3.32Å; E434-Q436 PolarHBondContact O-N 3.16Å; E434-A437 PolarHBondContact O-N 2.82Å; E434-E438 WeakPolarHBondContact O-CG 3.34Å; E434-E438 PolarHBondContact O-N 3.2Å
435D97.1Very high95.8Very high24 Ų2444 Ų4413%0.12822%0.224CC..Hα-helixtrans-60.4-41.9174-177.714.7000110.8L430 D432 A437 E438 R439L430-D435 HydrophobicContact CD1-CB 4.17Å; L430-D435 VanDerWaalsContact CD1-OD2 3.3Å; L430-D435 WeakPolarHBondContact CD1-OD2 3.47Å; D432-D435 HydrophobicContact CB-CB 4.03Å; D432-D435 PolarHBondContact OD1-N 3.48Å; D435-A437 VanDerWaalsContact C-N 3.34Å; D435-A437 PolarHBondContact O-N 3.42Å; D435-E438 PolarHBondContact O-N 3.02Å; D435-R439 WeakPolarHBondContact O-CG 3.38Å; D435-R439 PolarHBondContact O-N 2.92Å; D435-R439 IonicContact OD1-CZ 3.23Å; D435-R439 IonicContact OD1-NE 2.91Å; D435-R439 PolarHBondContact OD1-NE 2.72Å; D435-R439 IonicContact OD1-NH2 3.12Å; D435-R439 IonicContact OD2-CZ 3.74Å; D435-R439 IonicContact OD2-NE 3.62Å; D435-R439 PolarHBondContact OD2-NE 3.26Å; D435-R439 IonicContact OD2-NH2 2.68Å; D435-R439 PolarHBondContact OD2-NH2 2.95Å
436Q97.8Very high95.2Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-61.9-41.3177.8-175.8649000112.5P399 L400 L430 D432 E434 R439 F440 Y461 L465P399-Q436 PolarHBondContact O-NE2 2.78Å; L400-Q436 VanDerWaalsContact CD2-OE1 3.3Å; L430-Q436 HydrophobicContact CD2-CB 3.92Å; L430-Q436 HydrophobicContact CG-CB 4.31Å; D432-Q436 VanDerWaalsContact O-CB 3.31Å; D432-Q436 WeakPolarHBondContact O-CB 3.22Å; D432-Q436 PolarHBondContact O-N 2.95Å; E434-Q436 VanDerWaalsContact C-N 3.32Å; E434-Q436 PolarHBondContact O-N 3.16Å; Q436-R439 PolarHBondContact O-N 2.92Å; Q436-F440 HydrophobicContact CG-CD2 4.43Å; Q436-F440 HydrophobicContact CG-CE2 4.2Å; Q436-F440 HydrophobicContact CG-CZ 4.41Å; Q436-F440 PolarHBondContact O-N 2.92Å; Q436-Y461 HydrophobicContact CG-CD1 4.32Å; Q436-Y461 HydrophobicContact CG-CE1 3.91Å; Q436-L465 HydrophobicContact CB-CD1 3.71Å; Q436-L465 HydrophobicContact CG-CD1 3.65Å
437A97.2Very high94.5Very high19 Ų1946.6 Ų46.616%0.15724%0.239CC..Hα-helixtrans-64.8-42.5176.900000111.6A433 E434 D435 F440 Q441 Y457 V462A433-A437 WeakPolarHBondContact O-CB 3.22Å; A433-A437 PolarHBondContact O-N 2.89Å; E434-A437 PolarHBondContact O-N 2.82Å; D435-A437 VanDerWaalsContact C-N 3.34Å; D435-A437 PolarHBondContact O-N 3.42Å; A437-F440 PolarHBondContact O-N 3.2Å; A437-Q441 PolarHBondContact O-N 2.83Å; A437-Y457 HydrophobicContact CB-CE2 4.5Å; A437-V462 HydrophobicContact CB-CG1 4.17Å; A437-V462 HydrophobicContact CB-CG2 4.23Å
438E96.3Very high93.9Very high128 Ų12850.3 Ų50.360%0.59827%0.272SS*.Hα-helixtrans-59.7-47.3174.6-72.2-176.1175.300111.4E434 D435 F440 Q441 E442E434-E438 WeakPolarHBondContact O-CG 3.34Å; E434-E438 PolarHBondContact O-N 3.2Å; D435-E438 PolarHBondContact O-N 3.02Å; E438-F440 PolarHBondContact O-N 2.62Å; E438-Q441 WeakPolarHBondContact O-CA 3.45Å; E438-Q441 WeakPolarHBondContact O-CB 3.49Å; E438-Q441 PolarHBondContact O-N 3.02Å; E438-E442 WeakPolarHBondContact O-CG 3.3Å; E438-E442 PolarHBondContact O-N 2.96Å
439R93.7Very high93.2Very high7 Ų753.8 Ų53.83%0.02630%0.302CS..Hα-helixtrans-64.2-37.5177.7-67.8-174.6-162.4-167.522.5113.2S398 P399 A401 D435 Q436 Q441 E442 Q443S398-R439 PolarHBondContact O-NH1 2.87Å; P399-R439 VanDerWaalsContact O-CD 3.23Å; P399-R439 WeakPolarHBondContact O-CD 3.47Å; A401-R439 PolarHBondContact O-NH1 2.77Å; A401-R439 PolarHBondContact O-NH2 2.78Å; D435-R439 WeakPolarHBondContact O-CG 3.38Å; D435-R439 PolarHBondContact O-N 2.92Å; D435-R439 IonicContact OD1-CZ 3.23Å; D435-R439 IonicContact OD1-NE 2.91Å; D435-R439 PolarHBondContact OD1-NE 2.72Å; D435-R439 IonicContact OD1-NH2 3.12Å; D435-R439 IonicContact OD2-CZ 3.74Å; D435-R439 IonicContact OD2-NE 3.62Å; D435-R439 PolarHBondContact OD2-NE 3.26Å; D435-R439 IonicContact OD2-NH2 2.68Å; D435-R439 PolarHBondContact OD2-NH2 2.95Å; Q436-R439 PolarHBondContact O-N 2.92Å; R439-Q441 VanDerWaalsContact C-N 3.31Å; R439-Q441 PolarHBondContact O-N 2.89Å; R439-E442 WeakPolarHBondContact O-CB 3.45Å; R439-E442 PolarHBondContact O-N 2.9Å; R439-Q443 VanDerWaalsContact O-CG 3.3Å; R439-Q443 WeakPolarHBondContact O-CG 3.14Å; R439-Q443 PolarHBondContact O-N 3.17Å
440F93.7Very high92.4Very high2 Ų256.4 Ų56.41%0.00933%0.329CS..Hα-helixtrans-64.1-38171.7-78.7-22.2000112.1L400 Q436 A437 E438 E442 Q443 V444 M455 Y457 D458 Y461 V462L400-F440 HydrophobicContact CD2-CE1 4.01Å; L400-F440 HydrophobicContact CD2-CZ 4.39Å; Q436-F440 HydrophobicContact CG-CD2 4.43Å; Q436-F440 HydrophobicContact CG-CE2 4.2Å; Q436-F440 HydrophobicContact CG-CZ 4.41Å; Q436-F440 PolarHBondContact O-N 2.92Å; A437-F440 PolarHBondContact O-N 3.2Å; E438-F440 PolarHBondContact O-N 2.62Å; F440-E442 VanDerWaalsContact C-N 3.32Å; F440-E442 PolarHBondContact O-N 2.98Å; F440-Q443 PolarHBondContact O-N 2.83Å; F440-V444 WeakPolarHBondContact O-CG2 3.26Å; F440-V444 PolarHBondContact O-N 2.92Å; F440-M455 HydrophobicContact CE1-SD 4.25Å; F440-Y457 HydrophobicContact CB-CD2 3.48Å; F440-Y457 VanDerWaalsContact CB-CD2 3.48Å; F440-Y457 HydrophobicContact CB-CE2 3.9Å; F440-Y457 HydrophobicContact CB-CG 4.16Å; F440-Y457 HydrophobicContact CD2-CD2 4.5Å; F440-Y457 HydrophobicContact CG-CD2 4.47Å; F440-D458 HydrophobicContact CE2-CB 4.14Å; F440-D458 HydrophobicContact CZ-CB 4.5Å; F440-Y461 AromaticContact CE2-CD1 3.73Å; F440-Y461 HydrophobicContact CE2-CD1 3.73Å; F440-Y461 HydrophobicContact CE2-CE1 4.48Å; F440-Y461 AromaticContact CZ-CD1 3.76Å; F440-Y461 HydrophobicContact CZ-CD1 3.76Å; F440-Y461 HydrophobicContact CZ-CE1 4.23Å; F440-V462 HydrophobicContact CD2-CG2 3.98Å; F440-V462 HydrophobicContact CE2-CG2 4.17Å
441Q93.3Very high91.5Very high92 Ų9258.9 Ų58.943%0.4334%0.342SS..Hα-helixtrans-64.6-38.4175.4-17257.773.500111.7A437 E438 R439 V444 N445A437-Q441 PolarHBondContact O-N 2.83Å; E438-Q441 WeakPolarHBondContact O-CA 3.45Å; E438-Q441 WeakPolarHBondContact O-CB 3.49Å; E438-Q441 PolarHBondContact O-N 3.02Å; R439-Q441 VanDerWaalsContact C-N 3.31Å; R439-Q441 PolarHBondContact O-N 2.89Å; Q441-V444 PolarHBondContact O-N 2.84Å; Q441-N445 PolarHBondContact NE2-OD1 3.36Å; Q441-N445 PolarHBondContact O-N 3.04Å; Q441-N445 PolarHBondContact O-ND2 3.05Å; Q441-N445 PolarHBondContact O-OD1 2.76Å
442E90.1Very high90.7Very high111 Ų11161.4 Ų61.452%0.51936%0.356SS..Hα-helixtrans-61.2-44.5171.5-68.5176.5168.900111.9E438 R439 F440 V444 N445 A446E438-E442 WeakPolarHBondContact O-CG 3.3Å; E438-E442 PolarHBondContact O-N 2.96Å; R439-E442 WeakPolarHBondContact O-CB 3.45Å; R439-E442 PolarHBondContact O-N 2.9Å; F440-E442 VanDerWaalsContact C-N 3.32Å; F440-E442 PolarHBondContact O-N 2.98Å; E442-V444 PolarHBondContact O-N 2.99Å; E442-N445 WeakPolarHBondContact O-CB 3.34Å; E442-N445 PolarHBondContact O-N 2.74Å; E442-N445 VanDerWaalsContact O-N 3.16Å; E442-A446 PolarHBondContact O-N 3.32Å
443Q89.4Confident89.9Confident28 Ų2861.9 Ų61.913%0.13136%0.356CS..Hα-helixtrans-62.8-40.8176.3-69.5-68-57.500112.2P399 R439 F440 N445 A446 K447 A454 M455P399-Q443 HydrophobicContact CB-CG 4.28Å; R439-Q443 VanDerWaalsContact O-CG 3.3Å; R439-Q443 WeakPolarHBondContact O-CG 3.14Å; R439-Q443 PolarHBondContact O-N 3.17Å; F440-Q443 PolarHBondContact O-N 2.83Å; Q443-N445 VanDerWaalsContact C-N 3.3Å; Q443-N445 PolarHBondContact O-N 2.75Å; Q443-A446 PolarHBondContact O-N 3.08Å; Q443-K447 WeakPolarHBondContact O-CB 3.3Å; Q443-K447 PolarHBondContact O-N 3.3Å; Q443-A454 WeakPolarHBondContact O-CB 3.23Å; Q443-M455 HydrophobicContact CB-CB 3.96Å; Q443-M455 HydrophobicContact CG-CB 4.05Å; Q443-M455 HydrophobicContact CG-CG 4.45Å
444V89.9Confident89.3Confident49 Ų4961.3 Ų61.330%0.29735%0.35SS..Hα-helixtrans-61.4-40.4173.2169.20000111.4F440 Q441 E442 K447 A448F440-V444 WeakPolarHBondContact O-CG2 3.26Å; F440-V444 PolarHBondContact O-N 2.92Å; Q441-V444 PolarHBondContact O-N 2.84Å; E442-V444 PolarHBondContact O-N 2.99Å; V444-K447 WeakPolarHBondContact O-CB 3.13Å; V444-K447 PolarHBondContact O-N 3.47Å; V444-A448 PolarHBondContact O-N 3.33Å
445N88.7Confident88.7Confident93 Ų9354.3 Ų54.350%0.49732%0.318SS..Hα-helixtrans-66.6-41.7176.8-65.4-23.2000111.5Q441 E442 Q443 K447 A448 A449Q441-N445 PolarHBondContact NE2-OD1 3.36Å; Q441-N445 PolarHBondContact O-N 3.04Å; Q441-N445 PolarHBondContact O-ND2 3.05Å; Q441-N445 PolarHBondContact O-OD1 2.76Å; E442-N445 WeakPolarHBondContact O-CB 3.34Å; E442-N445 PolarHBondContact O-N 2.74Å; E442-N445 VanDerWaalsContact O-N 3.16Å; Q443-N445 VanDerWaalsContact C-N 3.3Å; Q443-N445 PolarHBondContact O-N 2.75Å; N445-K447 VanDerWaalsContact C-N 3.32Å; N445-K447 PolarHBondContact O-N 3.12Å; N445-A448 PolarHBondContact O-N 3.42Å; N445-A449 PolarHBondContact O-N 3.37Å
446A85.3Confident88.4Confident29 Ų2956.2 Ų56.224%0.2433%0.325CS..Hα-helixtrans-60.6-42.117500000111.5E442 Q443 A448 A449 G450 D451 A454E442-A446 PolarHBondContact O-N 3.32Å; Q443-A446 PolarHBondContact O-N 3.08Å; A446-A448 PolarHBondContact O-N 3.24Å; A446-A449 CarbonylContact O-C 3.2Å; A446-A449 WeakPolarHBondContact O-CA 3.49Å; A446-A449 WeakPolarHBondContact O-CB 3.34Å; A446-A449 PolarHBondContact O-N 3.48Å; A446-G450 PolarHBondContact O-N 3.47Å; A446-D451 HydrophobicContact CB-CB 4.37Å; A446-D451 WeakPolarHBondContact O-CB 3.47Å; A446-D451 PolarHBondContact O-N 3.05Å; A446-D451 VanDerWaalsContact O-N 3.1Å; A446-A454 HydrophobicContact CB-CB 4.15Å
447K85.1Confident88.2Confident66 Ų6660.3 Ų60.329%0.28734%0.341SS..Hα-helixtrans-60.8-45.7174-169.6169.1-171.5158.60112.9Q443 V444 N445 A449 G450 D451 A454Q443-K447 WeakPolarHBondContact O-CB 3.3Å; Q443-K447 PolarHBondContact O-N 3.3Å; V444-K447 WeakPolarHBondContact O-CB 3.13Å; V444-K447 PolarHBondContact O-N 3.47Å; N445-K447 VanDerWaalsContact C-N 3.32Å; N445-K447 PolarHBondContact O-N 3.12Å; K447-A449 PolarHBondContact O-N 3.03Å; K447-G450 PolarHBondContact O-N 2.99Å; K447-D451 WeakPolarHBondContact CA-O 3.38Å; K447-A454 HydrophobicContact CB-CB 3.94Å
448A85Confident88.1Confident92 Ų9260 Ų6076%0.7634%0.337SS*.Hα-helixtrans-63.1-25.6175.300000112.5V444 N445 A446 G450V444-A448 PolarHBondContact O-N 3.33Å; N445-A448 PolarHBondContact O-N 3.42Å; A446-A448 PolarHBondContact O-N 3.24Å; A448-G450 VanDerWaalsContact C-N 3.31Å
449A84.2Confident88.2Confident80 Ų8060.8 Ų60.866%0.66134%0.341SS*.THydrogen-bonded Turntrans-82.6-2.3174.200000114.2N445 A446 K447N445-A449 PolarHBondContact O-N 3.37Å; A446-A449 CarbonylContact O-C 3.2Å; A446-A449 WeakPolarHBondContact O-CA 3.49Å; A446-A449 WeakPolarHBondContact O-CB 3.34Å; A446-A449 PolarHBondContact O-N 3.48Å; K447-A449 PolarHBondContact O-N 3.03Å
450G81.9Confident88.4Confident56 Ų5665.1 Ų65.158%0.57736%0.364SS*.THydrogen-bonded Turntrans110.67.9173.800000115.5A446 K447 A448 D452A446-G450 PolarHBondContact O-N 3.47Å; K447-G450 PolarHBondContact O-N 2.99Å; A448-G450 VanDerWaalsContact C-N 3.31Å; G450-D452 PolarHBondContact O-N 2.92Å
451D80.8Confident88.6Confident57 Ų5765.1 Ų65.131%0.30536%0.364SS..  trans-79.498171.2-169.3-18.9000110.9A446 K447 E453 A454A446-D451 HydrophobicContact CB-CB 4.37Å; A446-D451 WeakPolarHBondContact O-CB 3.47Å; A446-D451 PolarHBondContact O-N 3.05Å; A446-D451 VanDerWaalsContact O-N 3.1Å; K447-D451 WeakPolarHBondContact CA-O 3.38Å; D451-E453 PolarHBondContact O-N 2.88Å; D451-E453 PolarHBondContact OD1-N 3.07Å; D451-A454 HydrophobicContact CB-CB 3.96Å; D451-A454 PolarHBondContact O-N 3.13Å; D451-A454 PolarHBondContact OD1-N 2.94Å
452D79.7Confident88.8Confident102 Ų10261.1 Ų61.155%0.54535%0.346SS..THydrogen-bonded Turntrans-66.9-12.2-179.8-75.5-27.1000113.9R221 G450R221-D452 IonicContact CZ-OD2 3.16Å; R221-D452 IonicContact NH2-OD2 2.79Å; R221-D452 PolarHBondContact NH2-OD2 2.6Å; G450-D452 PolarHBondContact O-N 2.92Å
453E83.2Confident89.2Confident91 Ų9158.3 Ų58.343%0.42534%0.337SS..THydrogen-bonded Turntrans-103.4-8-178.2-63.5-175.1168.200113.1S219 D451S219-E453 WeakPolarHBondContact CA-O 3.44Å; D451-E453 PolarHBondContact O-N 2.88Å; D451-E453 PolarHBondContact OD1-N 3.07Å
454A84.5Confident89.7Confident4 Ų457.7 Ų57.73%0.03334%0.336CS..PPolyproline II helixtrans-63.6146.8178.900000113.1Q443 A446 K447 D451Q443-A454 WeakPolarHBondContact O-CB 3.23Å; A446-A454 HydrophobicContact CB-CB 4.15Å; K447-A454 HydrophobicContact CB-CB 3.94Å; D451-A454 HydrophobicContact CB-CB 3.96Å; D451-A454 PolarHBondContact O-N 3.13Å; D451-A454 PolarHBondContact OD1-N 2.94Å
455M86.9Confident90.1Very high10 Ų1055.6 Ų55.65%0.04932%0.323CS..PPolyproline II helixtrans-68153.5-173.5-62.2-175.8179.600112.9P399 L400 F440 Q443P399-M455 HydrophobicContact CB-SD 4.38Å; P399-M455 HydrophobicContact CG-CE 3.62Å; P399-M455 HydrophobicContact CG-SD 3.94Å; L400-M455 HydrophobicContact CD1-CE 3.79Å; L400-M455 HydrophobicContact CD1-SD 4.2Å; L400-M455 HydrophobicContact CD2-SD 4.28Å; L400-M455 HydrophobicContact CG-CE 4.11Å; L400-M455 HydrophobicContact CG-SD 4.23Å; F440-M455 HydrophobicContact CE1-SD 4.25Å; Q443-M455 HydrophobicContact CB-CB 3.96Å; Q443-M455 HydrophobicContact CG-CB 4.05Å; Q443-M455 HydrophobicContact CG-CG 4.45Å
456F89.5Confident90.6Very high65 Ų6557.7 Ų57.729%0.28533%0.33SS..PPolyproline II helixtrans-86.1154.3169.7-65.7-105.8000110.1I214 P215 D458I214-F456 HydrophobicContact CG2-CB 3.5Å; I214-F456 HydrophobicContact CG2-CG 4.18Å; P215-F456 HydrophobicContact CG-CD2 3.83Å; P215-F456 HydrophobicContact CG-CE2 3.49Å; P215-F456 VanDerWaalsContact CG-CE2 3.49Å; P215-F456 HydrophobicContact CG-CZ 4.12Å; F456-D458 PolarHBondContact O-N 3.4Å
457Y94.2Very high91.2Very high86 Ų8665.6 Ų65.634%0.33736%0.355SS..PPolyproline II helixtrans-74.8118.7170.2-164.8-77.8000110A437 F440 E459 V462A437-Y457 HydrophobicContact CB-CE2 4.5Å; F440-Y457 HydrophobicContact CB-CD2 3.48Å; F440-Y457 VanDerWaalsContact CB-CD2 3.48Å; F440-Y457 HydrophobicContact CB-CE2 3.9Å; F440-Y457 HydrophobicContact CB-CG 4.16Å; F440-Y457 HydrophobicContact CD2-CD2 4.5Å; F440-Y457 HydrophobicContact CG-CD2 4.47Å; Y457-E459 HydrophobicContact CD1-CB 4.34Å; Y457-E459 HydrophobicContact CE1-CB 4.12Å; Y457-V462 HydrophobicContact CE1-CG2 4.42Å
458D95.8Very high91.8Very high11 Ų1164.4 Ų64.46%0.05936%0.361CS..  trans-106.195175.8-175.7-8.9000109.9L242 R246 F440 F456 D460 Y461 V462L242-D458 HydrophobicContact CD1-CB 4.44Å; R246-D458 IonicContact CZ-OD2 3.64Å; R246-D458 IonicContact NH1-OD2 2.82Å; R246-D458 IonicContact NH2-OD1 3.83Å; R246-D458 PolarHBondContact NH2-OD1 3.19Å; R246-D458 IonicContact NH2-OD2 3.48Å; R246-D458 PolarHBondContact NH2-OD2 3.4Å; F440-D458 HydrophobicContact CE2-CB 4.14Å; F440-D458 HydrophobicContact CZ-CB 4.5Å; F456-D458 PolarHBondContact O-N 3.4Å; D458-D460 VanDerWaalsContact C-N 3.32Å; D458-D460 PolarHBondContact O-N 2.91Å; D458-D460 PolarHBondContact OD1-N 2.97Å; D458-Y461 VanDerWaalsContact CG-CB 3.42Å; D458-Y461 PolarHBondContact O-N 3.31Å; D458-Y461 PolarHBondContact OD1-N 3.03Å; D458-Y461 WeakPolarHBondContact OD2-CB 3.45Å; D458-V462 PolarHBondContact O-N 2.83Å; D458-V462 VanDerWaalsContact O-N 3.14Å
459E96.8Very high92.5Very high145 Ų14560.3 Ų60.368%0.67833%0.327SS*.Hα-helixtrans-63.2-35.7-178.9-174.2177.8-169.600112.6Y457 Y461 V462 T463Y457-E459 HydrophobicContact CD1-CB 4.34Å; Y457-E459 HydrophobicContact CE1-CB 4.12Å; E459-Y461 VanDerWaalsContact C-N 3.32Å; E459-V462 PolarHBondContact O-N 2.88Å; E459-T463 WeakPolarHBondContact O-CB 3.4Å; E459-T463 PolarHBondContact O-N 3.3Å; E459-T463 PolarHBondContact O-OG1 3Å
460D97.8Very high93.2Very high99 Ų9957.8 Ų57.853%0.52930%0.304SS..Hα-helixtrans-69.1-34177.4177.673.8000111.2R246 D458 T463 A464R246-D460 IonicContact CZ-OD2 3.53Å; R246-D460 VanDerWaalsContact CZ-OD2 3.29Å; R246-D460 IonicContact NE-OD2 2.96Å; R246-D460 PolarHBondContact NE-OD2 3.02Å; R246-D460 IonicContact NH2-OD2 3.42Å; R246-D460 PolarHBondContact NH2-OD2 3.4Å; D458-D460 VanDerWaalsContact C-N 3.32Å; D458-D460 PolarHBondContact O-N 2.91Å; D458-D460 PolarHBondContact OD1-N 2.97Å; D460-T463 WeakPolarHBondContact O-CB 3.17Å; D460-T463 PolarHBondContact O-N 3.19Å; D460-A464 PolarHBondContact O-N 2.98Å
461Y98.3Very high94Very high1 Ų159 Ų590%0.00430%0.301CS..Hα-helixtrans-68.9-43.5175.1-179.5-111.6000112L242 K245 Q436 F440 D458 E459 T463 A464 L465L242-Y461 HydrophobicContact CB-CD2 3.97Å; L242-Y461 HydrophobicContact CB-CE2 4.26Å; L242-Y461 HydrophobicContact CB-CG 4.38Å; L242-Y461 HydrophobicContact CD2-CD1 4.01Å; L242-Y461 HydrophobicContact CD2-CD2 4.17Å; L242-Y461 HydrophobicContact CD2-CE1 3.81Å; L242-Y461 HydrophobicContact CD2-CE2 3.99Å; L242-Y461 HydrophobicContact CD2-CG 4.18Å; K245-Y461 HydrophobicContact CB-CE2 3.91Å; K245-Y461 HydrophobicContact CD-CE2 4.08Å; K245-Y461 WeakPolarHBondContact CD-OH 3.3Å; Q436-Y461 HydrophobicContact CG-CD1 4.32Å; Q436-Y461 HydrophobicContact CG-CE1 3.91Å; F440-Y461 AromaticContact CE2-CD1 3.73Å; F440-Y461 HydrophobicContact CE2-CD1 3.73Å; F440-Y461 HydrophobicContact CE2-CE1 4.48Å; F440-Y461 AromaticContact CZ-CD1 3.76Å; F440-Y461 HydrophobicContact CZ-CD1 3.76Å; F440-Y461 HydrophobicContact CZ-CE1 4.23Å; D458-Y461 VanDerWaalsContact CG-CB 3.42Å; D458-Y461 PolarHBondContact O-N 3.31Å; D458-Y461 PolarHBondContact OD1-N 3.03Å; D458-Y461 WeakPolarHBondContact OD2-CB 3.45Å; E459-Y461 VanDerWaalsContact C-N 3.32Å; Y461-T463 VanDerWaalsContact C-N 3.3Å; Y461-T463 PolarHBondContact O-N 3.2Å; Y461-A464 WeakPolarHBondContact O-CB 3.24Å; Y461-A464 PolarHBondContact O-N 3.29Å; Y461-A464 VanDerWaalsContact O-N 3.12Å; Y461-L465 HydrophobicContact CD1-CD1 4.32Å; Y461-L465 HydrophobicContact CE1-CD1 3.73Å; Y461-L465 HydrophobicContact CE1-CG 4.15Å; Y461-L465 HydrophobicContact CE2-CD2 4.26Å; Y461-L465 HydrophobicContact CE2-CG 4.42Å; Y461-L465 PolarHBondContact O-N 2.91Å
462V98.4Very high94.9Very high9 Ų956.4 Ų56.46%0.05529%0.287CS..Hα-helixtrans-58.5-46.4173.7175.90000109.9A437 F440 Y457 D458 E459 A464 L465 E466A437-V462 HydrophobicContact CB-CG1 4.17Å; A437-V462 HydrophobicContact CB-CG2 4.23Å; F440-V462 HydrophobicContact CD2-CG2 3.98Å; F440-V462 HydrophobicContact CE2-CG2 4.17Å; Y457-V462 HydrophobicContact CE1-CG2 4.42Å; D458-V462 PolarHBondContact O-N 2.83Å; D458-V462 VanDerWaalsContact O-N 3.14Å; E459-V462 PolarHBondContact O-N 2.88Å; V462-A464 VanDerWaalsContact C-N 3.28Å; V462-A464 PolarHBondContact O-N 3.23Å; V462-L465 WeakPolarHBondContact O-CB 3.29Å; V462-L465 PolarHBondContact O-N 2.87Å; V462-E466 WeakPolarHBondContact O-CG 3.41Å; V462-E466 PolarHBondContact O-N 3.14Å
463T98.6Very high95.8Very high51 Ų5151.5 Ų51.531%0.31326%0.261SS..Hα-helixtrans-56.2-42.1175-56.50000111.7E459 D460 Y461 L465 E466 Y467E459-T463 WeakPolarHBondContact O-CB 3.4Å; E459-T463 PolarHBondContact O-N 3.3Å; E459-T463 PolarHBondContact O-OG1 3Å; D460-T463 WeakPolarHBondContact O-CB 3.17Å; D460-T463 PolarHBondContact O-N 3.19Å; Y461-T463 VanDerWaalsContact C-N 3.3Å; Y461-T463 PolarHBondContact O-N 3.2Å; T463-L465 VanDerWaalsContact C-N 3.34Å; T463-L465 PolarHBondContact O-N 2.85Å; T463-E466 WeakPolarHBondContact O-CB 3.34Å; T463-E466 PolarHBondContact O-N 3.4Å; T463-Y467 HydrophobicContact CG2-CD2 4.46Å; T463-Y467 HydrophobicContact CG2-CE2 4.05Å; T463-Y467 VanDerWaalsContact O-CD2 3.27Å; T463-Y467 WeakPolarHBondContact O-CD2 3.22Å; T463-Y467 PolarHBondContact O-N 3.44Å
464A98.7Very high96.5Very high15 Ų1547.3 Ų47.312%0.12424%0.242CC..Hα-helixtrans-63-39.4176.400000112.3R246 V249 D460 Y461 V462 E466 Y467R246-A464 HydrophobicContact CG-CB 3.83Å; V249-A464 WeakPolarHBondContact CG1-O 3.29Å; D460-A464 PolarHBondContact O-N 2.98Å; Y461-A464 WeakPolarHBondContact O-CB 3.24Å; Y461-A464 PolarHBondContact O-N 3.29Å; Y461-A464 VanDerWaalsContact O-N 3.12Å; V462-A464 VanDerWaalsContact C-N 3.28Å; V462-A464 PolarHBondContact O-N 3.23Å; A464-E466 VanDerWaalsContact C-N 3.32Å; A464-Y467 PolarHBondContact O-N 3.4Å
465L98.6Very high97.2Very high5 Ų547.2 Ų47.23%0.02624%0.241CC..Hα-helixtrans-65.4-34.8174.7-64.7-175.8000112.4A433 Q436 Y461 V462 T463 Y467 G468 L469A433-L465 HydrophobicContact CB-CB 3.78Å; Q436-L465 HydrophobicContact CB-CD1 3.71Å; Q436-L465 HydrophobicContact CG-CD1 3.65Å; Y461-L465 HydrophobicContact CD1-CD1 4.32Å; Y461-L465 HydrophobicContact CE1-CD1 3.73Å; Y461-L465 HydrophobicContact CE1-CG 4.15Å; Y461-L465 HydrophobicContact CE2-CD2 4.26Å; Y461-L465 HydrophobicContact CE2-CG 4.42Å; Y461-L465 PolarHBondContact O-N 2.91Å; V462-L465 WeakPolarHBondContact O-CB 3.29Å; V462-L465 PolarHBondContact O-N 2.87Å; T463-L465 VanDerWaalsContact C-N 3.34Å; T463-L465 PolarHBondContact O-N 2.85Å; L465-Y467 PolarHBondContact O-N 3.42Å; L465-G468 VanDerWaalsContact O-CA 3.3Å; L465-G468 WeakPolarHBondContact O-CA 3.35Å; L465-G468 PolarHBondContact O-N 3.47Å; L465-L469 HydrophobicContact CD2-CB 3.6Å; L465-L469 HydrophobicContact CD2-CD2 3.55Å; L465-L469 HydrophobicContact CD2-CG 4.2Å
466E98.6Very high97.7Very high137 Ų13747.2 Ų47.264%0.6424%0.244SC*.Hα-helixtrans-63.2-27175.7-66.8173.8157.200112.9A433 V462 T463 A464 G468A433-E466 HydrophobicContact CB-CG 3.86Å; V462-E466 WeakPolarHBondContact O-CG 3.41Å; V462-E466 PolarHBondContact O-N 3.14Å; T463-E466 WeakPolarHBondContact O-CB 3.34Å; T463-E466 PolarHBondContact O-N 3.4Å; A464-E466 VanDerWaalsContact C-N 3.32Å; E466-G468 PolarHBondContact O-N 2.97Å
467Y98.7Very high98.2Very high196 Ų19644.2 Ų44.277%0.76923%0.231SC*.THydrogen-bonded Turntrans-72.8-13.5169.5-78.8-78.6000113.4T463 A464 L465T463-Y467 HydrophobicContact CG2-CD2 4.46Å; T463-Y467 HydrophobicContact CG2-CE2 4.05Å; T463-Y467 VanDerWaalsContact O-CD2 3.27Å; T463-Y467 WeakPolarHBondContact O-CD2 3.22Å; T463-Y467 PolarHBondContact O-N 3.44Å; A464-Y467 PolarHBondContact O-N 3.4Å; L465-Y467 PolarHBondContact O-N 3.42Å
468G98.4Very high98.4Very high40 Ų4040.6 Ų40.641%0.41222%0.22SC..THydrogen-bonded Turntrans103101.7174.700000113.1L465 E466L465-G468 VanDerWaalsContact O-CA 3.3Å; L465-G468 WeakPolarHBondContact O-CA 3.35Å; L465-G468 PolarHBondContact O-N 3.47Å; E466-G468 PolarHBondContact O-N 2.97Å
469L98.8Very high98.5Very high7 Ų740 Ų404%0.03722%0.217CC..PPolyproline II helixtrans-83.4118.4161.317362.8000108.5K245 V248 V249 E429 N431 L465K245-L469 HydrophobicContact CD-CD2 4.39Å; V248-L469 HydrophobicContact CB-CD1 3.76Å; V248-L469 HydrophobicContact CG1-CD1 3.68Å; V249-L469 HydrophobicContact CG2-CB 3.81Å; V249-L469 HydrophobicContact CG2-CD1 4.18Å; E429-L469 HydrophobicContact CB-CD2 4.47Å; N431-L469 HydrophobicContact CB-CB 3.83Å; N431-L469 HydrophobicContact CB-CD2 3.86Å; N431-L469 HydrophobicContact CB-CG 3.82Å; N431-L469 WeakPolarHBondContact CB-O 3.3Å; N431-L469 PolarHBondContact ND2-O 3.49Å; L465-L469 HydrophobicContact CD2-CB 3.6Å; L465-L469 HydrophobicContact CD2-CD2 3.55Å; L465-L469 HydrophobicContact CD2-CG 4.2Å
470P98.8Very high98.6Very high27 Ų2733.3 Ų33.318%0.17519%0.186CC..PPolyproline II helixtrans-58.1157172.224.2-35.5000110.9V248 A283 Y284 T472V248-P470 HydrophobicContact CG1-CG 3.75Å; A283-P470 HydrophobicContact CB-CB 4.41Å; A283-P470 HydrophobicContact CB-CG 3.95Å; Y284-P470 HydrophobicContact CD1-CB 4.43Å; Y284-P470 HydrophobicContact CE1-CB 3.84Å; P470-T472 PolarHBondContact O-N 3.11Å; P470-T472 PolarHBondContact O-OG1 2.99Å
471P98.8Very high98.6Very high80 Ų8031.3 Ų31.352%0.51917%0.171SC..SBendtrans-49.2122.6169.4-24.633.9000108.9A283 Y284A283-P471 CarbonylContact C-O 3.44Å; Y284-P471 WeakPolarHBondContact CA-O 3.36Å; Y284-P471 PolarHBondContact N-O 3.36Å
472T98.9Very high98.6Very high3 Ų331.3 Ų31.32%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-137.5151.6-169.4-63.10000107.9V248 Y281 M282 A285 E429 P470V248-T472 HydrophobicContact CG1-CG2 4.4Å; Y281-T472 HydrophobicContact CD1-CG2 4.05Å; M282-T472 WeakPolarHBondContact O-CA 3.35Å; A285-T472 CarbonylContact O-C 3.51Å; E429-T472 VanDerWaalsContact CB-O 3.3Å; E429-T472 WeakPolarHBondContact CB-O 3.25Å; E429-T472 HydrophobicContact CG-CG2 3.82Å; E429-T472 WeakPolarHBondContact CG-O 3.25Å; E429-T472 PolarHBondContact N-O 3.03Å; P470-T472 PolarHBondContact O-N 3.11Å; P470-T472 PolarHBondContact O-OG1 2.99Å
473A98.9Very high98.6Very high0 Ų030.9 Ų30.90%017%0.168CC..EExtended strand (participates in β ladder)trans-119.9133.4165.400000109.4M282 A285 D286 L290 F427M282-A473 PolarHBondContact N-O 3.47Å; M282-A473 PolarHBondContact O-N 3.47Å; A285-A473 HydrophobicContact CB-CB 4.04Å; A285-A473 PolarHBondContact O-N 2.67Å; D286-A473 VanDerWaalsContact C-CB 3.44Å; D286-A473 VanDerWaalsContact O-CB 3.28Å; D286-A473 WeakPolarHBondContact O-CB 3.33Å; L290-A473 HydrophobicContact CD1-CB 3.47Å; L290-A473 VanDerWaalsContact CD1-CB 3.47Å; L290-A473 HydrophobicContact CD2-CB 4.14Å; L290-A473 HydrophobicContact CG-CB 3.55Å; F427-A473 WeakPolarHBondContact O-CA 3.29Å
474G98.7Very high98.5Very high2 Ų228.6 Ų28.62%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-119.2147.3176.200000113.1L280 L290 G426 F427 E429L280-G474 CarbonylContact O-C 3.51Å; L280-G474 WeakPolarHBondContact O-CA 3.25Å; L290-G474 VanDerWaalsContact CD1-C 3.41Å; L290-G474 WeakPolarHBondContact CD1-O 3.48Å; G426-G474 CarbonylContact C-O 3.46Å; G426-G474 WeakPolarHBondContact CA-O 3.21Å; F427-G474 PolarHBondContact N-O 3.42Å; F427-G474 PolarHBondContact O-N 3.01Å; F427-G474 VanDerWaalsContact O-N 3.12Å; E429-G474 WeakPolarHBondContact OE1-CA 3.43Å; E429-G474 PolarHBondContact OE1-N 3.21Å
475L98.8Very high98.4Very high2 Ų228 Ų281%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-134.6128.7-178.6170.471.8000110.2E279 L280 L290 T294 F414 I477E279-L475 CarbonylContact C-O 3.58Å; E279-L475 VanDerWaalsContact CA-O 3.3Å; E279-L475 WeakPolarHBondContact CA-O 3.16Å; L280-L475 HydrophobicContact CD1-CB 4.08Å; L280-L475 HydrophobicContact CD2-CB 4.25Å; L280-L475 HydrophobicContact CD2-CD2 3.88Å; L280-L475 HydrophobicContact CD2-CG 4.47Å; L280-L475 HydrophobicContact CG-CB 3.91Å; L280-L475 HydrophobicContact CG-CD2 4.47Å; L280-L475 PolarHBondContact N-O 3.38Å; L280-L475 PolarHBondContact O-N 3.25Å; L290-L475 HydrophobicContact CD1-CB 4.08Å; L290-L475 HydrophobicContact CD2-CB 4.12Å; T294-L475 WeakPolarHBondContact OG1-CD2 3.34Å; F414-L475 HydrophobicContact CE2-CD1 4.1Å; F414-L475 HydrophobicContact CZ-CD1 3.84Å; L475-I477 HydrophobicContact CD1-CG1 4.14Å; L475-I477 HydrophobicContact CD2-CD1 3.7Å; L475-I477 HydrophobicContact CD2-CG1 3.84Å; L475-I477 HydrophobicContact CG-CD1 4.28Å; L475-I477 HydrophobicContact CG-CG1 3.84Å
476G98.6Very high98.4Very high11 Ų1128.2 Ų28.211%0.11315%0.149CC..EExtended strand (participates in β ladder)trans-102.7134.3164.800000111.6M278 G424 N425M278-G476 CarbonylContact O-C 3.5Å; M278-G476 WeakPolarHBondContact O-CA 3.48Å; G424-G476 CarbonylContact C-O 3.57Å; G424-G476 WeakPolarHBondContact CA-O 3.34Å; N425-G476 PolarHBondContact N-O 3.48Å; N425-G476 PolarHBondContact O-N 3.35Å
477I98.8Very high98.3Very high1 Ų122.5 Ų22.51%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-126.8126.9173.6-54.2-169.6000110.7M277 M278 L297 F298 L475 I479 M482M277-I477 WeakPolarHBondContact CA-O 3.36Å; M278-I477 HydrophobicContact CB-CB 4.49Å; M278-I477 HydrophobicContact CE-CB 4.09Å; M278-I477 HydrophobicContact CE-CD1 3.35Å; M278-I477 HydrophobicContact CE-CG1 3.69Å; M278-I477 PolarHBondContact N-O 3.12Å; M278-I477 PolarHBondContact O-N 3.44Å; L297-I477 HydrophobicContact CD2-CD1 3.58Å; F298-I477 HydrophobicContact CE2-CD1 4.14Å; F298-I477 HydrophobicContact CE2-CG2 4.49Å; F298-I477 HydrophobicContact CZ-CG2 4.34Å; L475-I477 HydrophobicContact CD1-CG1 4.14Å; L475-I477 HydrophobicContact CD2-CD1 3.7Å; L475-I477 HydrophobicContact CD2-CG1 3.84Å; L475-I477 HydrophobicContact CG-CD1 4.28Å; L475-I477 HydrophobicContact CG-CG1 3.84Å; I477-I479 HydrophobicContact CG2-CD1 4.44Å; I477-I479 PolarHBondContact O-N 3.04Å; I477-M482 HydrophobicContact CG2-CE 3.71Å
478G98.2Very high98.3Very high10 Ų1015.5 Ų15.510%0.10310%0.099CC..EExtended strand (participates in β ladder)trans-70.492.2171.500000111.7M277 I423 D480 R481 M482M277-G478 WeakPolarHBondContact SD-CA 3.3Å; I423-G478 PolarHBondContact O-N 2.87Å; G478-D480 VanDerWaalsContact C-N 3.33Å; G478-D480 PolarHBondContact O-N 3.22Å; G478-R481 PolarHBondContact O-N 2.83Å; G478-R481 VanDerWaalsContact O-N 3.16Å; G478-M482 PolarHBondContact O-N 3.4Å
479I98.7Very high98.2Very high0 Ų013.8 Ų13.80%08%0.081CC..Hα-helixtrans-59.6-43.9-177.1-64.4-56000111L191 I194 I258 T276 M278 I477 R481 M482 I483L191-I479 HydrophobicContact CD2-CG2 3.83Å; I194-I479 HydrophobicContact CD1-CD1 3.68Å; I258-I479 HydrophobicContact CG2-CG1 4.36Å; T276-I479 HydrophobicContact CG2-CB 3.75Å; T276-I479 HydrophobicContact CG2-CG1 3.92Å; T276-I479 HydrophobicContact CG2-CG2 3.98Å; T276-I479 WeakPolarHBondContact O-CB 3.32Å; T276-I479 PolarHBondContact O-N 3.27Å; T276-I479 VanDerWaalsContact O-N 3.07Å; M278-I479 HydrophobicContact CB-CD1 3.85Å; M278-I479 HydrophobicContact CB-CG1 4.1Å; I477-I479 HydrophobicContact CG2-CD1 4.44Å; I477-I479 PolarHBondContact O-N 3.04Å; I479-R481 VanDerWaalsContact C-N 3.31Å; I479-R481 PolarHBondContact O-N 3.02Å; I479-M482 WeakPolarHBondContact O-CB 3.22Å; I479-M482 PolarHBondContact O-N 2.85Å; I479-M482 VanDerWaalsContact O-N 3.15Å; I479-I483 HydrophobicContact CG2-CD1 4.49Å; I479-I483 HydrophobicContact CG2-CG1 4.25Å; I479-I483 VanDerWaalsContact O-CG1 3.3Å; I479-I483 WeakPolarHBondContact O-CG1 3.44Å; I479-I483 PolarHBondContact O-N 2.93Å
480D98.4Very high98Very high4 Ų417.8 Ų17.82%0.02110%0.099CC..Hα-helixtrans-61.5-40.8179.7-60.8-49.1000112R187 F275 T276 G478 I483 M484 I492 V495R187-D480 IonicContact CZ-OD1 3.39Å; R187-D480 IonicContact NH1-OD1 3.42Å; R187-D480 PolarHBondContact NH1-OD1 3.24Å; R187-D480 IonicContact NH2-OD1 3.43Å; R187-D480 PolarHBondContact NH2-OD1 3.47Å; F275-D480 WeakPolarHBondContact CA-OD2 3.42Å; F275-D480 WeakPolarHBondContact CB-OD2 3.35Å; T276-D480 PolarHBondContact N-OD2 2.88Å; G478-D480 VanDerWaalsContact C-N 3.33Å; G478-D480 PolarHBondContact O-N 3.22Å; D480-I483 PolarHBondContact O-N 3.23Å; D480-M484 WeakPolarHBondContact O-CG 2.99Å; D480-M484 PolarHBondContact O-N 3.47Å; D480-I492 HydrophobicContact CB-CD1 3.78Å; D480-I492 HydrophobicContact CB-CG1 3.9Å; D480-V495 HydrophobicContact CB-CG2 4.26Å
481R97.4Very high97.8Very high57 Ų5717.3 Ų17.322%0.21510%0.096CC..Hα-helixtrans-65.3-41.6174.8-64.3-175.8-177.8164.41.8110.9H271 E422 I423 G478 I479 I483 M484 L485H271-R481 PolarHBondContact NE2-NH2 3.35Å; H271-R481 VanDerWaalsContact NE2-NH2 3.17Å; E422-R481 WeakPolarHBondContact O-CD 3.24Å; E422-R481 PolarHBondContact O-NH1 3.33Å; E422-R481 IonicContact OE2-CZ 3.17Å; E422-R481 IonicContact OE2-NH1 2.73Å; E422-R481 PolarHBondContact OE2-NH1 2.88Å; I423-R481 HydrophobicContact CD1-CB 3.88Å; G478-R481 PolarHBondContact O-N 2.83Å; G478-R481 VanDerWaalsContact O-N 3.16Å; I479-R481 VanDerWaalsContact C-N 3.31Å; I479-R481 PolarHBondContact O-N 3.02Å; R481-I483 PolarHBondContact O-N 3.45Å; R481-M484 WeakPolarHBondContact O-CB 3.19Å; R481-M484 PolarHBondContact O-N 3.32Å; R481-L485 WeakPolarHBondContact O-CG 3.43Å; R481-L485 PolarHBondContact O-N 3.19Å; R481-L485 VanDerWaalsContact O-N 3.16Å
482M98Very high97.7Very high0 Ų013.8 Ų13.80%07%0.073CC..Hα-helixtrans-58-47173178.8-167.2-78.200111.7I190 I194 L297 F298 L301 I477 G478 I479 M484 L485 F486I190-M482 HydrophobicContact CG2-SD 3.92Å; I194-M482 HydrophobicContact CD1-SD 3.9Å; L297-M482 HydrophobicContact CD2-CE 4.45Å; F298-M482 HydrophobicContact CD1-CE 4.47Å; F298-M482 HydrophobicContact CD2-CE 4.23Å; F298-M482 HydrophobicContact CE1-CE 3.8Å; F298-M482 HydrophobicContact CE1-CG 4Å; F298-M482 HydrophobicContact CE2-CE 3.53Å; F298-M482 HydrophobicContact CZ-CE 3.27Å; F298-M482 HydrophobicContact CZ-CG 4.25Å; L301-M482 HydrophobicContact CD1-CE 4.09Å; L301-M482 HydrophobicContact CD1-SD 3.83Å; I477-M482 HydrophobicContact CG2-CE 3.71Å; G478-M482 PolarHBondContact O-N 3.4Å; I479-M482 WeakPolarHBondContact O-CB 3.22Å; I479-M482 PolarHBondContact O-N 2.85Å; I479-M482 VanDerWaalsContact O-N 3.15Å; M482-M484 VanDerWaalsContact C-N 3.3Å; M482-M484 PolarHBondContact O-N 3.34Å; M482-L485 PolarHBondContact O-N 3.38Å; M482-F486 HydrophobicContact CG-CD2 4.11Å; M482-F486 HydrophobicContact CG-CE2 4.05Å; M482-F486 VanDerWaalsContact O-CD2 3.3Å; M482-F486 WeakPolarHBondContact O-CD2 3.5Å; M482-F486 PolarHBondContact O-N 3.17Å; M482-F486 VanDerWaalsContact O-N 3.08Å
483I98.3Very high97.6Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-59-44.9177.1-58.1-46.2000110R187 I190 I479 D480 R481 L485 F486 T487 V495R187-I483 HydrophobicContact CB-CD1 4.37Å; R187-I483 HydrophobicContact CB-CG1 4.33Å; R187-I483 HydrophobicContact CB-CG2 3.96Å; R187-I483 HydrophobicContact CG-CD1 4.25Å; R187-I483 HydrophobicContact CG-CG1 4.01Å; R187-I483 HydrophobicContact CG-CG2 4.39Å; I190-I483 HydrophobicContact CB-CD1 3.71Å; I190-I483 HydrophobicContact CD1-CD1 3.63Å; I190-I483 HydrophobicContact CG1-CD1 4.24Å; I190-I483 HydrophobicContact CG2-CD1 3.59Å; I479-I483 HydrophobicContact CG2-CD1 4.49Å; I479-I483 HydrophobicContact CG2-CG1 4.25Å; I479-I483 VanDerWaalsContact O-CG1 3.3Å; I479-I483 WeakPolarHBondContact O-CG1 3.44Å; I479-I483 PolarHBondContact O-N 2.93Å; D480-I483 PolarHBondContact O-N 3.23Å; R481-I483 PolarHBondContact O-N 3.45Å; I483-L485 VanDerWaalsContact C-N 3.27Å; I483-L485 PolarHBondContact O-N 3.31Å; I483-F486 PolarHBondContact O-N 2.65Å; I483-F486 VanDerWaalsContact O-N 3.11Å; I483-T487 HydrophobicContact CG2-CG2 3.93Å; I483-T487 PolarHBondContact O-N 2.87Å; I483-T487 PolarHBondContact O-OG1 3.31Å; I483-V495 HydrophobicContact CB-CB 4.16Å; I483-V495 HydrophobicContact CB-CG1 4.17Å; I483-V495 HydrophobicContact CG2-CB 3.78Å; I483-V495 HydrophobicContact CG2-CG1 3.62Å
484M98Very high97.5Very high4 Ų418 Ų182%0.029%0.091CC..Hα-helixtrans-53.5-44.3178.4-74.6173.265.900112.7D480 R481 M482 N488 S489 I492 V495D480-M484 WeakPolarHBondContact O-CG 2.99Å; D480-M484 PolarHBondContact O-N 3.47Å; R481-M484 WeakPolarHBondContact O-CB 3.19Å; R481-M484 PolarHBondContact O-N 3.32Å; M482-M484 VanDerWaalsContact C-N 3.3Å; M482-M484 PolarHBondContact O-N 3.34Å; M484-N488 PolarHBondContact O-N 3.32Å; M484-N488 VanDerWaalsContact O-N 3.16Å; M484-S489 VanDerWaalsContact CB-O 3.31Å; M484-S489 WeakPolarHBondContact CB-O 3.46Å; M484-S489 WeakPolarHBondContact CE-O 3.2Å; M484-S489 PolarHBondContact O-N 3.39Å; M484-I492 WeakPolarHBondContact SD-CA 3.22Å; M484-I492 HydrophobicContact SD-CB 3.8Å; M484-I492 HydrophobicContact SD-CG1 4.2Å; M484-I492 PolarHBondContact SD-N 3.03Å; M484-V495 HydrophobicContact CB-CG1 4.46Å; M484-V495 HydrophobicContact CG-CB 4.42Å; M484-V495 HydrophobicContact CG-CG1 3.82Å; M484-V495 HydrophobicContact CG-CG2 3.68Å
485L96.9Very high97.5Very high2 Ų217.9 Ų17.91%0.019%0.09CC..Hα-helixtrans-65.5-46.2178.1-58.7175.9000111.3V311 Y313 F318 I418 I423 R481 M482 I483 T487 N488V311-L485 WeakPolarHBondContact CG1-O 3.43Å; Y313-L485 HydrophobicContact CD1-CD2 4.42Å; Y313-L485 HydrophobicContact CD2-CD2 4.16Å; Y313-L485 HydrophobicContact CE1-CD2 4.38Å; Y313-L485 HydrophobicContact CE2-CD2 4.16Å; Y313-L485 HydrophobicContact CG-CD2 4.31Å; F318-L485 HydrophobicContact CE2-CD2 3.76Å; F318-L485 HydrophobicContact CZ-CD2 4.33Å; I418-L485 HydrophobicContact CB-CD1 3.82Å; I418-L485 HydrophobicContact CD1-CD1 3.73Å; I418-L485 HydrophobicContact CG1-CD1 4.3Å; I418-L485 HydrophobicContact CG2-CD1 4.02Å; I423-L485 HydrophobicContact CD1-CD1 3.62Å; I423-L485 HydrophobicContact CD1-CG 4.34Å; I423-L485 HydrophobicContact CG1-CD1 3.9Å; R481-L485 WeakPolarHBondContact O-CG 3.43Å; R481-L485 PolarHBondContact O-N 3.19Å; R481-L485 VanDerWaalsContact O-N 3.16Å; M482-L485 PolarHBondContact O-N 3.38Å; I483-L485 VanDerWaalsContact C-N 3.27Å; I483-L485 PolarHBondContact O-N 3.31Å; L485-T487 VanDerWaalsContact C-N 3.31Å; L485-T487 PolarHBondContact O-N 3.12Å; L485-N488 PolarHBondContact O-N 3.33Å
486F97.6Very high97.4Very high10 Ų1018.7 Ų18.74%0.0449%0.094CC..Hα-helixtrans-71.1-24.5-176.2-83.6-125.6000113.5I190 F298 L301 A302 L306 F320 M482 I483I190-F486 HydrophobicContact CD1-CB 3.5Å; I190-F486 HydrophobicContact CD1-CD1 3.52Å; I190-F486 HydrophobicContact CD1-CE1 4.44Å; I190-F486 HydrophobicContact CD1-CG 3.72Å; I190-F486 HydrophobicContact CG1-CD1 4.17Å; F298-F486 HydrophobicContact CD1-CE2 4.01Å; F298-F486 HydrophobicContact CD1-CZ 4.39Å; F298-F486 HydrophobicContact CE1-CE2 4.32Å; L301-F486 HydrophobicContact CB-CE1 3.77Å; L301-F486 HydrophobicContact CB-CZ 4.01Å; A302-F486 HydrophobicContact CB-CE1 4.03Å; A302-F486 HydrophobicContact CB-CZ 4.06Å; L306-F486 HydrophobicContact CD1-CB 4.22Å; L306-F486 HydrophobicContact CD1-CD1 3.69Å; L306-F486 HydrophobicContact CD1-CE1 4.33Å; L306-F486 HydrophobicContact CD1-CG 4.1Å; L306-F486 HydrophobicContact CG-CD1 4.08Å; F320-F486 HydrophobicContact CE2-CE2 4.09Å; F320-F486 HydrophobicContact CE2-CZ 4.45Å; F320-F486 HydrophobicContact CZ-CE2 4.24Å; M482-F486 HydrophobicContact CG-CD2 4.11Å; M482-F486 HydrophobicContact CG-CE2 4.05Å; M482-F486 VanDerWaalsContact O-CD2 3.3Å; M482-F486 WeakPolarHBondContact O-CD2 3.5Å; M482-F486 PolarHBondContact O-N 3.17Å; M482-F486 VanDerWaalsContact O-N 3.08Å; I483-F486 PolarHBondContact O-N 2.65Å; I483-F486 VanDerWaalsContact O-N 3.11Å
487T97.6Very high97.4Very high17 Ų1721.6 Ų21.610%0.10411%0.106CC..THydrogen-bonded Turntrans-105.85.9-179.161.70000113.6T183 V186 I483 L485 S489T183-T487 HydrophobicContact CG2-CG2 4.03Å; V186-T487 HydrophobicContact CB-CG2 3.94Å; V186-T487 HydrophobicContact CG1-CG2 3.63Å; I483-T487 HydrophobicContact CG2-CG2 3.93Å; I483-T487 PolarHBondContact O-N 2.87Å; I483-T487 PolarHBondContact O-OG1 3.31Å; L485-T487 VanDerWaalsContact C-N 3.31Å; L485-T487 PolarHBondContact O-N 3.12Å; T487-S489 VanDerWaalsContact C-N 3.3Å; T487-S489 PolarHBondContact O-N 3.22Å; T487-S489 PolarHBondContact OG1-OG 2.68Å
488N97.5Very high97.4Very high48 Ų4828.1 Ų28.126%0.25714%0.135SC..THydrogen-bonded Turntrans51.550.1-175.2-167.313.3000111.8Y313 G314 M484 L485 H490Y313-N488 WeakPolarHBondContact CA-OD1 3.3Å; G314-N488 PolarHBondContact N-OD1 3.2Å; M484-N488 PolarHBondContact O-N 3.32Å; M484-N488 VanDerWaalsContact O-N 3.16Å; L485-N488 PolarHBondContact O-N 3.33Å; N488-H490 PolarHBondContact OD1-CE1 3.02Å; N488-H490 PolarHBondContact OD1-NE2 3.42Å
489S96.7Very high97.3Very high4 Ų428 Ų283%0.02813%0.133CC..  trans-109.6120.4-179.3-57.80000110.3M484 T487M484-S489 VanDerWaalsContact CB-O 3.31Å; M484-S489 WeakPolarHBondContact CB-O 3.46Å; M484-S489 WeakPolarHBondContact CE-O 3.2Å; M484-S489 PolarHBondContact O-N 3.39Å; T487-S489 VanDerWaalsContact C-N 3.3Å; T487-S489 PolarHBondContact O-N 3.22Å; T487-S489 PolarHBondContact OG1-OG 2.68Å
490H95Very high97.1Very high91 Ų9129.6 Ų29.642%0.42115%0.146SC..SBendtrans-91.9-3.3-171.6-63.1-62.7000114.6Y313 G314 N488Y313-H490 AromaticContact CE1-CE1 3.92Å; Y313-H490 AromaticContact CE1-ND1 3.72Å; Y313-H490 AromaticContact CE2-CE1 3.86Å; Y313-H490 AromaticContact CE2-ND1 3.64Å; Y313-H490 AromaticContact CZ-CE1 3.72Å; Y313-H490 AromaticContact CZ-ND1 3.25Å; Y313-H490 VanDerWaalsContact CZ-ND1 3.25Å; Y313-H490 PolarHBondContact OH-ND1 3.37Å; G314-H490 VanDerWaalsContact CA-CE1 3.48Å; G314-H490 WeakPolarHBondContact CA-CE1 3.43Å; G314-H490 PolarHBondContact N-CE1 2.8Å; G314-H490 VanDerWaalsContact N-CE1 3.32Å; N488-H490 PolarHBondContact OD1-CE1 3.02Å; N488-H490 PolarHBondContact OD1-NE2 3.42Å
491T95Very high96.8Very high18 Ų1831.5 Ų31.511%0.1116%0.155CC..SBendtrans-131.8142.4169.8179.30000111.1Y167 V269 R493 D494Y167-T491 VanDerWaalsContact OH-CG2 3.28Å; Y167-T491 WeakPolarHBondContact OH-CG2 3.49Å; V269-T491 CarbonylContact O-C 3.54Å; V269-T491 VanDerWaalsContact O-CA 3.32Å; V269-T491 WeakPolarHBondContact O-CA 3.5Å; V269-T491 PolarHBondContact O-OG1 2.84Å; T491-R493 HydrophobicContact CG2-CB 4.28Å; T491-R493 PolarHBondContact O-N 3.25Å; T491-R493 VanDerWaalsContact O-N 3.14Å; T491-R493 PolarHBondContact OG1-N 2.97Å; T491-D494 HydrophobicContact CG2-CB 4.21Å; T491-D494 VanDerWaalsContact CG2-CG 3.49Å; T491-D494 WeakPolarHBondContact CG2-OD2 3.39Å; T491-D494 WeakPolarHBondContact O-CB 3.33Å; T491-D494 PolarHBondContact O-N 3.16Å
492I96.4Very high96.5Very high6 Ų637.7 Ų37.73%0.03118%0.178CC..G310 helixtrans-58.8-26.2176.7-163.2169.8000112.3V269 R270 N272 D480 M484 D494 V495 I496V269-I492 PolarHBondContact O-N 3.11Å; R270-I492 WeakPolarHBondContact O-CD1 3.31Å; N272-I492 HydrophobicContact CB-CD1 4.38Å; N272-I492 HydrophobicContact CB-CG2 4.48Å; D480-I492 HydrophobicContact CB-CD1 3.78Å; D480-I492 HydrophobicContact CB-CG1 3.9Å; M484-I492 WeakPolarHBondContact SD-CA 3.22Å; M484-I492 HydrophobicContact SD-CB 3.8Å; M484-I492 HydrophobicContact SD-CG1 4.2Å; M484-I492 PolarHBondContact SD-N 3.03Å; I492-D494 PolarHBondContact O-N 3.05Å; I492-V495 HydrophobicContact CG1-CG2 4.16Å; I492-V495 WeakPolarHBondContact O-CG2 3.37Å; I492-V495 PolarHBondContact O-N 2.89Å; I492-V495 VanDerWaalsContact O-N 3.11Å; I492-I496 HydrophobicContact CD1-CD1 4.18Å; I492-I496 HydrophobicContact CG1-CD1 3.88Å; I492-I496 HydrophobicContact CG1-CG1 4.36Å; I492-I496 PolarHBondContact O-N 3.14Å
493R96Very high96.1Very high58 Ų5843.2 Ų43.222%0.21921%0.214CC..G310 helixtrans-66.5-19.3177.3-61.3-173.8179.6168.60.4113.4Y167 R170 I267 T491 V495 P499Y167-R493 HydrophobicContact CD1-CB 4.07Å; Y167-R493 HydrophobicContact CD2-CB 4.1Å; Y167-R493 HydrophobicContact CE1-CB 3.73Å; Y167-R493 WeakPolarHBondContact CE1-O 3.48Å; Y167-R493 HydrophobicContact CE2-CB 3.76Å; Y167-R493 HydrophobicContact CE2-CG 4.44Å; Y167-R493 HydrophobicContact CG-CB 4.26Å; R170-R493 PolarHBondContact NH2-O 3.18Å; I267-R493 VanDerWaalsContact CG2-NH2 3.27Å; T491-R493 HydrophobicContact CG2-CB 4.28Å; T491-R493 PolarHBondContact O-N 3.25Å; T491-R493 VanDerWaalsContact O-N 3.14Å; T491-R493 PolarHBondContact OG1-N 2.97Å; R493-V495 VanDerWaalsContact C-N 3.34Å; R493-P499 HydrophobicContact CB-CB 4.11Å; R493-P499 HydrophobicContact CB-CG 4.02Å; R493-P499 HydrophobicContact CG-CB 3.87Å; R493-P499 HydrophobicContact CG-CG 4.19Å
494D97Very high95.3Very high33 Ų3350.2 Ų50.218%0.17625%0.247CC..G310 helixtrans-79.2-20.3175.6-73-19000112.4Y167 F184 T491 I492Y167-D494 WeakPolarHBondContact CE1-OD1 3.3Å; Y167-D494 PolarHBondContact OH-OD1 2.98Å; F184-D494 WeakPolarHBondContact CZ-O 3.34Å; T491-D494 HydrophobicContact CG2-CB 4.21Å; T491-D494 VanDerWaalsContact CG2-CG 3.49Å; T491-D494 WeakPolarHBondContact CG2-OD2 3.39Å; T491-D494 WeakPolarHBondContact O-CB 3.33Å; T491-D494 PolarHBondContact O-N 3.16Å; I492-D494 PolarHBondContact O-N 3.05Å
495V98.1Very high93.6Very high0 Ų063.4 Ų63.40%030%0.304CS..THydrogen-bonded Turntrans-108.8-1.8-176.8-57.50000113.7T183 R187 D480 I483 M484 I492 R493T183-V495 HydrophobicContact CG2-CG1 4.1Å; R187-V495 WeakPolarHBondContact CD-O 3.42Å; R187-V495 PolarHBondContact NH1-O 2.85Å; D480-V495 HydrophobicContact CB-CG2 4.26Å; I483-V495 HydrophobicContact CB-CB 4.16Å; I483-V495 HydrophobicContact CB-CG1 4.17Å; I483-V495 HydrophobicContact CG2-CB 3.78Å; I483-V495 HydrophobicContact CG2-CG1 3.62Å; M484-V495 HydrophobicContact CB-CG1 4.46Å; M484-V495 HydrophobicContact CG-CB 4.42Å; M484-V495 HydrophobicContact CG-CG1 3.82Å; M484-V495 HydrophobicContact CG-CG2 3.68Å; I492-V495 HydrophobicContact CG1-CG2 4.16Å; I492-V495 WeakPolarHBondContact O-CG2 3.37Å; I492-V495 PolarHBondContact O-N 2.89Å; I492-V495 VanDerWaalsContact O-N 3.11Å; R493-V495 VanDerWaalsContact C-N 3.34Å
496I98.1Very high93.4Very high19 Ų1966.5 Ų66.510%0.09732%0.319CS..SBendtrans-108.4126.9171.3-62.5178000108.6R170 N272 I492 F498 P499R170-I496 PolarHBondContact NH2-O 3.38Å; N272-I496 HydrophobicContact CB-CD1 3.61Å; I492-I496 HydrophobicContact CD1-CD1 4.18Å; I492-I496 HydrophobicContact CG1-CD1 3.88Å; I492-I496 HydrophobicContact CG1-CG1 4.36Å; I492-I496 PolarHBondContact O-N 3.14Å; I496-F498 VanDerWaalsContact C-N 3.34Å; I496-F498 PolarHBondContact O-N 3.3Å; I496-P499 HydrophobicContact CB-CB 4.35Å; I496-P499 HydrophobicContact CG2-CB 4.25Å; I496-P499 WeakPolarHBondContact O-CD 3.42Å
497L98.1Very high93.2Very high71 Ų7169.4 Ų69.437%0.37233%0.333SS..SBendtrans-60.6-45.2-178.6-78.3166.2000111.4R170 L174 F184R170-L497 WeakPolarHBondContact CB-O 3.07Å; R170-L497 HydrophobicContact CG-CD2 4.2Å; R170-L497 WeakPolarHBondContact CG-O 3.38Å; R170-L497 PolarHBondContact NE-O 3.16Å; L174-L497 HydrophobicContact CD1-CD2 4.21Å; F184-L497 HydrophobicContact CB-CD2 4.42Å; F184-L497 HydrophobicContact CD1-CD2 3.66Å; F184-L497 HydrophobicContact CD1-CG 3.7Å; F184-L497 HydrophobicContact CD2-CD2 3.66Å; F184-L497 HydrophobicContact CE1-CB 4.32Å; F184-L497 HydrophobicContact CE1-CD2 3.74Å; F184-L497 HydrophobicContact CE1-CG 3.67Å; F184-L497 HydrophobicContact CE2-CD2 3.75Å; F184-L497 HydrophobicContact CG-CD2 3.63Å; F184-L497 HydrophobicContact CG-CG 4.19Å; F184-L497 HydrophobicContact CZ-CD2 3.8Å; F184-L497 HydrophobicContact CZ-CG 4.14Å
498F97.6Very high92.9Very high139 Ų13972.3 Ų72.361%0.6135%0.346SS*.SBendtrans-127.974.4-177.8-56.4-75.3000109.9R170 I496R170-F498 HydrophobicContact CB-CD1 4.19Å; R170-F498 HydrophobicContact CB-CE1 3.9Å; R170-F498 HydrophobicContact CG-CE1 4.5Å; I496-F498 VanDerWaalsContact C-N 3.34Å; I496-F498 PolarHBondContact O-N 3.3Å
499P96.6Very high92.7Very high8 Ų873.8 Ų73.85%0.05235%0.351CS..  trans-65.8153.2179.130.3-33.9000110.1Y167 R493 I496 M501Y167-P499 HydrophobicContact CD1-CG 4.28Å; Y167-P499 HydrophobicContact CG-CG 4.15Å; R493-P499 HydrophobicContact CB-CB 4.11Å; R493-P499 HydrophobicContact CB-CG 4.02Å; R493-P499 HydrophobicContact CG-CB 3.87Å; R493-P499 HydrophobicContact CG-CG 4.19Å; I496-P499 HydrophobicContact CB-CB 4.35Å; I496-P499 HydrophobicContact CG2-CB 4.25Å; I496-P499 WeakPolarHBondContact O-CD 3.42Å; P499-M501 HydrophobicContact CG-SD 4.44Å; P499-M501 PolarHBondContact O-N 3.34Å
500A94.8Very high92.4Very high33 Ų3378.1 Ų78.127%0.27337%0.371SS..  trans-63.2129.5175.900000109.9I267 N272 P273I267-A500 HydrophobicContact CD1-CB 3.89Å; I267-A500 HydrophobicContact CG1-CB 4.39Å; N272-A500 PolarHBondContact OD1-N 2.69Å; P273-A500 HydrophobicContact CG-CB 4.07Å
501M92.6Very high92.3Very high43 Ų4377.3 Ų77.321%0.21237%0.368CS..  trans-117.7142.3179.8-62.8-58.2-72.200110E164 Y167 R168 P499E164-M501 HydrophobicContact CG-CE 3.66Å; Y167-M501 HydrophobicContact CD2-CE 4.43Å; Y167-M501 HydrophobicContact CD2-SD 4.45Å; R168-M501 HydrophobicContact CG-CB 4.46Å; R168-M501 HydrophobicContact CG-CE 4.03Å; R168-M501 HydrophobicContact CG-CG 4.1Å; P499-M501 HydrophobicContact CG-SD 4.44Å; P499-M501 PolarHBondContact O-N 3.34Å
502R90.1Very high92.1Very high187 Ų18781.5 Ų81.571%0.70639%0.386SS*.PPolyproline II helixtrans-59.9139.7169.6-67-176.4-179.3-179.50.3109.2R168R168-R502 VanDerWaalsContact CZ-O 3.25Å; R168-R502 PolarHBondContact NH1-O 3.41Å; R168-R502 PolarHBondContact NH2-O 2.77Å
503P89.6Confident91.7Very high117 Ų11787.3 Ų87.376%0.7641%0.414SS*.PPolyproline II helixtrans-56.5140.8174.1-25.934.9000111.6
504Q81.6Confident91.4Very high146 Ų14689.8 Ų89.868%0.68243%0.43SS*.PPolyproline II helixtrans-73.3128.8166.3-70.2-179.9-25.400107.5
505K62.4Low90.9Very high281 Ų28194.9 Ų94.9100%1.22245%0.453SS*.  trans-820174.5-78.4-170.6177.1-177.40111.2

Retrieved 505 of 505 residues in 776.6 ms (Link to these results)

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