A0A3Q2DBH4_CYPVA Loading...

Actin alpha 2, smooth muscle

AlphaFold DB , UniProt , Accession A0A3Q2DBH4, Species CYPVA (Cyprinodon variegatus, Sheepshead minnow), Gene n/a, Length 377 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
1M34.7Very low67.4Low241 Ų241102.1 Ų102.1100%1.18755%0.547SS*.  091.50-79.6171.2164.500104.4
2C34Very low69.9Low119 Ų11993.6 Ų93.680%0.80450%0.502SS*.  trans-76.2126.8171.4-66.40000105.1D4C2-D4 PolarHBondContact O-N 2.8Å; C2-D4 VanDerWaalsContact O-N 3.14Å
3D38.3Very low72.1Confident151 Ų15186.6 Ų86.681%0.80746%0.464SS*.  trans-57.4115.9165.1-67.2-43.3000106.3E5D3-E5 VanDerWaalsContact C-N 3.3Å; D3-E5 PolarHBondContact O-N 2.62Å
4D46.2Very low73.8Confident159 Ų15981 Ų8185%0.8543%0.434SS*.  trans-60.3101.4162.5-72.4-42.4000105C2 E6C2-D4 PolarHBondContact O-N 2.8Å; C2-D4 VanDerWaalsContact O-N 3.14Å; D4-E6 VanDerWaalsContact C-N 3.34Å; D4-E6 PolarHBondContact O-N 3.04Å
5E49Very low75.2Confident188 Ų18876.3 Ų76.388%0.87941%0.412SS*.  trans-57.7103172.5-80-173.8165.400107.1D3 S7D3-E5 VanDerWaalsContact C-N 3.3Å; D3-E5 PolarHBondContact O-N 2.62Å; E5-S7 PolarHBondContact O-N 3.22Å
6E67.2Low76.3Confident133 Ų13372 Ų7262%0.62139%0.39SS*.  trans-61.2111-177.8-159.6-179.4174.800108.5D4 T8 Q355D4-E6 VanDerWaalsContact C-N 3.34Å; D4-E6 PolarHBondContact O-N 3.04Å; E6-T8 PolarHBondContact O-N 2.74Å; E6-Q355 VanDerWaalsContact OE1-CD 3.23Å; E6-Q355 WeakPolarHBondContact OE1-CG 3.46Å; E6-Q355 PolarHBondContact OE1-NE2 2.81Å; E6-Q355 PolarHBondContact OE2-NE2 3.07Å
7S83.1Confident77.4Confident50 Ų5068.5 Ų68.535%0.3538%0.375SS..PPolyproline II helixtrans-62.6126.3-176.251.70000110.1E5 A9 E102 P104E5-S7 PolarHBondContact O-N 3.22Å; S7-A9 PolarHBondContact O-N 3.42Å; S7-E102 WeakPolarHBondContact CB-O 3.46Å; S7-E102 PolarHBondContact OG-O 3.48Å; S7-P104 WeakPolarHBondContact OG-CD 3.43Å
8T93.9Very high78.4Confident73 Ų7369.1 Ų69.145%0.44838%0.377SS..PPolyproline II helixtrans-62.3125.6-174-50.20000110.4E6 F23 H103E6-T8 PolarHBondContact O-N 2.74Å; T8-F23 HydrophobicContact CG2-CB 4.01Å; T8-F23 HydrophobicContact CG2-CD1 4.19Å; T8-H103 PolarHBondContact O-ND1 3.08Å
9A97.4Very high79.4Confident9 Ų965.5 Ų65.57%0.07436%0.357CS..PPolyproline II helixtrans-64145.8-179.100000112.3S7 A24 P104 A349 W358S7-A9 PolarHBondContact O-N 3.42Å; A9-A24 HydrophobicContact CB-CB 4.03Å; A9-A24 WeakPolarHBondContact O-CB 3.44Å; A9-A24 PolarHBondContact O-N 2.83Å; A9-P104 CarbonylContact C-O 3.58Å; A9-P104 VanDerWaalsContact CA-O 3.22Å; A9-P104 WeakPolarHBondContact CA-O 3.3Å; A9-P104 HydrophobicContact CB-CB 4.12Å; A9-A349 HydrophobicContact CB-CB 4.16Å; A9-W358 HydrophobicContact CB-CH2 3.92Å; A9-W358 HydrophobicContact CB-CZ2 3.7Å
10L98.4Very high80.4Confident0 Ų063.5 Ų63.50%035%0.345CS..EExtended strand (participates in β ladder)trans-89.8145.8170.5-54.3179.4000110G22 F23 F92 L96 V98 H103 P104 T105 L106L10-G22 WeakPolarHBondContact CA-O 3.23Å; L10-F23 HydrophobicContact CD2-CD1 3.63Å; L10-F23 HydrophobicContact CD2-CE1 3.52Å; L10-F23 HydrophobicContact CD2-CG 4.31Å; L10-F23 HydrophobicContact CD2-CZ 4.11Å; L10-F92 HydrophobicContact CD1-CD1 3.71Å; L10-F92 HydrophobicContact CD1-CE1 3.75Å; L10-L96 HydrophobicContact CD2-CD1 4.13Å; L10-V98 HydrophobicContact CD1-CG2 3.81Å; L10-V98 HydrophobicContact CD2-CG2 4.29Å; L10-H103 HydrophobicContact CD1-CB 3.87Å; L10-H103 HydrophobicContact CD2-CB 4.34Å; L10-H103 HydrophobicContact CG-CB 3.71Å; L10-P104 PolarHBondContact N-O 3.38Å; L10-T105 HydrophobicContact CB-CG2 4.43Å; L10-L106 PolarHBondContact O-N 2.95Å
11V98.7Very high81.3Confident0 Ų060.4 Ų60.40%033%0.328CS..EExtended strand (participates in β ladder)trans-122.4116.9174.4-179.90000108.8A21 G22 A24 L106 W342 A349V11-A21 VanDerWaalsContact O-CA 3.3Å; V11-A21 WeakPolarHBondContact O-CA 3.24Å; V11-G22 PolarHBondContact N-O 3.13Å; V11-G22 PolarHBondContact O-N 2.94Å; V11-G22 VanDerWaalsContact O-N 3.13Å; V11-A24 HydrophobicContact CG2-CB 4.26Å; V11-L106 HydrophobicContact CG1-CD2 4.2Å; V11-L106 HydrophobicContact CG2-CB 4.43Å; V11-W342 HydrophobicContact CB-CZ2 4.28Å; V11-W342 HydrophobicContact CG1-CG 4.26Å; V11-W342 PolarHBondContact O-NE1 3.01Å; V11-A349 HydrophobicContact CG2-CB 4.16Å
12C98.4Very high84.3Confident0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-118.7104.2-179.1-69.50000110.7L106 L107 T108C12-L106 PolarHBondContact N-O 3.11Å; C12-L107 HydrophobicContact CB-CD2 3.68Å; C12-L107 HydrophobicContact CB-CG 4.49Å; C12-L107 WeakPolarHBondContact O-CA 3.37Å; C12-T108 PolarHBondContact O-N 2.86Å; C12-T108 VanDerWaalsContact O-N 3.11Å
13D98.2Very high87.4Confident3 Ų344.3 Ų44.32%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-87.9109.7173175.436.1000111.3G15 C19 K20 T108 V341 W342D13-G15 PolarHBondContact O-N 3.27Å; D13-G15 VanDerWaalsContact O-N 3.14Å; D13-C19 WeakPolarHBondContact O-CA 3.47Å; D13-K20 HydrophobicContact CB-CB 4.21Å; D13-K20 HydrophobicContact CB-CD 4.5Å; D13-K20 PolarHBondContact N-O 3.34Å; D13-K20 PolarHBondContact O-N 3.07Å; D13-K20 WeakPolarHBondContact OD2-CD 3.39Å; D13-K20 WeakPolarHBondContact OD2-CE 3.35Å; D13-K20 IonicContact OD2-NZ 2.99Å; D13-K20 PolarHBondContact OD2-NZ 3.44Å; D13-T108 VanDerWaalsContact CA-OG1 3.31Å; D13-T108 WeakPolarHBondContact CA-OG1 3.24Å; D13-T108 HydrophobicContact CB-CG2 4.06Å; D13-T108 PolarHBondContact OD1-OG1 2.94Å; D13-V341 HydrophobicContact CB-CG1 4.33Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.23Å; D13-W342 HydrophobicContact CB-CB 4.21Å
14N95.4Very high90.2Very high8 Ų837.7 Ų37.74%0.04320%0.204CC..EExtended strand (participates in β ladder)trans-86.277.1-174.9-58.5-51.5000111.2I73 M84 W88 L107 T108 Q139N14-I73 HydrophobicContact CB-CD1 4.23Å; N14-M84 HydrophobicContact CB-CE 4.34Å; N14-M84 WeakPolarHBondContact OD1-CE 3.41Å; N14-W88 PolarHBondContact OD1-NE1 3Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.17Å; N14-T108 PolarHBondContact N-OG1 2.9Å; N14-T108 PolarHBondContact ND2-O 3.09Å; N14-Q139 PolarHBondContact O-NE2 3.16Å
15G94.4Very high92.5Very high10 Ų1032.5 Ų32.510%0.10319%0.189CC..  trans-81.8147.7177.200000113.6D13 G17 L18 S35D13-G15 PolarHBondContact O-N 3.27Å; D13-G15 VanDerWaalsContact O-N 3.14Å; G15-G17 VanDerWaalsContact C-N 3.3Å; G15-G17 PolarHBondContact O-N 3.25Å; G15-L18 WeakPolarHBondContact CA-O 3.15Å; G15-L18 PolarHBondContact N-O 2.87Å; G15-S35 WeakPolarHBondContact O-CB 3.42Å; G15-S35 PolarHBondContact O-OG 3.26Å
16S93.9Very high94.8Very high8 Ų825.9 Ų25.96%0.05616%0.159CC..SBendtrans-65.3-27.7177.8440000114.7G160 R185S16-G160 PolarHBondContact OG-N 3.14Å; S16-R185 PolarHBondContact O-NH2 2.91Å
17G94.1Very high96.1Very high13 Ų1326.8 Ų26.813%0.13417%0.168CC..SBendtrans-105.2-43174.500000113.1G15 P34 S35 D159G15-G17 VanDerWaalsContact C-N 3.3Å; G15-G17 PolarHBondContact O-N 3.25Å; G17-P34 WeakPolarHBondContact O-CA 3.41Å; G17-S35 PolarHBondContact O-N 3.12Å; G17-D159 WeakPolarHBondContact CA-OD2 3.31Å
18L96.6Very high96.7Very high78 Ų7826.9 Ų26.941%0.40817%0.172SC..EExtended strand (participates in β ladder)trans-131.3131.3-177-63.3173000110.7G15 K20 V32 F33 P34 S35G15-L18 WeakPolarHBondContact CA-O 3.15Å; G15-L18 PolarHBondContact N-O 2.87Å; L18-K20 HydrophobicContact CB-CD 4.28Å; L18-K20 WeakPolarHBondContact O-CD 3.42Å; L18-K20 PolarHBondContact O-NZ 2.96Å; L18-V32 HydrophobicContact CB-CG1 4.34Å; L18-V32 HydrophobicContact CD1-CG1 4.09Å; L18-F33 WeakPolarHBondContact CA-O 3.46Å; L18-P34 HydrophobicContact CD2-CG 4.42Å; L18-S35 VanDerWaalsContact C-OG 3.3Å
19C97.4Very high96.9Very high1 Ų124.1 Ų24.11%0.00716%0.155CC..EExtended strand (participates in β ladder)trans-84.5139164.1-173.50000108.8D13 V32 F33 S35 I87D13-C19 WeakPolarHBondContact O-CA 3.47Å; C19-V32 WeakPolarHBondContact O-CA 3.39Å; C19-F33 HydrophobicContact CB-CD2 4.37Å; C19-F33 HydrophobicContact CB-CE1 3.99Å; C19-F33 HydrophobicContact CB-CE2 3.84Å; C19-F33 HydrophobicContact CB-CZ 3.64Å; C19-F33 PolarHBondContact N-O 3.36Å; C19-F33 PolarHBondContact O-N 2.84Å; C19-F33 VanDerWaalsContact O-N 3.11Å; C19-S35 PolarHBondContact N-OG 3.22Å; C19-S35 VanDerWaalsContact N-OG 3.08Å; C19-I87 HydrophobicContact CB-CG2 4.39Å
20K98.6Very high96.9Very high25 Ų2531.2 Ų31.211%0.10918%0.18CC..EExtended strand (participates in β ladder)trans-124127.7173.2-56.269.1146.4-1520108.3D13 L18 P29 A31 V32 Y339 W342D13-K20 HydrophobicContact CB-CB 4.21Å; D13-K20 HydrophobicContact CB-CD 4.5Å; D13-K20 PolarHBondContact N-O 3.34Å; D13-K20 PolarHBondContact O-N 3.07Å; D13-K20 WeakPolarHBondContact OD2-CD 3.39Å; D13-K20 WeakPolarHBondContact OD2-CE 3.35Å; D13-K20 IonicContact OD2-NZ 2.99Å; D13-K20 PolarHBondContact OD2-NZ 3.44Å; L18-K20 HydrophobicContact CB-CD 4.28Å; L18-K20 WeakPolarHBondContact O-CD 3.42Å; L18-K20 PolarHBondContact O-NZ 2.96Å; K20-P29 HydrophobicContact CB-CB 3.83Å; K20-P29 HydrophobicContact CB-CG 4.11Å; K20-P29 HydrophobicContact CG-CG 4.3Å; K20-A31 CarbonylContact C-O 3.47Å; K20-A31 WeakPolarHBondContact CA-O 3.31Å; K20-V32 HydrophobicContact CB-CG2 4.43Å; K20-V32 HydrophobicContact CG-CG1 4.18Å; K20-V32 HydrophobicContact CG-CG2 4.01Å; K20-Y339 HydrophobicContact CG-CD1 4.33Å; K20-W342 HydrophobicContact CB-CB 4.36Å; K20-W342 HydrophobicContact CB-CG 4.19Å
21A98.5Very high96.9Very high0 Ų031.4 Ų31.40%018%0.182CC..EExtended strand (participates in β ladder)trans-135.1149.5-17700000111.1V11 P29 R30 A31 L96V11-A21 VanDerWaalsContact O-CA 3.3Å; V11-A21 WeakPolarHBondContact O-CA 3.24Å; A21-P29 CarbonylContact O-C 3.35Å; A21-R30 PolarHBondContact O-N 3.16Å; A21-A31 HydrophobicContact CB-CB 4.42Å; A21-A31 PolarHBondContact N-O 3.48Å; A21-A31 PolarHBondContact O-N 3.36Å; A21-L96 HydrophobicContact CB-CD1 4.06Å; A21-L96 HydrophobicContact CB-CD2 4.43Å; A21-L96 HydrophobicContact CB-CG 4.33Å
22G98.5Very high96.9Very high0 Ų033.6 Ų33.60%020%0.195CC..EExtended strand (participates in β ladder)trans176.3-166.8177.800000111.7L10 V11L10-G22 WeakPolarHBondContact CA-O 3.23Å; V11-G22 PolarHBondContact N-O 3.13Å; V11-G22 PolarHBondContact O-N 2.94Å; V11-G22 VanDerWaalsContact O-N 3.13Å
23F98.2Very high96.9Very high22 Ų2233.6 Ų33.610%0.09620%0.195CC..EExtended strand (participates in β ladder)trans-102.3146-178-63-98.5000110.3T8 L10 D26 R30 L96 V98T8-F23 HydrophobicContact CG2-CB 4.01Å; T8-F23 HydrophobicContact CG2-CD1 4.19Å; L10-F23 HydrophobicContact CD2-CD1 3.63Å; L10-F23 HydrophobicContact CD2-CE1 3.52Å; L10-F23 HydrophobicContact CD2-CG 4.31Å; L10-F23 HydrophobicContact CD2-CZ 4.11Å; F23-D26 WeakPolarHBondContact O-CB 3.43Å; F23-D26 PolarHBondContact O-N 3.01Å; F23-R30 HydrophobicContact CD2-CG 4.37Å; F23-R30 VanDerWaalsContact CD2-NE 3.32Å; F23-L96 HydrophobicContact CE2-CD2 4.19Å; F23-V98 HydrophobicContact CE1-CG1 3.96Å; F23-V98 HydrophobicContact CZ-CG1 3.56Å
24A97.5Very high96.8Very high12 Ų1234.4 Ų34.410%0.09920%0.2CC..THydrogen-bonded Turntrans-60.4139170.600000110.2A9 V11 A349A9-A24 HydrophobicContact CB-CB 4.03Å; A9-A24 WeakPolarHBondContact O-CB 3.44Å; A9-A24 PolarHBondContact O-N 2.83Å; V11-A24 HydrophobicContact CG2-CB 4.26Å; A24-A349 HydrophobicContact CB-CB 3.66Å
25G95.4Very high96.9Very high50 Ų5034.1 Ų34.152%0.51520%0.199SC..THydrogen-bonded Turntrans90.9-14.5-174.900000114.8S346G25-S346 PolarHBondContact N-O 2.92Å; G25-S346 PolarHBondContact N-OG 3.45Å
26D96.6Very high97Very high49 Ų4933.6 Ų33.626%0.26219%0.194SC..  trans-75.8145.7170.8-70.8-19.3000110.3F23 A28 R30 W342 S346F23-D26 WeakPolarHBondContact O-CB 3.43Å; F23-D26 PolarHBondContact O-N 3.01Å; D26-A28 VanDerWaalsContact C-N 3.32Å; D26-A28 PolarHBondContact O-N 3.05Å; D26-R30 IonicContact OD1-NH2 3.85Å; D26-R30 PolarHBondContact OD1-NH2 3.36Å; D26-R30 WeakPolarHBondContact OD2-CG 3.5Å; D26-R30 IonicContact OD2-CZ 3.35Å; D26-R30 IonicContact OD2-NE 3.22Å; D26-R30 PolarHBondContact OD2-NE 3.47Å; D26-R30 IonicContact OD2-NH2 3.66Å; D26-R30 PolarHBondContact OD2-NH2 3.39Å; D26-W342 HydrophobicContact CB-CH2 3.92Å; D26-W342 WeakPolarHBondContact O-CZ3 3.37Å; D26-S346 PolarHBondContact N-OG 2.98Å; D26-S346 PolarHBondContact O-OG 3.2Å
27D94.8Very high97.1Very high152 Ų15233.2 Ų33.281%0.81319%0.191SC*.SBendtrans-77.6-13.9-179.1-68.1-39.2000114
28A96.1Very high97.2Very high51 Ų5132.6 Ų32.642%0.42119%0.185SC..SBendtrans-152153.6-179.300000110.8D26 R30 W342D26-A28 VanDerWaalsContact C-N 3.32Å; D26-A28 PolarHBondContact O-N 3.05Å; A28-R30 PolarHBondContact O-N 3.39Å; A28-W342 WeakPolarHBondContact O-CH2 3.4Å; A28-W342 WeakPolarHBondContact O-CZ3 3.46Å
29P97.8Very high97.1Very high16 Ų1632.5 Ų32.510%0.10418%0.179CC..  trans-62.1135.9177.325.7-34000110.7K20 A21 A31 V32 Y339 W342K20-P29 HydrophobicContact CB-CB 3.83Å; K20-P29 HydrophobicContact CB-CG 4.11Å; K20-P29 HydrophobicContact CG-CG 4.3Å; A21-P29 CarbonylContact O-C 3.35Å; P29-A31 VanDerWaalsContact C-N 3.32Å; P29-V32 HydrophobicContact CB-CG2 4.05Å; P29-V32 HydrophobicContact CG-CG2 3.59Å; P29-Y339 HydrophobicContact CG-CD1 4.18Å; P29-Y339 HydrophobicContact CG-CD2 4.29Å; P29-Y339 HydrophobicContact CG-CE1 4.43Å; P29-Y339 HydrophobicContact CG-CE2 4.48Å; P29-Y339 HydrophobicContact CG-CG 4.13Å; P29-W342 HydrophobicContact CB-CD2 3.69Å; P29-W342 HydrophobicContact CB-CE3 4.16Å; P29-W342 HydrophobicContact CB-CG 3.97Å; P29-W342 HydrophobicContact CB-CZ2 4.37Å; P29-W342 HydrophobicContact CG-CD2 4.26Å; P29-W342 HydrophobicContact CG-CE3 4.39Å; P29-W342 HydrophobicContact CG-CG 4.44Å
30R97.8Very high96.8Very high157 Ų15734.7 Ų34.759%0.59219%0.193SC*.SBendtrans-69.7-32.6175.6-68-160.2-176.51753.8112.5A21 F23 D26 A28 L96A21-R30 PolarHBondContact O-N 3.16Å; F23-R30 HydrophobicContact CD2-CG 4.37Å; F23-R30 VanDerWaalsContact CD2-NE 3.32Å; D26-R30 IonicContact OD1-NH2 3.85Å; D26-R30 PolarHBondContact OD1-NH2 3.36Å; D26-R30 WeakPolarHBondContact OD2-CG 3.5Å; D26-R30 IonicContact OD2-CZ 3.35Å; D26-R30 IonicContact OD2-NE 3.22Å; D26-R30 PolarHBondContact OD2-NE 3.47Å; D26-R30 IonicContact OD2-NH2 3.66Å; D26-R30 PolarHBondContact OD2-NH2 3.39Å; A28-R30 PolarHBondContact O-N 3.39Å; R30-L96 HydrophobicContact CB-CD2 4Å
31A98.1Very high96.3Very high4 Ų440 Ų403%0.03321%0.212CC..EExtended strand (participates in β ladder)trans-127.9133.8-179.100000110.4K20 A21 P29 F33 E95K20-A31 CarbonylContact C-O 3.47Å; K20-A31 WeakPolarHBondContact CA-O 3.31Å; A21-A31 HydrophobicContact CB-CB 4.42Å; A21-A31 PolarHBondContact N-O 3.48Å; A21-A31 PolarHBondContact O-N 3.36Å; P29-A31 VanDerWaalsContact C-N 3.32Å; A31-F33 HydrophobicContact CB-CD1 4.45Å; A31-E95 HydrophobicContact CB-CB 3.68Å; A31-E95 HydrophobicContact CB-CG 4.12Å
32V98.1Very high95.5Very high46 Ų4646.6 Ų46.628%0.27924%0.243SC..EExtended strand (participates in β ladder)trans-138113.8172.9-177.50000107.5L18 C19 K20 P29 Y339L18-V32 HydrophobicContact CB-CG1 4.34Å; L18-V32 HydrophobicContact CD1-CG1 4.09Å; C19-V32 WeakPolarHBondContact O-CA 3.39Å; K20-V32 HydrophobicContact CB-CG2 4.43Å; K20-V32 HydrophobicContact CG-CG1 4.18Å; K20-V32 HydrophobicContact CG-CG2 4.01Å; P29-V32 HydrophobicContact CB-CG2 4.05Å; P29-V32 HydrophobicContact CG-CG2 3.59Å; V32-Y339 HydrophobicContact CG2-CE1 4.16Å
33F97.9Very high94.2Very high1 Ų155.6 Ų55.60%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-143.7156.4-175.263.6-91.3000112L18 C19 A31 S35 V56 I87 H90 S91 E95L18-F33 WeakPolarHBondContact CA-O 3.46Å; C19-F33 HydrophobicContact CB-CD2 4.37Å; C19-F33 HydrophobicContact CB-CE1 3.99Å; C19-F33 HydrophobicContact CB-CE2 3.84Å; C19-F33 HydrophobicContact CB-CZ 3.64Å; C19-F33 PolarHBondContact N-O 3.36Å; C19-F33 PolarHBondContact O-N 2.84Å; C19-F33 VanDerWaalsContact O-N 3.11Å; A31-F33 HydrophobicContact CB-CD1 4.45Å; F33-S35 PolarHBondContact O-N 2.91Å; F33-V56 HydrophobicContact CE2-CG1 4.23Å; F33-I87 HydrophobicContact CE2-CG2 4.04Å; F33-I87 HydrophobicContact CZ-CG2 4.1Å; F33-H90 AromaticContact CE2-CD2 3.78Å; F33-H90 AromaticContact CZ-CD2 3.91Å; F33-S91 VanDerWaalsContact CZ-OG 3.26Å; F33-S91 WeakPolarHBondContact CZ-OG 3.34Å; F33-E95 HydrophobicContact CD1-CG 3.9Å; F33-E95 HydrophobicContact CE1-CG 3.91Å
34P96.8Very high92.7Very high20 Ų2057 Ų5713%0.1331%0.305CS..EExtended strand (participates in β ladder)trans-59.2132177.9-25.435.4000113.5G17 L18 I36 G57 D58G17-P34 WeakPolarHBondContact O-CA 3.41Å; L18-P34 HydrophobicContact CD2-CG 4.42Å; P34-I36 HydrophobicContact CB-CD1 3.99Å; P34-I36 HydrophobicContact CB-CG1 3.97Å; P34-I36 HydrophobicContact CB-CG2 4.34Å; P34-I36 PolarHBondContact O-N 2.89Å; P34-G57 WeakPolarHBondContact O-CA 3.49Å; P34-D58 WeakPolarHBondContact CD-OD1 3.49Å
35S96.9Very high90.9Very high1 Ų160.2 Ų60.21%0.00732%0.323CS..  trans-76.364.6176.3-60.50000111.2G15 G17 L18 C19 F33 P72G15-S35 WeakPolarHBondContact O-CB 3.42Å; G15-S35 PolarHBondContact O-OG 3.26Å; G17-S35 PolarHBondContact O-N 3.12Å; L18-S35 VanDerWaalsContact C-OG 3.3Å; C19-S35 PolarHBondContact N-OG 3.22Å; C19-S35 VanDerWaalsContact N-OG 3.08Å; F33-S35 PolarHBondContact O-N 2.91Å; S35-P72 WeakPolarHBondContact O-CD 3.36Å
36I96.4Very high89.3Confident0 Ų060 Ų600%031%0.31CS..  trans-132.7146.7-175.966.8-178.6000112.1P34 V56 G57 A60 Q61 L69 K70 Y71P34-I36 HydrophobicContact CB-CD1 3.99Å; P34-I36 HydrophobicContact CB-CG1 3.97Å; P34-I36 HydrophobicContact CB-CG2 4.34Å; P34-I36 PolarHBondContact O-N 2.89Å; I36-V56 WeakPolarHBondContact O-CA 3.45Å; I36-G57 PolarHBondContact O-N 3.46Å; I36-A60 HydrophobicContact CD1-CB 3.94Å; I36-A60 HydrophobicContact CG1-CB 3.92Å; I36-Q61 HydrophobicContact CD1-CB 3.86Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.29Å; I36-L69 HydrophobicContact CD1-CD1 4.25Å; I36-L69 HydrophobicContact CD1-CD2 4.39Å; I36-K70 WeakPolarHBondContact CA-O 3.28Å; I36-Y71 HydrophobicContact CG2-CD1 3.53Å; I36-Y71 HydrophobicContact CG2-CE1 3.19Å; I36-Y71 HydrophobicContact CG2-CE2 4.29Å; I36-Y71 HydrophobicContact CG2-CG 4.21Å
37V97.6Very high87.5Confident0 Ų064.7 Ų64.70%034%0.34CS..EExtended strand (participates in β ladder)trans-121121.5169.7-177.20000109Y55 V56 K70 D83 K86 I87V37-Y55 CarbonylContact C-O 3.59Å; V37-Y55 WeakPolarHBondContact CA-O 3.09Å; V37-V56 HydrophobicContact CG2-CG2 4.41Å; V37-K70 PolarHBondContact N-O 3.35Å; V37-K70 PolarHBondContact O-N 3.06Å; V37-D83 HydrophobicContact CB-CB 4.22Å; V37-D83 HydrophobicContact CG2-CB 3.78Å; V37-D83 WeakPolarHBondContact CG2-O 3.45Å; V37-K86 HydrophobicContact CG1-CD 4.07Å; V37-K86 HydrophobicContact CG2-CB 4.42Å; V37-I87 HydrophobicContact CG2-CG1 4.12Å
38G95.8Very high85.9Confident0 Ų061.4 Ų61.40%034%0.342CS..EExtended strand (participates in β ladder)trans-104.1133.8178.400000112.2S54 Y55 T68G38-S54 CarbonylContact O-C 3.57Å; G38-S54 WeakPolarHBondContact O-CA 3.41Å; G38-Y55 PolarHBondContact N-O 3.38Å; G38-Y55 PolarHBondContact O-N 3.28Å; G38-T68 WeakPolarHBondContact CA-O 3.34Å
39R94Very high84.2Confident76 Ų7664.1 Ų64.129%0.28735%0.347SS..EExtended strand (participates in β ladder)trans-120137.2174.4-68.6177.2175.685.1-9.3111.2R41 L67 T68 D83R39-R41 PolarHBondContact O-N 3.06Å; R39-L67 CarbonylContact O-C 3.57Å; R39-L67 WeakPolarHBondContact O-CA 3.28Å; R39-T68 PolarHBondContact N-O 3.14Å; R39-T68 PolarHBondContact O-N 3.26Å; R39-D83 IonicContact CZ-OD1 3.44Å; R39-D83 IonicContact CZ-OD2 3.34Å; R39-D83 VanDerWaalsContact NH1-CG 3.34Å; R39-D83 IonicContact NH1-OD1 2.78Å; R39-D83 PolarHBondContact NH1-OD1 3.38Å; R39-D83 IonicContact NH1-OD2 2.73Å; R39-D83 PolarHBondContact NH1-OD2 2.97Å; R39-D83 IonicContact NH2-OD1 3.89Å; R39-D83 PolarHBondContact NH2-OD1 2.96Å; R39-D83 IonicContact NH2-OD2 2.66Å
40P91.3Very high82.6Confident47 Ų4766.4 Ų66.431%0.30537%0.373SS..EExtended strand (participates in β ladder)trans-57.1133.1179.6-25.934.9000113.2Y55 L67P40-Y55 HydrophobicContact CG-CE2 4.05Å; P40-L67 HydrophobicContact CB-CD2 4.32Å; P40-L67 HydrophobicContact CG-CD2 4.01Å
41R87.5Confident81.1Confident136 Ų13667 Ų6751%0.51338%0.383SS..SBendtrans-71.4-31.8175.4-68.1-178-168-1757.3112.9R39 I66 L67 T68R39-R41 PolarHBondContact O-N 3.06Å; R41-I66 PolarHBondContact N-O 3.24Å; R41-L67 PolarHBondContact NE-O 3.26Å; R41-L67 VanDerWaalsContact NE-O 3.08Å; R41-L67 PolarHBondContact NH2-O 3.07Å; R41-L67 VanDerWaalsContact NH2-O 3.12Å; R41-T68 WeakPolarHBondContact CG-OG1 3.44Å
42H81.8Confident80.3Confident139 Ų13971.6 Ų71.664%0.64440%0.402SS*.SBendtrans-134.1136.8-178-56-62.7000109.5V45H42-V45 HydrophobicContact CB-CG2 3.69Å
43Q71.6Confident79.8Confident189 Ų18975.3 Ų75.388%0.88342%0.42SS*.THydrogen-bonded Turntrans-70.6138.1176-70.2-175.4-11.300110.4
44G66.5Low79.6Confident50 Ų5076.1 Ų76.152%0.51543%0.426SS..THydrogen-bonded Turntrans85.58.2170.700000117.3M46G44-M46 VanDerWaalsContact C-N 3.31Å; G44-M46 PolarHBondContact O-N 3.37Å
45V59.2Low79.5Confident80 Ų8075.5 Ų75.549%0.48542%0.421SS..  trans-71.1-22.5-177.8-179.30000113.4H42 I66H42-V45 HydrophobicContact CB-CG2 3.69Å; V45-I66 HydrophobicContact CG1-CG2 4.36Å
46M62.7Low79.5Confident47 Ų4776 Ų7623%0.23243%0.425CS..  trans-99.794.8-178.1-76-176.7-91.700111.4G44 G48 M49 Y55 K63 I66G44-M46 VanDerWaalsContact C-N 3.31Å; G44-M46 PolarHBondContact O-N 3.37Å; M46-G48 PolarHBondContact O-N 3.28Å; M46-M49 HydrophobicContact CB-CB 4.33Å; M46-M49 HydrophobicContact SD-SD 4.39Å; M46-Y55 HydrophobicContact CE-CE2 3.62Å; M46-Y55 VanDerWaalsContact CE-CZ 3.49Å; M46-Y55 WeakPolarHBondContact CE-OH 3.45Å; M46-Y55 PolarHBondContact SD-OH 3.04Å; M46-K63 HydrophobicContact SD-CD 4.24Å; M46-I66 HydrophobicContact CE-CD1 3.91Å; M46-I66 HydrophobicContact CG-CD1 4.11Å; M46-I66 HydrophobicContact SD-CD1 4.05Å
47V58.4Low79.5Confident147 Ų14776 Ų7689%0.89143%0.425SS*.SBendtrans-72.5122.4171.5-178.50000108.9M49V47-M49 PolarHBondContact O-N 3.16Å
48G62.4Low79.4Confident83 Ų8380.5 Ų80.586%0.85645%0.448SS*.SBendtrans89.8-11.5172.700000116.6M46M46-G48 PolarHBondContact O-N 3.28Å
49M59.8Low79.3Confident108 Ų10883.3 Ų83.353%0.53246%0.461SS..SBendtrans-100.6124.1163.1-76.5-178.415000107.2M46 V47 K63M46-M49 HydrophobicContact CB-CB 4.33Å; M46-M49 HydrophobicContact SD-SD 4.39Å; V47-M49 PolarHBondContact O-N 3.16Å; M49-K63 PolarHBondContact SD-NZ 3.15Å; M49-K63 VanDerWaalsContact SD-NZ 3.42Å
50G63.5Low79.3Confident63 Ų6379.7 Ų79.765%0.64945%0.448SS*.  trans-47.8147.417800000111.9K52G50-K52 VanDerWaalsContact C-N 3.33Å; G50-K52 PolarHBondContact O-N 3.47Å
51Q67.6Low79.3Confident169 Ų16978.8 Ų78.879%0.7944%0.44SS*.  trans-64.892.2178.6-72.3-167.2-1.700110
52K80.6Confident79.5Confident102 Ų10276.9 Ų76.944%0.44345%0.447SS..  trans-78.3137.6164.8-67-171.2-176.41770108.8G50 Y55 E59G50-K52 VanDerWaalsContact C-N 3.33Å; G50-K52 PolarHBondContact O-N 3.47Å; K52-Y55 HydrophobicContact CB-CE1 4.19Å; K52-Y55 HydrophobicContact CB-CE2 4.22Å; K52-Y55 HydrophobicContact CD-CD1 4.31Å; K52-Y55 HydrophobicContact CD-CE1 3.82Å; K52-Y55 HydrophobicContact CG-CE1 4.47Å; K52-E59 IonicContact NZ-OE1 2.59Å; K52-E59 IonicContact NZ-OE2 3.02Å; K52-E59 PolarHBondContact NZ-OE2 3.28Å
53D86.7Confident79.9Confident123 Ų12371.9 Ų71.966%0.65842%0.423SS*.SBendtrans-73.6-30.7175.765.6-40.1000112.2
54S93.6Very high80.7Confident19 Ų1964.2 Ų64.213%0.13339%0.386CS..  trans-148.3158.3-178.860.70000113.2G38G38-S54 CarbonylContact O-C 3.57Å; G38-S54 WeakPolarHBondContact O-CA 3.41Å
55Y95.4Very high81.6Confident6 Ų664.8 Ų64.82%0.02439%0.393CS..EExtended strand (participates in β ladder)trans-129.3146.1176.8-63.7-86.1000108.6V37 G38 P40 M46 K52 E59 K63 L67V37-Y55 CarbonylContact C-O 3.59Å; V37-Y55 WeakPolarHBondContact CA-O 3.09Å; G38-Y55 PolarHBondContact N-O 3.38Å; G38-Y55 PolarHBondContact O-N 3.28Å; P40-Y55 HydrophobicContact CG-CE2 4.05Å; M46-Y55 HydrophobicContact CE-CE2 3.62Å; M46-Y55 VanDerWaalsContact CE-CZ 3.49Å; M46-Y55 WeakPolarHBondContact CE-OH 3.45Å; M46-Y55 PolarHBondContact SD-OH 3.04Å; K52-Y55 HydrophobicContact CB-CE1 4.19Å; K52-Y55 HydrophobicContact CB-CE2 4.22Å; K52-Y55 HydrophobicContact CD-CD1 4.31Å; K52-Y55 HydrophobicContact CD-CE1 3.82Å; K52-Y55 HydrophobicContact CG-CE1 4.47Å; Y55-E59 HydrophobicContact CD1-CG 3.7Å; Y55-E59 VanDerWaalsContact CD1-OE1 3.31Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.06Å; Y55-E59 HydrophobicContact CE1-CG 4.33Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.16Å; Y55-K63 HydrophobicContact CD1-CD 4.23Å; Y55-K63 HydrophobicContact CE1-CD 4.12Å; Y55-L67 HydrophobicContact CD2-CD1 3.78Å; Y55-L67 HydrophobicContact CD2-CD2 3.68Å; Y55-L67 HydrophobicContact CD2-CG 4.42Å; Y55-L67 HydrophobicContact CE2-CD2 4Å; Y55-L67 HydrophobicContact CG-CD1 3.95Å
56V97.4Very high83Confident13 Ų1364.1 Ų64.18%0.07939%0.385CS..EExtended strand (participates in β ladder)trans-127.9151.7-178.2-176.40000109.5F33 I36 V37 E59 A60 K86 I87 H90F33-V56 HydrophobicContact CE2-CG1 4.23Å; I36-V56 WeakPolarHBondContact O-CA 3.45Å; V37-V56 HydrophobicContact CG2-CG2 4.41Å; V56-E59 PolarHBondContact O-N 3.3Å; V56-A60 PolarHBondContact O-N 2.61Å; V56-K86 HydrophobicContact CG2-CB 4.16Å; V56-I87 HydrophobicContact CG1-CG1 4Å; V56-H90 HydrophobicContact CB-CB 3.99Å; V56-H90 HydrophobicContact CG1-CB 3.73Å; V56-H90 HydrophobicContact CG2-CB 4.32Å
57G96.7Very high84.4Confident0 Ų061.9 Ų61.90%037%0.374CS..Hα-helixtrans63.3-137.9170.100000114P34 I36 E59 A60 Q61P34-G57 WeakPolarHBondContact O-CA 3.49Å; I36-G57 PolarHBondContact O-N 3.46Å; G57-E59 VanDerWaalsContact C-N 3.26Å; G57-E59 PolarHBondContact O-N 2.93Å; G57-A60 WeakPolarHBondContact O-CB 3.49Å; G57-A60 PolarHBondContact O-N 2.84Å; G57-A60 VanDerWaalsContact O-N 3.11Å; G57-Q61 PolarHBondContact O-N 2.89Å
58D95.1Very high86Confident93 Ų9358 Ų5850%0.49735%0.352SS..Hα-helixtrans-64.7-29-176.6-65-47.2000113P34 A60 Q61 S62P34-D58 WeakPolarHBondContact CD-OD1 3.49Å; D58-A60 VanDerWaalsContact C-N 3.34Å; D58-Q61 PolarHBondContact O-N 3.09Å; D58-S62 WeakPolarHBondContact O-CB 3.45Å; D58-S62 PolarHBondContact O-N 3.15Å; D58-S62 PolarHBondContact O-OG 3.16Å
59E93.7Very high87.4Confident59 Ų5955.8 Ų55.828%0.27632%0.32SS..Hα-helixtrans-65.6-40.3174.3-163.8-178.3179.200110.7K52 Y55 V56 G57 S62 K63K52-E59 IonicContact NZ-OE1 2.59Å; K52-E59 IonicContact NZ-OE2 3.02Å; K52-E59 PolarHBondContact NZ-OE2 3.28Å; Y55-E59 HydrophobicContact CD1-CG 3.7Å; Y55-E59 VanDerWaalsContact CD1-OE1 3.31Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.06Å; Y55-E59 HydrophobicContact CE1-CG 4.33Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.16Å; V56-E59 PolarHBondContact O-N 3.3Å; G57-E59 VanDerWaalsContact C-N 3.26Å; G57-E59 PolarHBondContact O-N 2.93Å; E59-S62 PolarHBondContact O-OG 2.66Å; E59-S62 VanDerWaalsContact O-OG 3.05Å; E59-K63 HydrophobicContact CG-CD 4.28Å; E59-K63 WeakPolarHBondContact O-CB 3.39Å; E59-K63 WeakPolarHBondContact O-CG 3.5Å; E59-K63 PolarHBondContact O-N 2.9Å; E59-K63 IonicContact OE1-NZ 3.72Å; E59-K63 PolarHBondContact OE1-NZ 3.44Å
60A94.2Very high89.1Confident0 Ų055.6 Ų55.60%032%0.316CS..Hα-helixtrans-67.6-40.9173.700000111.6I36 V56 G57 D58 K63 R64 L67 L69I36-A60 HydrophobicContact CD1-CB 3.94Å; I36-A60 HydrophobicContact CG1-CB 3.92Å; V56-A60 PolarHBondContact O-N 2.61Å; G57-A60 WeakPolarHBondContact O-CB 3.49Å; G57-A60 PolarHBondContact O-N 2.84Å; G57-A60 VanDerWaalsContact O-N 3.11Å; D58-A60 VanDerWaalsContact C-N 3.34Å; A60-K63 CarbonylContact O-C 3.58Å; A60-K63 PolarHBondContact O-N 3.22Å; A60-R64 PolarHBondContact O-N 3.24Å; A60-L67 HydrophobicContact CB-CD1 4.32Å; A60-L69 HydrophobicContact CB-CD2 4.05Å
61Q91.6Very high90.6Very high29 Ų2955.7 Ų55.714%0.13630%0.297CS..Hα-helixtrans-64.9-46.7-178.5-169.668.5-16.200112.1I36 G57 D58 K63 R64 E209I36-Q61 HydrophobicContact CD1-CB 3.86Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.29Å; G57-Q61 PolarHBondContact O-N 2.89Å; D58-Q61 PolarHBondContact O-N 3.09Å; Q61-K63 PolarHBondContact O-N 3.36Å; Q61-R64 WeakPolarHBondContact O-CB 3.39Å; Q61-R64 WeakPolarHBondContact O-CD 3.17Å; Q61-R64 WeakPolarHBondContact O-CG 3.39Å; Q61-R64 PolarHBondContact O-N 2.87Å; Q61-E209 PolarHBondContact NE2-OE2 3.5Å
62S90.9Very high92Very high95 Ų9547.6 Ų47.666%0.66426%0.259SS*.Hα-helixtrans-63.4-29.8178.357.90000112.9D58 E59D58-S62 WeakPolarHBondContact O-CB 3.45Å; D58-S62 PolarHBondContact O-N 3.15Å; D58-S62 PolarHBondContact O-OG 3.16Å; E59-S62 PolarHBondContact O-OG 2.66Å; E59-S62 VanDerWaalsContact O-OG 3.05Å
63K90.3Very high92.7Very high34 Ų3442.9 Ų42.915%0.14824%0.239CC..THydrogen-bonded Turntrans-97.813.1-179.1-66.2175.9-179.9176.70113.9M46 M49 Y55 E59 A60 Q61 G65 I66 L67M46-K63 HydrophobicContact SD-CD 4.24Å; M49-K63 PolarHBondContact SD-NZ 3.15Å; M49-K63 VanDerWaalsContact SD-NZ 3.42Å; Y55-K63 HydrophobicContact CD1-CD 4.23Å; Y55-K63 HydrophobicContact CE1-CD 4.12Å; E59-K63 HydrophobicContact CG-CD 4.28Å; E59-K63 WeakPolarHBondContact O-CB 3.39Å; E59-K63 WeakPolarHBondContact O-CG 3.5Å; E59-K63 PolarHBondContact O-N 2.9Å; E59-K63 IonicContact OE1-NZ 3.72Å; E59-K63 PolarHBondContact OE1-NZ 3.44Å; A60-K63 CarbonylContact O-C 3.58Å; A60-K63 PolarHBondContact O-N 3.22Å; Q61-K63 PolarHBondContact O-N 3.36Å; K63-G65 PolarHBondContact O-N 3.02Å; K63-I66 HydrophobicContact CB-CG1 4.25Å; K63-I66 WeakPolarHBondContact O-CG1 3.17Å; K63-I66 PolarHBondContact O-N 3.49Å; K63-L67 HydrophobicContact CB-CD1 3.62Å; K63-L67 HydrophobicContact CB-CG 3.95Å; K63-L67 WeakPolarHBondContact O-CG 3.32Å; K63-L67 PolarHBondContact O-N 3.12Å
64R87.8Confident93Very high28 Ų2841.8 Ų41.811%0.10623%0.23CC..THydrogen-bonded Turntrans-55.9-24.4-173.474.1-164.3-37.5-166.92.2116.5A60 Q61 I66 L67 L69 T205 A206 E209A60-R64 PolarHBondContact O-N 3.24Å; Q61-R64 WeakPolarHBondContact O-CB 3.39Å; Q61-R64 WeakPolarHBondContact O-CD 3.17Å; Q61-R64 WeakPolarHBondContact O-CG 3.39Å; Q61-R64 PolarHBondContact O-N 2.87Å; R64-I66 PolarHBondContact O-N 3.09Å; R64-L67 VanDerWaalsContact O-O 3.11Å; R64-L69 HydrophobicContact CB-CD1 3.71Å; R64-L69 HydrophobicContact CB-CG 4.3Å; R64-T205 PolarHBondContact NH1-O 3.32Å; R64-T205 PolarHBondContact NH2-O 3.26Å; R64-T205 VanDerWaalsContact NH2-O 3.13Å; R64-A206 VanDerWaalsContact NH1-CA 3.29Å; R64-E209 IonicContact NH2-OE1 3.88Å
65G86.4Confident92.9Very high63 Ų6344.1 Ų44.165%0.64924%0.238SC*.THydrogen-bonded Turntrans-64.3-27176.900000113.4K63K63-G65 PolarHBondContact O-N 3.02Å
66I88.9Confident92.6Very high65 Ų6544.4 Ų44.433%0.33324%0.243SC..THydrogen-bonded Turntrans-113.4-4.2-179.161.3170.2000113.2R41 V45 M46 K63 R64R41-I66 PolarHBondContact N-O 3.24Å; V45-I66 HydrophobicContact CG1-CG2 4.36Å; M46-I66 HydrophobicContact CE-CD1 3.91Å; M46-I66 HydrophobicContact CG-CD1 4.11Å; M46-I66 HydrophobicContact SD-CD1 4.05Å; K63-I66 HydrophobicContact CB-CG1 4.25Å; K63-I66 WeakPolarHBondContact O-CG1 3.17Å; K63-I66 PolarHBondContact O-N 3.49Å; R64-I66 PolarHBondContact O-N 3.09Å
67L91Very high92.4Very high0 Ų045 Ų450%025%0.246CC..EExtended strand (participates in β ladder)trans-108.1151.1-179.5-56.8-177.8000111.6R39 P40 R41 Y55 A60 K63 R64 L69R39-L67 CarbonylContact O-C 3.57Å; R39-L67 WeakPolarHBondContact O-CA 3.28Å; P40-L67 HydrophobicContact CB-CD2 4.32Å; P40-L67 HydrophobicContact CG-CD2 4.01Å; R41-L67 PolarHBondContact NE-O 3.26Å; R41-L67 VanDerWaalsContact NE-O 3.08Å; R41-L67 PolarHBondContact NH2-O 3.07Å; R41-L67 VanDerWaalsContact NH2-O 3.12Å; Y55-L67 HydrophobicContact CD2-CD1 3.78Å; Y55-L67 HydrophobicContact CD2-CD2 3.68Å; Y55-L67 HydrophobicContact CD2-CG 4.42Å; Y55-L67 HydrophobicContact CE2-CD2 4Å; Y55-L67 HydrophobicContact CG-CD1 3.95Å; A60-L67 HydrophobicContact CB-CD1 4.32Å; K63-L67 HydrophobicContact CB-CD1 3.62Å; K63-L67 HydrophobicContact CB-CG 3.95Å; K63-L67 WeakPolarHBondContact O-CG 3.32Å; K63-L67 PolarHBondContact O-N 3.12Å; R64-L67 VanDerWaalsContact O-O 3.11Å; L67-L69 HydrophobicContact CB-CD2 4.05Å
68T91.9Very high92.4Very high67 Ų6745.7 Ų45.741%0.41125%0.249SC..EExtended strand (participates in β ladder)trans-93.1113.1159.8-59.10000107.2G38 R39 R41G38-T68 WeakPolarHBondContact CA-O 3.34Å; R39-T68 PolarHBondContact N-O 3.14Å; R39-T68 PolarHBondContact O-N 3.26Å; R41-T68 WeakPolarHBondContact CG-OG1 3.44Å
69L93Very high92.4Very high35 Ų3544.9 Ų44.918%0.18325%0.248CC..EExtended strand (participates in β ladder)trans-87.9136.7-179.8-57-176.7000110.5I36 A60 R64 L67I36-L69 HydrophobicContact CD1-CD1 4.25Å; I36-L69 HydrophobicContact CD1-CD2 4.39Å; A60-L69 HydrophobicContact CB-CD2 4.05Å; R64-L69 HydrophobicContact CB-CD1 3.71Å; R64-L69 HydrophobicContact CB-CG 4.3Å; L67-L69 HydrophobicContact CB-CD2 4.05Å
70K95.6Very high92.6Very high104 Ų10444.3 Ų44.345%0.45225%0.247SC..EExtended strand (participates in β ladder)trans-126.2147.4172-68.3-169.7176.1-173.50110.4I36 V37I36-K70 WeakPolarHBondContact CA-O 3.28Å; V37-K70 PolarHBondContact N-O 3.35Å; V37-K70 PolarHBondContact O-N 3.06Å
71Y95.1Very high92.7Very high65 Ų6546.7 Ų46.726%0.25526%0.256SS..  trans-110.3110.6177-64.1-99.4000107.7I36 I73I36-Y71 HydrophobicContact CG2-CD1 3.53Å; I36-Y71 HydrophobicContact CG2-CE1 3.19Å; I36-Y71 HydrophobicContact CG2-CE2 4.29Å; I36-Y71 HydrophobicContact CG2-CG 4.21Å; Y71-I73 PolarHBondContact O-N 3.34Å
72P96.7Very high93Very high0 Ų050.3 Ų50.30%028%0.276CS..SBendtrans-76.1-8.1-176.727.7-31.2000114S35 I78 T79 N80 D83 M84 I87S35-P72 WeakPolarHBondContact O-CD 3.36Å; P72-I78 CarbonylContact O-C 3.31Å; P72-I78 WeakPolarHBondContact O-CA 3.44Å; P72-T79 PolarHBondContact O-N 3.1Å; P72-T79 PolarHBondContact O-OG1 2.91Å; P72-N80 HydrophobicContact CB-CB 4.27Å; P72-N80 WeakPolarHBondContact CB-O 3.28Å; P72-N80 PolarHBondContact O-N 2.91Å; P72-D83 HydrophobicContact CB-CB 3.75Å; P72-D83 HydrophobicContact CG-CB 4.22Å; P72-M84 HydrophobicContact CB-CB 4.4Å; P72-M84 HydrophobicContact CG-SD 4.36Å; P72-I87 HydrophobicContact CG-CD1 3.31Å; P72-I87 HydrophobicContact CG-CG1 4.37Å
73I95.8Very high93.4Very high2 Ų245.9 Ų45.91%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-120.5114.1178.5-55.3171.6000108.6N14 Y71 I77 I78 M84N14-I73 HydrophobicContact CB-CD1 4.23Å; Y71-I73 PolarHBondContact O-N 3.34Å; I73-I77 WeakPolarHBondContact CA-O 3.36Å; I73-I78 HydrophobicContact CG1-CG1 4.02Å; I73-M84 HydrophobicContact CD1-CE 4.2Å; I73-M84 HydrophobicContact CD1-SD 3.76Å; I73-M84 HydrophobicContact CG1-SD 3.89Å
74E91.9Very high93.7Very high101 Ų10144.3 Ų44.347%0.47224%0.238SC..EExtended strand (participates in β ladder)trans-114.3127.4176.1-66.6-177.8172.200109.1G76 I77 T79E74-G76 PolarHBondContact O-N 2.83Å; E74-G76 VanDerWaalsContact O-N 3.08Å; E74-I77 PolarHBondContact N-O 2.83Å; E74-I77 PolarHBondContact O-N 3.37Å; E74-T79 HydrophobicContact CB-CG2 3.99Å; E74-T79 HydrophobicContact CG-CG2 4.36Å
75H91.1Very high94.2Very high67 Ų6746.3 Ų46.331%0.3125%0.249SC..THydrogen-bonded Turntrans47.440.3-177.3-52.7-68.5000114.2I77 G160 R179H75-I77 VanDerWaalsContact C-N 3.29Å; H75-I77 PolarHBondContact O-N 3.48Å; H75-G160 WeakPolarHBondContact CA-O 3.47Å; H75-G160 PolarHBondContact ND1-O 3.09Å; H75-R179 PolarHBondContact O-NH2 2.92Å
76G89Confident94.8Very high12 Ų1245.8 Ų45.812%0.12423%0.229CC..THydrogen-bonded Turntrans79.31.2178.800000115.6E74 A110E74-G76 PolarHBondContact O-N 2.83Å; E74-G76 VanDerWaalsContact O-N 3.08Å; G76-A110 WeakPolarHBondContact O-CB 3.4Å
77I93.8Very high95.2Very high27 Ų2742.7 Ų42.714%0.13821%0.213CC..EExtended strand (participates in β ladder)trans-110.8132.5-179.3-54.5-58000109.4I73 E74 H75 T79 N117I73-I77 WeakPolarHBondContact CA-O 3.36Å; E74-I77 PolarHBondContact N-O 2.83Å; E74-I77 PolarHBondContact O-N 3.37Å; H75-I77 VanDerWaalsContact C-N 3.29Å; H75-I77 PolarHBondContact O-N 3.48Å; I77-T79 PolarHBondContact O-N 3.01Å; I77-N117 VanDerWaalsContact CG2-ND2 3.28Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.11Å
78I96.2Very high95.6Very high13 Ų1342.7 Ų42.77%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-69.7121.1174-62.4161.5000108.8P72 I73 W81 M84 W88 M121P72-I78 CarbonylContact O-C 3.31Å; P72-I78 WeakPolarHBondContact O-CA 3.44Å; I73-I78 HydrophobicContact CG1-CG1 4.02Å; I78-W81 HydrophobicContact CB-CH2 4.13Å; I78-W81 HydrophobicContact CB-CZ2 4.09Å; I78-W81 HydrophobicContact CB-CZ3 4.46Å; I78-W81 HydrophobicContact CD1-CE3 4.47Å; I78-W81 HydrophobicContact CD1-CH2 3.68Å; I78-W81 HydrophobicContact CD1-CZ2 4.48Å; I78-W81 HydrophobicContact CD1-CZ3 3.69Å; I78-W81 HydrophobicContact CG2-CD2 3.79Å; I78-W81 HydrophobicContact CG2-CE3 3.88Å; I78-W81 HydrophobicContact CG2-CG 4.36Å; I78-W81 HydrophobicContact CG2-CH2 4.15Å; I78-W81 HydrophobicContact CG2-CZ2 4.05Å; I78-W81 HydrophobicContact CG2-CZ3 4.09Å; I78-M84 HydrophobicContact CD1-CG 3.95Å; I78-M84 HydrophobicContact CD1-SD 4.4Å; I78-M84 HydrophobicContact CG1-CG 4.2Å; I78-M84 HydrophobicContact CG1-SD 4.26Å; I78-M84 HydrophobicContact CG2-CB 3.94Å; I78-M84 HydrophobicContact CG2-CG 4.18Å; I78-W88 HydrophobicContact CD1-CH2 4.06Å; I78-W88 HydrophobicContact CD1-CZ2 4.24Å; I78-M121 HydrophobicContact CD1-CE 3.71Å
79T95.3Very high95.9Very high76 Ų7644 Ų4447%0.46621%0.214SC..  trans-109-20.7179.758.20000112.8P72 E74 I77P72-T79 PolarHBondContact O-N 3.1Å; P72-T79 PolarHBondContact O-OG1 2.91Å; E74-T79 HydrophobicContact CB-CG2 3.99Å; E74-T79 HydrophobicContact CG-CG2 4.36Å; I77-T79 PolarHBondContact O-N 3.01Å
80N97.6Very high96.2Very high48 Ų4843.4 Ų43.426%0.25721%0.21SC..  trans-132.3104.4176.6-169.5-56000111.2P72 D82 D83 M84P72-N80 HydrophobicContact CB-CB 4.27Å; P72-N80 WeakPolarHBondContact CB-O 3.28Å; P72-N80 PolarHBondContact O-N 2.91Å; N80-D82 PolarHBondContact OD1-N 3.01Å; N80-D83 HydrophobicContact CB-CB 4.19Å; N80-D83 PolarHBondContact O-N 2.59Å; N80-D83 WeakPolarHBondContact OD1-CB 3.29Å; N80-D83 PolarHBondContact OD1-N 3.02Å; N80-M84 WeakPolarHBondContact O-CB 3.38Å; N80-M84 PolarHBondContact O-N 2.96Å
81W97.8Very high96.3Very high49 Ų4938.4 Ų38.419%0.18619%0.188CC..Hα-helixtrans-70.7-35.6-177.3-68.3101.2000113.3I78 D83 M84 E85 W88 N117 K120 M121 I124I78-W81 HydrophobicContact CB-CH2 4.13Å; I78-W81 HydrophobicContact CB-CZ2 4.09Å; I78-W81 HydrophobicContact CB-CZ3 4.46Å; I78-W81 HydrophobicContact CD1-CE3 4.47Å; I78-W81 HydrophobicContact CD1-CH2 3.68Å; I78-W81 HydrophobicContact CD1-CZ2 4.48Å; I78-W81 HydrophobicContact CD1-CZ3 3.69Å; I78-W81 HydrophobicContact CG2-CD2 3.79Å; I78-W81 HydrophobicContact CG2-CE3 3.88Å; I78-W81 HydrophobicContact CG2-CG 4.36Å; I78-W81 HydrophobicContact CG2-CH2 4.15Å; I78-W81 HydrophobicContact CG2-CZ2 4.05Å; I78-W81 HydrophobicContact CG2-CZ3 4.09Å; W81-D83 VanDerWaalsContact C-N 3.27Å; W81-D83 PolarHBondContact O-N 2.88Å; W81-M84 PolarHBondContact O-N 3.34Å; W81-E85 WeakPolarHBondContact O-CB 3.45Å; W81-E85 PolarHBondContact O-N 3.23Å; W81-W88 HydrophobicContact CE3-CH2 4.45Å; W81-W88 HydrophobicContact CE3-CZ3 4.46Å; W81-W88 AromaticContact CZ3-CH2 3.94Å; W81-W88 HydrophobicContact CZ3-CH2 3.94Å; W81-W88 HydrophobicContact CZ3-CZ3 4.32Å; W81-N117 HydrophobicContact CH2-CB 4.22Å; W81-N117 WeakPolarHBondContact CH2-O 3.48Å; W81-N117 HydrophobicContact CZ2-CB 3.83Å; W81-K120 HydrophobicContact CD2-CB 4.36Å; W81-K120 HydrophobicContact CD2-CG 3.52Å; W81-K120 HydrophobicContact CE3-CB 4.5Å; W81-K120 HydrophobicContact CE3-CG 3.79Å; W81-K120 HydrophobicContact CG-CG 4.04Å; W81-K120 HydrophobicContact CH2-CB 3.88Å; W81-K120 HydrophobicContact CH2-CG 4.06Å; W81-K120 HydrophobicContact CZ2-CB 3.73Å; W81-K120 HydrophobicContact CZ2-CG 3.84Å; W81-K120 HydrophobicContact CZ3-CB 4.23Å; W81-K120 HydrophobicContact CZ3-CG 4.02Å; W81-M121 HydrophobicContact CH2-CB 4.13Å; W81-M121 HydrophobicContact CZ3-CB 4.06Å; W81-I124 HydrophobicContact CB-CD1 4.4Å; W81-I124 HydrophobicContact CD2-CD1 4.22Å; W81-I124 HydrophobicContact CE3-CD1 3.42Å; W81-I124 VanDerWaalsContact CE3-CD1 3.42Å; W81-I124 HydrophobicContact CZ3-CD1 4.05Å
82D97.6Very high96.4Very high106 Ų10635.3 Ų35.357%0.56718%0.176SC*.Hα-helixtrans-64.1-34.2178-57.6-24.4000112.1N80 K86N80-D82 PolarHBondContact OD1-N 3.01Å; D82-K86 WeakPolarHBondContact O-CG 3.25Å; D82-K86 PolarHBondContact O-NZ 3.37Å
83D98Very high96.5Very high1 Ų139.8 Ų39.81%0.00519%0.194CC..Hα-helixtrans-81.2-34.5176.8-77.2-7.6000111.2V37 R39 P72 N80 W81 K86 I87V37-D83 HydrophobicContact CB-CB 4.22Å; V37-D83 HydrophobicContact CG2-CB 3.78Å; V37-D83 WeakPolarHBondContact CG2-O 3.45Å; R39-D83 IonicContact CZ-OD1 3.44Å; R39-D83 IonicContact CZ-OD2 3.34Å; R39-D83 VanDerWaalsContact NH1-CG 3.34Å; R39-D83 IonicContact NH1-OD1 2.78Å; R39-D83 PolarHBondContact NH1-OD1 3.38Å; R39-D83 IonicContact NH1-OD2 2.73Å; R39-D83 PolarHBondContact NH1-OD2 2.97Å; R39-D83 IonicContact NH2-OD1 3.89Å; R39-D83 PolarHBondContact NH2-OD1 2.96Å; R39-D83 IonicContact NH2-OD2 2.66Å; P72-D83 HydrophobicContact CB-CB 3.75Å; P72-D83 HydrophobicContact CG-CB 4.22Å; N80-D83 HydrophobicContact CB-CB 4.19Å; N80-D83 PolarHBondContact O-N 2.59Å; N80-D83 WeakPolarHBondContact OD1-CB 3.29Å; N80-D83 PolarHBondContact OD1-N 3.02Å; W81-D83 VanDerWaalsContact C-N 3.27Å; W81-D83 PolarHBondContact O-N 2.88Å; D83-K86 PolarHBondContact O-N 3.49Å; D83-K86 IonicContact OD1-NZ 3.16Å; D83-I87 PolarHBondContact O-N 3.4Å; D83-I87 VanDerWaalsContact O-N 3.1Å
84M98.1Very high96.6Very high1 Ų143.4 Ų43.41%0.00521%0.213CC..Hα-helixtrans-65.8-39.7173.8-165.565.3-147.200112.2N14 P72 I73 I78 N80 W81 K86 I87 W88N14-M84 HydrophobicContact CB-CE 4.34Å; N14-M84 WeakPolarHBondContact OD1-CE 3.41Å; P72-M84 HydrophobicContact CB-CB 4.4Å; P72-M84 HydrophobicContact CG-SD 4.36Å; I73-M84 HydrophobicContact CD1-CE 4.2Å; I73-M84 HydrophobicContact CD1-SD 3.76Å; I73-M84 HydrophobicContact CG1-SD 3.89Å; I78-M84 HydrophobicContact CD1-CG 3.95Å; I78-M84 HydrophobicContact CD1-SD 4.4Å; I78-M84 HydrophobicContact CG1-CG 4.2Å; I78-M84 HydrophobicContact CG1-SD 4.26Å; I78-M84 HydrophobicContact CG2-CB 3.94Å; I78-M84 HydrophobicContact CG2-CG 4.18Å; N80-M84 WeakPolarHBondContact O-CB 3.38Å; N80-M84 PolarHBondContact O-N 2.96Å; W81-M84 PolarHBondContact O-N 3.34Å; M84-K86 VanDerWaalsContact C-N 3.29Å; M84-K86 PolarHBondContact O-N 2.73Å; M84-I87 HydrophobicContact CE-CB 4.27Å; M84-I87 HydrophobicContact CE-CG2 3.88Å; M84-I87 WeakPolarHBondContact O-CB 3.43Å; M84-I87 PolarHBondContact O-N 3.31Å; M84-I87 VanDerWaalsContact O-N 3.08Å; M84-I87 HydrophobicContact SD-CB 4.49Å; M84-I87 HydrophobicContact SD-CD1 4.39Å; M84-W88 HydrophobicContact CB-CZ3 4.33Å; M84-W88 HydrophobicContact CE-CD2 4Å; M84-W88 HydrophobicContact CE-CG 4.32Å; M84-W88 HydrophobicContact CE-CH2 4.48Å; M84-W88 HydrophobicContact CE-CZ2 3.63Å; M84-W88 HydrophobicContact CG-CD2 4.08Å; M84-W88 HydrophobicContact CG-CE3 3.97Å; M84-W88 HydrophobicContact CG-CH2 3.52Å; M84-W88 HydrophobicContact CG-CZ2 3.63Å; M84-W88 HydrophobicContact CG-CZ3 3.7Å; M84-W88 PolarHBondContact O-N 3.44Å; M84-W88 HydrophobicContact SD-CZ2 4.42Å
85E98.3Very high96.9Very high71 Ų7142.2 Ų42.233%0.33221%0.208SC..Hα-helixtrans-59.6-40.1174.1-169.8-176.8131.500111.5W81 I87 W88 H89 I124 T128 F129W81-E85 WeakPolarHBondContact O-CB 3.45Å; W81-E85 PolarHBondContact O-N 3.23Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 3.01Å; E85-W88 PolarHBondContact O-N 3.46Å; E85-H89 WeakPolarHBondContact O-CB 3.49Å; E85-H89 PolarHBondContact O-N 2.8Å; E85-I124 HydrophobicContact CG-CG2 4.3Å; E85-T128 HydrophobicContact CG-CG2 4.42Å; E85-T128 WeakPolarHBondContact OE1-CG2 3.18Å; E85-F129 HydrophobicContact CG-CE2 4Å; E85-F129 HydrophobicContact CG-CZ 3.87Å
86K98.2Very high97.2Very high52 Ų5239.9 Ų39.923%0.22620%0.197CC..Hα-helixtrans-64.2-36.7173.7-69.7177.1-169.971.70112.6V37 V56 D82 D83 M84 H90V37-K86 HydrophobicContact CG1-CD 4.07Å; V37-K86 HydrophobicContact CG2-CB 4.42Å; V56-K86 HydrophobicContact CG2-CB 4.16Å; D82-K86 WeakPolarHBondContact O-CG 3.25Å; D82-K86 PolarHBondContact O-NZ 3.37Å; D83-K86 PolarHBondContact O-N 3.49Å; D83-K86 IonicContact OD1-NZ 3.16Å; M84-K86 VanDerWaalsContact C-N 3.29Å; M84-K86 PolarHBondContact O-N 2.73Å; K86-H90 VanDerWaalsContact O-CB 3.29Å; K86-H90 WeakPolarHBondContact O-CB 3.42Å; K86-H90 PolarHBondContact O-N 2.82Å
87I98.4Very high97.6Very high0 Ų049.4 Ų49.40%023%0.229CC..Hα-helixtrans-63-48.3174-72.2-179000110.4C19 F33 V37 V56 P72 D83 M84 E85 H90 S91C19-I87 HydrophobicContact CB-CG2 4.39Å; F33-I87 HydrophobicContact CE2-CG2 4.04Å; F33-I87 HydrophobicContact CZ-CG2 4.1Å; V37-I87 HydrophobicContact CG2-CG1 4.12Å; V56-I87 HydrophobicContact CG1-CG1 4Å; P72-I87 HydrophobicContact CG-CD1 3.31Å; P72-I87 HydrophobicContact CG-CG1 4.37Å; D83-I87 PolarHBondContact O-N 3.4Å; D83-I87 VanDerWaalsContact O-N 3.1Å; M84-I87 HydrophobicContact CE-CB 4.27Å; M84-I87 HydrophobicContact CE-CG2 3.88Å; M84-I87 WeakPolarHBondContact O-CB 3.43Å; M84-I87 PolarHBondContact O-N 3.31Å; M84-I87 VanDerWaalsContact O-N 3.08Å; M84-I87 HydrophobicContact SD-CB 4.49Å; M84-I87 HydrophobicContact SD-CD1 4.39Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 3.01Å; I87-H90 WeakPolarHBondContact O-CB 3.33Å; I87-H90 PolarHBondContact O-N 2.97Å; I87-S91 PolarHBondContact O-N 3.08Å; I87-S91 PolarHBondContact O-OG 3.39Å
88W98.6Very high97.8Very high0 Ų049.2 Ų49.20%023%0.229CC..Hα-helixtrans-65.5-41.4178.2-69.8-43.3000112.8N14 I78 W81 M84 E85 H90 S91 F92 L107 M121 I124 M125 F129N14-W88 PolarHBondContact OD1-NE1 3Å; I78-W88 HydrophobicContact CD1-CH2 4.06Å; I78-W88 HydrophobicContact CD1-CZ2 4.24Å; W81-W88 HydrophobicContact CE3-CH2 4.45Å; W81-W88 HydrophobicContact CE3-CZ3 4.46Å; W81-W88 AromaticContact CZ3-CH2 3.94Å; W81-W88 HydrophobicContact CZ3-CH2 3.94Å; W81-W88 HydrophobicContact CZ3-CZ3 4.32Å; M84-W88 HydrophobicContact CB-CZ3 4.33Å; M84-W88 HydrophobicContact CE-CD2 4Å; M84-W88 HydrophobicContact CE-CG 4.32Å; M84-W88 HydrophobicContact CE-CH2 4.48Å; M84-W88 HydrophobicContact CE-CZ2 3.63Å; M84-W88 HydrophobicContact CG-CD2 4.08Å; M84-W88 HydrophobicContact CG-CE3 3.97Å; M84-W88 HydrophobicContact CG-CH2 3.52Å; M84-W88 HydrophobicContact CG-CZ2 3.63Å; M84-W88 HydrophobicContact CG-CZ3 3.7Å; M84-W88 PolarHBondContact O-N 3.44Å; M84-W88 HydrophobicContact SD-CZ2 4.42Å; E85-W88 PolarHBondContact O-N 3.46Å; W88-H90 VanDerWaalsContact C-N 3.27Å; W88-H90 PolarHBondContact O-N 2.93Å; W88-S91 WeakPolarHBondContact O-CB 3.49Å; W88-S91 PolarHBondContact O-N 3.1Å; W88-S91 VanDerWaalsContact O-N 3.16Å; W88-F92 HydrophobicContact CB-CD2 4.45Å; W88-F92 HydrophobicContact CB-CE2 4Å; W88-F92 WeakPolarHBondContact O-CD2 3.37Å; W88-F92 WeakPolarHBondContact O-CG 3.43Å; W88-F92 PolarHBondContact O-N 3.31Å; W88-L107 HydrophobicContact CZ2-CD2 4.3Å; W88-M121 HydrophobicContact CH2-CB 4.33Å; W88-M121 HydrophobicContact CH2-CE 4.43Å; W88-M121 HydrophobicContact CH2-CG 3.76Å; W88-M121 HydrophobicContact CZ2-CE 4.22Å; W88-M121 HydrophobicContact CZ2-CG 4.01Å; W88-M121 HydrophobicContact CZ2-SD 4.41Å; W88-I124 HydrophobicContact CE3-CG2 4.11Å; W88-I124 HydrophobicContact CZ3-CB 4.44Å; W88-I124 HydrophobicContact CZ3-CD1 4.16Å; W88-I124 HydrophobicContact CZ3-CG2 4.04Å; W88-M125 HydrophobicContact CB-CE 4.19Å; W88-M125 HydrophobicContact CD2-CE 3.29Å; W88-M125 HydrophobicContact CE3-CE 3.64Å; W88-M125 HydrophobicContact CG-CE 3.56Å; W88-M125 HydrophobicContact CH2-CE 4.33Å; W88-M125 HydrophobicContact CZ2-CE 4.05Å; W88-M125 HydrophobicContact CZ3-CE 4.14Å; W88-F129 HydrophobicContact CB-CE2 3.78Å; W88-F129 HydrophobicContact CB-CZ 3.72Å; W88-F129 HydrophobicContact CE3-CE2 4.19Å
89H98.4Very high97.9Very high93 Ų9349.8 Ų49.843%0.43124%0.236SC..Hα-helixtrans-56.4-45.1172.5-178.3-66.9000110.9E85 F92 Y93 F129E85-H89 WeakPolarHBondContact O-CB 3.49Å; E85-H89 PolarHBondContact O-N 2.8Å; H89-F92 PolarHBondContact O-N 2.87Å; H89-Y93 HydrophobicContact CB-CD2 4.45Å; H89-Y93 AromaticContact CD2-CD2 3.59Å; H89-Y93 AromaticContact CD2-CE2 3.75Å; H89-Y93 AromaticContact CE1-CD2 3.64Å; H89-Y93 AromaticContact CG-CD2 3.72Å; H89-Y93 AromaticContact ND1-CD2 3.75Å; H89-Y93 AromaticContact NE2-CD2 3.56Å; H89-Y93 AromaticContact NE2-CE2 3.92Å; H89-Y93 WeakPolarHBondContact O-CB 3.41Å; H89-Y93 WeakPolarHBondContact O-CD2 3.16Å; H89-Y93 PolarHBondContact O-N 2.97Å; H89-F129 HydrophobicContact CB-CE1 4.08Å; H89-F129 HydrophobicContact CB-CZ 4.22Å
90H98.3Very high98Very high23 Ų2346.2 Ų46.211%0.10621%0.214CC..Iπ-helixtrans-62.2-45.1175.9-175.467.5000112F33 V56 K86 I87 W88 F92 N94 E95F33-H90 AromaticContact CE2-CD2 3.78Å; F33-H90 AromaticContact CZ-CD2 3.91Å; V56-H90 HydrophobicContact CB-CB 3.99Å; V56-H90 HydrophobicContact CG1-CB 3.73Å; V56-H90 HydrophobicContact CG2-CB 4.32Å; K86-H90 VanDerWaalsContact O-CB 3.29Å; K86-H90 WeakPolarHBondContact O-CB 3.42Å; K86-H90 PolarHBondContact O-N 2.82Å; I87-H90 WeakPolarHBondContact O-CB 3.33Å; I87-H90 PolarHBondContact O-N 2.97Å; W88-H90 VanDerWaalsContact C-N 3.27Å; W88-H90 PolarHBondContact O-N 2.93Å; H90-F92 PolarHBondContact O-N 2.84Å; H90-N94 WeakPolarHBondContact ND1-CB 3.41Å; H90-N94 PolarHBondContact ND1-OD1 3.22Å; H90-N94 WeakPolarHBondContact O-CA 3.42Å; H90-N94 VanDerWaalsContact O-CB 3.3Å; H90-N94 WeakPolarHBondContact O-CB 3.37Å; H90-N94 PolarHBondContact O-N 3.23Å; H90-E95 IonicContact CE1-OE1 2.77Å; H90-E95 IonicContact NE2-OE1 3.62Å; H90-E95 PolarHBondContact NE2-OE1 3.06Å; H90-E95 PolarHBondContact O-N 3.45Å
91S98.2Very high98Very high0 Ų048.4 Ų48.40%022%0.223CC..Iπ-helixtrans-54.8-51.2175.2-62.50000112F33 I87 W88 L96F33-S91 VanDerWaalsContact CZ-OG 3.26Å; F33-S91 WeakPolarHBondContact CZ-OG 3.34Å; I87-S91 PolarHBondContact O-N 3.08Å; I87-S91 PolarHBondContact O-OG 3.39Å; W88-S91 WeakPolarHBondContact O-CB 3.49Å; W88-S91 PolarHBondContact O-N 3.1Å; W88-S91 VanDerWaalsContact O-N 3.16Å; S91-L96 WeakPolarHBondContact O-CB 3.29Å; S91-L96 VanDerWaalsContact O-CG 3.32Å; S91-L96 WeakPolarHBondContact O-CG 3.36Å; S91-L96 PolarHBondContact O-N 2.93Å
92F98.4Very high97.9Very high0 Ų052.1 Ų52.10%024%0.242CC..Iπ-helixtrans-73.4-52.7-174.6-58.7-43.5000112.2L10 W88 H89 H90 R97 V98 P100 T105 M125 F129L10-F92 HydrophobicContact CD1-CD1 3.71Å; L10-F92 HydrophobicContact CD1-CE1 3.75Å; W88-F92 HydrophobicContact CB-CD2 4.45Å; W88-F92 HydrophobicContact CB-CE2 4Å; W88-F92 WeakPolarHBondContact O-CD2 3.37Å; W88-F92 WeakPolarHBondContact O-CG 3.43Å; W88-F92 PolarHBondContact O-N 3.31Å; H89-F92 PolarHBondContact O-N 2.87Å; H90-F92 PolarHBondContact O-N 2.84Å; F92-R97 WeakPolarHBondContact O-CA 3.37Å; F92-R97 PolarHBondContact O-N 3.3Å; F92-V98 PolarHBondContact O-N 3.33Å; F92-P100 HydrophobicContact CB-CB 4.42Å; F92-P100 HydrophobicContact CB-CG 4.38Å; F92-P100 HydrophobicContact CD2-CB 3.84Å; F92-P100 HydrophobicContact CD2-CG 4.11Å; F92-P100 HydrophobicContact CE2-CB 4.19Å; F92-P100 HydrophobicContact CG-CB 4.03Å; F92-P100 HydrophobicContact CG-CG 4.4Å; F92-T105 HydrophobicContact CE1-CG2 4.24Å; F92-T105 HydrophobicContact CZ-CG2 4.06Å; F92-M125 HydrophobicContact CE2-CE 4.33Å; F92-M125 HydrophobicContact CE2-SD 4.25Å; F92-M125 HydrophobicContact CZ-CE 4.27Å; F92-M125 HydrophobicContact CZ-SD 4.19Å; F92-F129 AromaticContact CD2-CD1 3.85Å; F92-F129 HydrophobicContact CD2-CD1 3.85Å; F92-F129 HydrophobicContact CD2-CE1 4Å; F92-F129 HydrophobicContact CD2-CG 4.31Å; F92-F129 HydrophobicContact CE2-CD1 4.05Å; F92-F129 HydrophobicContact CE2-CD2 4.29Å; F92-F129 HydrophobicContact CE2-CE1 4.32Å; F92-F129 HydrophobicContact CE2-CG 4.04Å
93Y98.1Very high97.9Very high94 Ų9448.2 Ų48.237%0.36922%0.221SC..Iπ-helixtrans-90.1-28.8-167.6-64.3-74.3000114.1H89 P100 F129H89-Y93 HydrophobicContact CB-CD2 4.45Å; H89-Y93 AromaticContact CD2-CD2 3.59Å; H89-Y93 AromaticContact CD2-CE2 3.75Å; H89-Y93 AromaticContact CE1-CD2 3.64Å; H89-Y93 AromaticContact CG-CD2 3.72Å; H89-Y93 AromaticContact ND1-CD2 3.75Å; H89-Y93 AromaticContact NE2-CD2 3.56Å; H89-Y93 AromaticContact NE2-CE2 3.92Å; H89-Y93 WeakPolarHBondContact O-CB 3.41Å; H89-Y93 WeakPolarHBondContact O-CD2 3.16Å; H89-Y93 PolarHBondContact O-N 2.97Å; Y93-P100 HydrophobicContact CE1-CG 4.49Å; Y93-P100 HydrophobicContact CE2-CG 4.17Å; Y93-P100 VanDerWaalsContact CZ-CD 3.46Å; Y93-P100 WeakPolarHBondContact OH-CD 3.36Å; Y93-P100 WeakPolarHBondContact OH-CG 3.44Å; Y93-F129 HydrophobicContact CE2-CD1 4.45Å; Y93-F129 HydrophobicContact CE2-CE1 4.38Å
94N96.8Very high97.9Very high78 Ų7849.1 Ų49.142%0.41723%0.227SC..Iπ-helixtrans-100.3-49.8-176.7-62.999.6000112.4H90 R97H90-N94 WeakPolarHBondContact ND1-CB 3.41Å; H90-N94 PolarHBondContact ND1-OD1 3.22Å; H90-N94 WeakPolarHBondContact O-CA 3.42Å; H90-N94 VanDerWaalsContact O-CB 3.3Å; H90-N94 WeakPolarHBondContact O-CB 3.37Å; H90-N94 PolarHBondContact O-N 3.23Å; N94-R97 WeakPolarHBondContact O-CG 3.39Å
95E98Very high97.9Very high76 Ų7649.1 Ų49.136%0.35523%0.227SC..Iπ-helixtrans-79-58.3-176-66.4-61.2124.300111.3A31 F33 H90A31-E95 HydrophobicContact CB-CB 3.68Å; A31-E95 HydrophobicContact CB-CG 4.12Å; F33-E95 HydrophobicContact CD1-CG 3.9Å; F33-E95 HydrophobicContact CE1-CG 3.91Å; H90-E95 IonicContact CE1-OE1 2.77Å; H90-E95 IonicContact NE2-OE1 3.62Å; H90-E95 PolarHBondContact NE2-OE1 3.06Å; H90-E95 PolarHBondContact O-N 3.45Å
96L97.7Very high97.9Very high17 Ų1745.7 Ų45.79%0.08921%0.211CC..Iπ-helixtrans-83.8-24.1-178.4-60.5-176.1000113.5L10 A21 F23 R30 S91 V98L10-L96 HydrophobicContact CD2-CD1 4.13Å; A21-L96 HydrophobicContact CB-CD1 4.06Å; A21-L96 HydrophobicContact CB-CD2 4.43Å; A21-L96 HydrophobicContact CB-CG 4.33Å; F23-L96 HydrophobicContact CE2-CD2 4.19Å; R30-L96 HydrophobicContact CB-CD2 4Å; S91-L96 WeakPolarHBondContact O-CB 3.29Å; S91-L96 VanDerWaalsContact O-CG 3.32Å; S91-L96 WeakPolarHBondContact O-CG 3.36Å; S91-L96 PolarHBondContact O-N 2.93Å; L96-V98 HydrophobicContact CB-CG1 4.49Å; L96-V98 HydrophobicContact CB-CG2 3.97Å
97R98Very high98Very high212 Ų21243.2 Ų43.280%0.820%0.2SC*.  trans56.246.6-179.5-54.2-178.9-178.3179.51.5113F92 N94F92-R97 WeakPolarHBondContact O-CA 3.37Å; F92-R97 PolarHBondContact O-N 3.3Å; N94-R97 WeakPolarHBondContact O-CG 3.39Å
98V97.6Very high97.9Very high23 Ų2343.3 Ų43.314%0.13920%0.2CC..  trans-120.6158.9179.1-64.30000111.5L10 F23 F92 L96 P100L10-V98 HydrophobicContact CD1-CG2 3.81Å; L10-V98 HydrophobicContact CD2-CG2 4.29Å; F23-V98 HydrophobicContact CE1-CG1 3.96Å; F23-V98 HydrophobicContact CZ-CG1 3.56Å; F92-V98 PolarHBondContact O-N 3.33Å; L96-V98 HydrophobicContact CB-CG1 4.49Å; L96-V98 HydrophobicContact CB-CG2 3.97Å; V98-P100 WeakPolarHBondContact O-CD 3.5Å
99A97.7Very high97.8Very high26 Ų2643.7 Ų43.722%0.21520%0.202CC..  trans-87.5109.7168.700000108.8E101 E102 H103A99-E101 HydrophobicContact CB-CG 4.34Å; A99-E101 PolarHBondContact O-N 2.92Å; A99-E101 VanDerWaalsContact O-N 3.14Å; A99-E102 HydrophobicContact CB-CG 4.19Å; A99-E102 PolarHBondContact O-N 3.28Å; A99-H103 PolarHBondContact O-CD2 2.92Å
100P97.6Very high97.5Very high0 Ų039.3 Ų39.30%018%0.182CC..G310 helixtrans-59.6-25.3-175.724.2-33.6000113.7F92 Y93 V98 E102 H103 F129 V131F92-P100 HydrophobicContact CB-CB 4.42Å; F92-P100 HydrophobicContact CB-CG 4.38Å; F92-P100 HydrophobicContact CD2-CB 3.84Å; F92-P100 HydrophobicContact CD2-CG 4.11Å; F92-P100 HydrophobicContact CE2-CB 4.19Å; F92-P100 HydrophobicContact CG-CB 4.03Å; F92-P100 HydrophobicContact CG-CG 4.4Å; Y93-P100 HydrophobicContact CE1-CG 4.49Å; Y93-P100 HydrophobicContact CE2-CG 4.17Å; Y93-P100 VanDerWaalsContact CZ-CD 3.46Å; Y93-P100 WeakPolarHBondContact OH-CD 3.36Å; Y93-P100 WeakPolarHBondContact OH-CG 3.44Å; V98-P100 WeakPolarHBondContact O-CD 3.5Å; P100-E102 PolarHBondContact O-N 3.14Å; P100-H103 PolarHBondContact O-N 2.94Å; P100-F129 HydrophobicContact CB-CB 4.26Å; P100-F129 HydrophobicContact CG-CB 4.23Å; P100-F129 HydrophobicContact CG-CD1 4.1Å; P100-V131 HydrophobicContact CB-CG1 4.22Å
101E97.6Very high97.1Very high95 Ų9538.2 Ų38.244%0.44418%0.177SC..G310 helixtrans-65.9-13.5175.763.6-92.5-139.800114.5A99 N130 P132A99-E101 HydrophobicContact CB-CG 4.34Å; A99-E101 PolarHBondContact O-N 2.92Å; A99-E101 VanDerWaalsContact O-N 3.14Å; E101-N130 WeakPolarHBondContact CA-O 3.46Å; E101-N130 HydrophobicContact CB-CB 4.17Å; E101-P132 WeakPolarHBondContact O-CD 3.33Å
102E97Very high96.7Very high126 Ų12643.1 Ų43.159%0.58920%0.203SC*.G310 helixtrans-97-10.9177.6-62.6-177170.200112.6S7 A99 P100S7-E102 WeakPolarHBondContact CB-O 3.46Å; S7-E102 PolarHBondContact OG-O 3.48Å; A99-E102 HydrophobicContact CB-CG 4.19Å; A99-E102 PolarHBondContact O-N 3.28Å; P100-E102 PolarHBondContact O-N 3.14Å
103H97.6Very high96.3Very high24 Ų2443.8 Ų43.811%0.11121%0.206CC..SBendtrans-126.8127.8-168.1-67-89.6000114.5T8 L10 A99 P100 T105 P132T8-H103 PolarHBondContact O-ND1 3.08Å; L10-H103 HydrophobicContact CD1-CB 3.87Å; L10-H103 HydrophobicContact CD2-CB 4.34Å; L10-H103 HydrophobicContact CG-CB 3.71Å; A99-H103 PolarHBondContact O-CD2 2.92Å; P100-H103 PolarHBondContact O-N 2.94Å; H103-T105 PolarHBondContact O-N 2.77Å; H103-T105 PolarHBondContact O-OG1 3.03Å; H103-P132 WeakPolarHBondContact O-CD 3.45Å
104P97.8Very high96.1Very high21 Ų2142.2 Ų42.214%0.13621%0.208CC..  trans-55.9139.5164.9-22.833.5000110.8S7 A9 L10 A133 W358S7-P104 WeakPolarHBondContact OG-CD 3.43Å; A9-P104 CarbonylContact C-O 3.58Å; A9-P104 VanDerWaalsContact CA-O 3.22Å; A9-P104 WeakPolarHBondContact CA-O 3.3Å; A9-P104 HydrophobicContact CB-CB 4.12Å; L10-P104 PolarHBondContact N-O 3.38Å; P104-A133 CarbonylContact C-O 3.54Å; P104-A133 VanDerWaalsContact CA-O 3.3Å; P104-A133 WeakPolarHBondContact CA-O 3.3Å; P104-A133 HydrophobicContact CB-CB 4.29Å; P104-W358 HydrophobicContact CB-CD2 4.31Å; P104-W358 HydrophobicContact CB-CE3 4.32Å; P104-W358 HydrophobicContact CB-CH2 4Å; P104-W358 HydrophobicContact CB-CZ2 3.98Å; P104-W358 HydrophobicContact CB-CZ3 4.18Å
105T98.4Very high96Very high0 Ų045.5 Ų45.50%022%0.218CC..EExtended strand (participates in β ladder)trans-126.9115.7-173.7-620000112.5L10 F92 H103 L107 A133 M134 Y135L10-T105 HydrophobicContact CB-CG2 4.43Å; F92-T105 HydrophobicContact CE1-CG2 4.24Å; F92-T105 HydrophobicContact CZ-CG2 4.06Å; H103-T105 PolarHBondContact O-N 2.77Å; H103-T105 PolarHBondContact O-OG1 3.03Å; T105-L107 HydrophobicContact CG2-CD1 4.34Å; T105-L107 HydrophobicContact CG2-CG 4.11Å; T105-A133 PolarHBondContact N-O 2.94Å; T105-M134 WeakPolarHBondContact O-CA 3.47Å; T105-M134 VanDerWaalsContact O-CB 3.28Å; T105-M134 WeakPolarHBondContact O-CB 3.49Å; T105-Y135 PolarHBondContact O-N 2.81Å; T105-Y135 VanDerWaalsContact O-N 3.09Å
106L98.6Very high95.9Very high0 Ų044.9 Ų44.90%023%0.226CC..EExtended strand (participates in β ladder)trans-87.4124.5169.4-171.4153.5000109.6L10 V11 C12 T108 Y135 A137 L142 L348 A349 F354 W358L10-L106 PolarHBondContact O-N 2.95Å; V11-L106 HydrophobicContact CG1-CD2 4.2Å; V11-L106 HydrophobicContact CG2-CB 4.43Å; C12-L106 PolarHBondContact N-O 3.11Å; L106-T108 HydrophobicContact CD2-CG2 4.33Å; L106-Y135 WeakPolarHBondContact CA-O 3.37Å; L106-Y135 HydrophobicContact CD1-CD1 4.47Å; L106-A137 HydrophobicContact CD2-CB 4.23Å; L106-L142 HydrophobicContact CD2-CD1 4.15Å; L106-L348 HydrophobicContact CD1-CD2 4.25Å; L106-A349 HydrophobicContact CB-CB 4.47Å; L106-A349 HydrophobicContact CD1-CB 4.04Å; L106-F354 HydrophobicContact CD1-CE1 4.17Å; L106-F354 HydrophobicContact CD1-CZ 4.05Å; L106-W358 HydrophobicContact CB-CH2 3.94Å; L106-W358 HydrophobicContact CB-CZ3 4.29Å
107L98.4Very high95.8Very high0 Ų045.3 Ų45.30%023%0.229CC..EExtended strand (participates in β ladder)trans-112.6152.6175.4-71.5147.6000110.6C12 N14 W88 T105 M121 M125 M134 Y135 V136 A137C12-L107 HydrophobicContact CB-CD2 3.68Å; C12-L107 HydrophobicContact CB-CG 4.49Å; C12-L107 WeakPolarHBondContact O-CA 3.37Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.17Å; W88-L107 HydrophobicContact CZ2-CD2 4.3Å; T105-L107 HydrophobicContact CG2-CD1 4.34Å; T105-L107 HydrophobicContact CG2-CG 4.11Å; L107-M121 HydrophobicContact CB-SD 3.79Å; L107-M121 HydrophobicContact CD1-CG 4.05Å; L107-M121 HydrophobicContact CD1-SD 3.96Å; L107-M121 HydrophobicContact CG-SD 4.3Å; L107-M125 HydrophobicContact CD1-CE 3.61Å; L107-M125 HydrophobicContact CD1-CG 3.51Å; L107-M125 HydrophobicContact CD1-SD 3.77Å; L107-M125 HydrophobicContact CD2-CE 3.76Å; L107-M125 HydrophobicContact CG-CE 4.29Å; L107-M134 HydrophobicContact CD1-CE 3.84Å; L107-Y135 PolarHBondContact N-O 2.93Å; L107-V136 CarbonylContact O-C 3.48Å; L107-V136 WeakPolarHBondContact O-CA 3.43Å; L107-A137 PolarHBondContact O-N 2.83Å
108T97.6Very high95.7Very high1 Ų136.8 Ų36.81%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-106.8150.6173.677.40000111.8C12 D13 N14 L106 A137 Q139 L142 V341C12-T108 PolarHBondContact O-N 2.86Å; C12-T108 VanDerWaalsContact O-N 3.11Å; D13-T108 VanDerWaalsContact CA-OG1 3.31Å; D13-T108 WeakPolarHBondContact CA-OG1 3.24Å; D13-T108 HydrophobicContact CB-CG2 4.06Å; D13-T108 PolarHBondContact OD1-OG1 2.94Å; N14-T108 PolarHBondContact N-OG1 2.9Å; N14-T108 PolarHBondContact ND2-O 3.09Å; L106-T108 HydrophobicContact CD2-CG2 4.33Å; T108-A137 VanDerWaalsContact CA-O 3.3Å; T108-A137 WeakPolarHBondContact CA-O 3.3Å; T108-Q139 PolarHBondContact OG1-NE2 2.93Å; T108-L142 HydrophobicContact CG2-CD1 3.66Å; T108-V341 HydrophobicContact CG2-CG1 3.88Å
109E95.3Very high95.8Very high8 Ų838.7 Ų38.74%0.03720%0.204CC..EExtended strand (participates in β ladder)trans-136.4158.1169.866169.6-151.800112N113 R118 V136 A137 Q139E109-N113 HydrophobicContact CB-CB 4.34Å; E109-N113 HydrophobicContact CG-CB 4.41Å; E109-N113 PolarHBondContact OE2-ND2 3.48Å; E109-R118 VanDerWaalsContact CD-NE 3.28Å; E109-R118 IonicContact OE1-CZ 2.61Å; E109-R118 IonicContact OE1-NE 3.94Å; E109-R118 PolarHBondContact OE1-NE 3.44Å; E109-R118 IonicContact OE1-NH2 3.89Å; E109-R118 PolarHBondContact OE1-NH2 3.19Å; E109-R118 WeakPolarHBondContact OE2-CG 3.39Å; E109-R118 IonicContact OE2-CZ 3.87Å; E109-R118 IonicContact OE2-NE 2.89Å; E109-R118 PolarHBondContact OE2-NE 2.65Å; E109-V136 HydrophobicContact CB-CG1 4.06Å; E109-V136 HydrophobicContact CG-CG1 3.61Å; E109-A137 PolarHBondContact N-O 3.46Å; E109-Q139 VanDerWaalsContact O-CG 3.29Å; E109-Q139 WeakPolarHBondContact O-CG 3.39Å; E109-Q139 PolarHBondContact O-N 2.8Å; E109-Q139 VanDerWaalsContact O-N 3.15Å
110A92.9Very high95.8Very high1 Ų141 Ų411%0.00821%0.209CC..  trans-68.4151.8173.500000111.5G76 N113G76-A110 WeakPolarHBondContact O-CB 3.4Å; A110-N113 WeakPolarHBondContact O-CB 3.29Å; A110-N113 PolarHBondContact O-N 3.15Å
111P90.9Very high95.8Very high1 Ų141.1 Ų41.11%0.00621%0.21CC..THydrogen-bonded Turntrans-55.5144.8170-20.931.6000111.8N113 I138 H163 V165 I177P111-N113 PolarHBondContact O-N 3.01Å; P111-I138 HydrophobicContact CB-CG2 4.44Å; P111-I138 HydrophobicContact CG-CG2 4.05Å; P111-H163 HydrophobicContact CG-CB 4.15Å; P111-V165 HydrophobicContact CB-CG2 4.01Å; P111-V165 HydrophobicContact CG-CG2 3.47Å; P111-V165 VanDerWaalsContact CG-CG2 3.47Å; P111-I177 HydrophobicContact CB-CD1 4.15Å; P111-I177 HydrophobicContact CB-CG2 4.06Å
112L88.1Confident95.8Very high103 Ų10336.6 Ų36.654%0.53919%0.188SC..THydrogen-bonded Turntrans58.626.1-179.5-52175.2000114.3I177L112-I177 HydrophobicContact CD1-CB 4.21Å; L112-I177 HydrophobicContact CD1-CG2 3.92Å; L112-I177 HydrophobicContact CD2-CD1 4.11Å; L112-I177 HydrophobicContact CG-CB 4.45Å; L112-I177 HydrophobicContact CG-CD1 4.22Å; L112-I177 HydrophobicContact CG-CG2 4.16Å
113N90.6Very high95.9Very high13 Ų1333.3 Ų33.37%0.0717%0.173CC..  trans-56.6135.8172.5-170.234.5000110.7E109 A110 P111 K115E109-N113 HydrophobicContact CB-CB 4.34Å; E109-N113 HydrophobicContact CG-CB 4.41Å; E109-N113 PolarHBondContact OE2-ND2 3.48Å; A110-N113 WeakPolarHBondContact O-CB 3.29Å; A110-N113 PolarHBondContact O-N 3.15Å; P111-N113 PolarHBondContact O-N 3.01Å; N113-K115 PolarHBondContact O-N 3.43Å
114P93.6Very high95.9Very high62 Ų6232.4 Ų32.440%0.40317%0.169SC..  trans-54.6135.8176.1-28.936.4000111.9A116 N117 R118P114-A116 PolarHBondContact O-N 2.83Å; P114-N117 HydrophobicContact CB-CB 4.42Å; P114-N117 WeakPolarHBondContact O-CB 3.34Å; P114-N117 PolarHBondContact O-N 2.85Å; P114-R118 PolarHBondContact O-N 3.05Å
115K94.6Very high95.9Very high147 Ų14731.4 Ų31.464%0.63916%0.163SC*.Hα-helixtrans-53.2-43.5180-73.8-169.3179.1-174.60112.7N113 N117 R118 E119N113-K115 PolarHBondContact O-N 3.43Å; K115-N117 PolarHBondContact O-N 2.89Å; K115-R118 WeakPolarHBondContact O-CB 3.4Å; K115-R118 PolarHBondContact O-N 3.15Å; K115-E119 PolarHBondContact O-N 2.88Å
116A96.4Very high96Very high63 Ų6331.5 Ų31.552%0.52116%0.163SC..Hα-helixtrans-59.1-33176.900000113.2P114 K120P114-A116 PolarHBondContact O-N 2.83Å; A116-K120 VanDerWaalsContact O-CB 3.31Å; A116-K120 WeakPolarHBondContact O-CB 3.42Å; A116-K120 PolarHBondContact O-N 3.44Å
117N96.1Very high96Very high26 Ų2636.4 Ų36.414%0.13919%0.186CC..Hα-helixtrans-71-40.5176-7510.4000111.2I77 W81 P114 K115 K120 M121I77-N117 VanDerWaalsContact CG2-ND2 3.28Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.11Å; W81-N117 HydrophobicContact CH2-CB 4.22Å; W81-N117 WeakPolarHBondContact CH2-O 3.48Å; W81-N117 HydrophobicContact CZ2-CB 3.83Å; P114-N117 HydrophobicContact CB-CB 4.42Å; P114-N117 WeakPolarHBondContact O-CB 3.34Å; P114-N117 PolarHBondContact O-N 2.85Å; K115-N117 PolarHBondContact O-N 2.89Å; N117-K120 PolarHBondContact O-N 3.4Å; N117-M121 WeakPolarHBondContact O-CB 3.44Å; N117-M121 PolarHBondContact O-N 3.15Å
118R96.3Very high96Very high32 Ų3239.6 Ų39.612%0.12121%0.205CC..Hα-helixtrans-61.3-46.1175-162.9-177-61163.81.7110.9E109 P114 K115 K120 M121 T122 V136 V372 C376E109-R118 VanDerWaalsContact CD-NE 3.28Å; E109-R118 IonicContact OE1-CZ 2.61Å; E109-R118 IonicContact OE1-NE 3.94Å; E109-R118 PolarHBondContact OE1-NE 3.44Å; E109-R118 IonicContact OE1-NH2 3.89Å; E109-R118 PolarHBondContact OE1-NH2 3.19Å; E109-R118 WeakPolarHBondContact OE2-CG 3.39Å; E109-R118 IonicContact OE2-CZ 3.87Å; E109-R118 IonicContact OE2-NE 2.89Å; E109-R118 PolarHBondContact OE2-NE 2.65Å; P114-R118 PolarHBondContact O-N 3.05Å; K115-R118 WeakPolarHBondContact O-CB 3.4Å; K115-R118 PolarHBondContact O-N 3.15Å; R118-K120 PolarHBondContact O-N 3.21Å; R118-M121 PolarHBondContact O-N 3.4Å; R118-T122 PolarHBondContact O-N 3.43Å; R118-T122 PolarHBondContact O-OG1 3Å; R118-T122 VanDerWaalsContact O-OG1 3.1Å; R118-V136 HydrophobicContact CG-CB 4.43Å; R118-V136 HydrophobicContact CG-CG1 4.24Å; R118-V136 HydrophobicContact CG-CG2 4.4Å; R118-V372 HydrophobicContact CB-CG1 4.37Å; R118-V372 HydrophobicContact CG-CB 4.46Å; R118-V372 HydrophobicContact CG-CG1 3.82Å; R118-V372 HydrophobicContact CG-CG2 3.77Å; R118-C376 PolarHBondContact NH1-O 3.06Å
119E97.9Very high96Very high64 Ų6439.9 Ų39.930%0.29921%0.207SC..Hα-helixtrans-60.3-42.5174.2-70178.716200112.1K115 T122 Q123 P369 V372 H373K115-E119 PolarHBondContact O-N 2.88Å; E119-T122 WeakPolarHBondContact O-CB 3.38Å; E119-T122 PolarHBondContact O-N 3.45Å; E119-Q123 WeakPolarHBondContact O-CB 3.35Å; E119-Q123 PolarHBondContact O-N 2.81Å; E119-P369 HydrophobicContact CB-CB 3.77Å; E119-P369 HydrophobicContact CG-CB 4.09Å; E119-V372 HydrophobicContact CG-CG1 4.36Å; E119-H373 WeakPolarHBondContact CG-NE2 3.43Å; E119-H373 IonicContact OE1-CD2 3.78Å; E119-H373 PolarHBondContact OE1-CD2 3.31Å; E119-H373 IonicContact OE1-NE2 3.25Å; E119-H373 PolarHBondContact OE1-NE2 3.07Å
120K98.2Very high96.1Very high74 Ų7443.5 Ų43.532%0.32223%0.226SC..Hα-helixtrans-66.7-38.8179.5-174.259.2-179.1174.40112.7W81 A116 N117 R118 Q123 I124W81-K120 HydrophobicContact CD2-CB 4.36Å; W81-K120 HydrophobicContact CD2-CG 3.52Å; W81-K120 HydrophobicContact CE3-CB 4.5Å; W81-K120 HydrophobicContact CE3-CG 3.79Å; W81-K120 HydrophobicContact CG-CG 4.04Å; W81-K120 HydrophobicContact CH2-CB 3.88Å; W81-K120 HydrophobicContact CH2-CG 4.06Å; W81-K120 HydrophobicContact CZ2-CB 3.73Å; W81-K120 HydrophobicContact CZ2-CG 3.84Å; W81-K120 HydrophobicContact CZ3-CB 4.23Å; W81-K120 HydrophobicContact CZ3-CG 4.02Å; A116-K120 VanDerWaalsContact O-CB 3.31Å; A116-K120 WeakPolarHBondContact O-CB 3.42Å; A116-K120 PolarHBondContact O-N 3.44Å; N117-K120 PolarHBondContact O-N 3.4Å; R118-K120 PolarHBondContact O-N 3.21Å; K120-Q123 WeakPolarHBondContact O-CB 3.49Å; K120-Q123 PolarHBondContact O-N 2.92Å; K120-I124 HydrophobicContact CD-CD1 4.45Å; K120-I124 HydrophobicContact CG-CD1 4.21Å; K120-I124 WeakPolarHBondContact O-CG1 3.35Å; K120-I124 PolarHBondContact O-N 2.98Å
121M97.4Very high96.4Very high2 Ų243.4 Ų43.41%0.0123%0.226CC..Hα-helixtrans-60.9-46.2172-178.3-175.7-58.400110.8I78 W81 W88 L107 N117 R118 Q123 I124 M125 V136I78-M121 HydrophobicContact CD1-CE 3.71Å; W81-M121 HydrophobicContact CH2-CB 4.13Å; W81-M121 HydrophobicContact CZ3-CB 4.06Å; W88-M121 HydrophobicContact CH2-CB 4.33Å; W88-M121 HydrophobicContact CH2-CE 4.43Å; W88-M121 HydrophobicContact CH2-CG 3.76Å; W88-M121 HydrophobicContact CZ2-CE 4.22Å; W88-M121 HydrophobicContact CZ2-CG 4.01Å; W88-M121 HydrophobicContact CZ2-SD 4.41Å; L107-M121 HydrophobicContact CB-SD 3.79Å; L107-M121 HydrophobicContact CD1-CG 4.05Å; L107-M121 HydrophobicContact CD1-SD 3.96Å; L107-M121 HydrophobicContact CG-SD 4.3Å; N117-M121 WeakPolarHBondContact O-CB 3.44Å; N117-M121 PolarHBondContact O-N 3.15Å; R118-M121 PolarHBondContact O-N 3.4Å; M121-Q123 VanDerWaalsContact C-N 3.35Å; M121-Q123 PolarHBondContact O-N 3.16Å; M121-I124 PolarHBondContact O-N 2.8Å; M121-M125 VanDerWaalsContact O-CG 3.32Å; M121-M125 WeakPolarHBondContact O-CG 3.38Å; M121-M125 PolarHBondContact O-N 3.08Å; M121-M125 VanDerWaalsContact O-N 3.09Å; M121-V136 HydrophobicContact SD-CG1 4.49Å; M121-V136 HydrophobicContact SD-CG2 4.15Å
122T98.1Very high96.7Very high0 Ų045.7 Ų45.70%024%0.241CC..Hα-helixtrans-59.4-45.2175.8-62.50000112R118 E119 I124 M125 F126 M134 Y364R118-T122 PolarHBondContact O-N 3.43Å; R118-T122 PolarHBondContact O-OG1 3Å; R118-T122 VanDerWaalsContact O-OG1 3.1Å; E119-T122 WeakPolarHBondContact O-CB 3.38Å; E119-T122 PolarHBondContact O-N 3.45Å; T122-I124 PolarHBondContact O-N 3.26Å; T122-M125 PolarHBondContact O-N 2.83Å; T122-F126 HydrophobicContact CG2-CD2 3.72Å; T122-F126 HydrophobicContact CG2-CE2 3.8Å; T122-F126 WeakPolarHBondContact O-CD2 3.3Å; T122-F126 PolarHBondContact O-N 2.89Å; T122-F126 VanDerWaalsContact O-N 3.12Å; T122-M134 HydrophobicContact CG2-SD 3.94Å; T122-Y364 HydrophobicContact CG2-CD2 3.81Å; T122-Y364 HydrophobicContact CG2-CE2 3.89Å
123Q98.4Very high97.2Very high57 Ų5741.4 Ų41.427%0.26622%0.22SC..Hα-helixtrans-56.5-51.8176.9-171.7-167.83.100111.3E119 K120 M121 M125 F126 E127 P369E119-Q123 WeakPolarHBondContact O-CB 3.35Å; E119-Q123 PolarHBondContact O-N 2.81Å; K120-Q123 WeakPolarHBondContact O-CB 3.49Å; K120-Q123 PolarHBondContact O-N 2.92Å; M121-Q123 VanDerWaalsContact C-N 3.35Å; M121-Q123 PolarHBondContact O-N 3.16Å; Q123-M125 VanDerWaalsContact C-N 3.32Å; Q123-M125 PolarHBondContact O-N 3.4Å; Q123-F126 PolarHBondContact O-N 3.48Å; Q123-E127 HydrophobicContact CG-CG 4.12Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.38Å; Q123-E127 VanDerWaalsContact CG-OE2 3.23Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.44Å; Q123-E127 PolarHBondContact NE2-OE2 3.22Å; Q123-E127 VanDerWaalsContact O-CB 3.24Å; Q123-E127 WeakPolarHBondContact O-CB 3.31Å; Q123-E127 WeakPolarHBondContact O-CG 3.35Å; Q123-E127 PolarHBondContact O-N 2.78Å; Q123-P369 HydrophobicContact CB-CG 4.43Å
124I98.6Very high97.5Very high6 Ų640.8 Ų40.83%0.03122%0.216CC..Hα-helixtrans-61.7-42.1-177.6-68.9165.4000111W81 E85 W88 K120 M121 T122 F126 T128 F129W81-I124 HydrophobicContact CB-CD1 4.4Å; W81-I124 HydrophobicContact CD2-CD1 4.22Å; W81-I124 HydrophobicContact CE3-CD1 3.42Å; W81-I124 VanDerWaalsContact CE3-CD1 3.42Å; W81-I124 HydrophobicContact CZ3-CD1 4.05Å; E85-I124 HydrophobicContact CG-CG2 4.3Å; W88-I124 HydrophobicContact CE3-CG2 4.11Å; W88-I124 HydrophobicContact CZ3-CB 4.44Å; W88-I124 HydrophobicContact CZ3-CD1 4.16Å; W88-I124 HydrophobicContact CZ3-CG2 4.04Å; K120-I124 HydrophobicContact CD-CD1 4.45Å; K120-I124 HydrophobicContact CG-CD1 4.21Å; K120-I124 WeakPolarHBondContact O-CG1 3.35Å; K120-I124 PolarHBondContact O-N 2.98Å; M121-I124 PolarHBondContact O-N 2.8Å; T122-I124 PolarHBondContact O-N 3.26Å; I124-F126 PolarHBondContact O-N 2.99Å; I124-T128 WeakPolarHBondContact O-CA 3.44Å; I124-T128 WeakPolarHBondContact O-CB 3.41Å; I124-T128 PolarHBondContact O-N 3.22Å; I124-F129 HydrophobicContact CG2-CD2 3.85Å; I124-F129 HydrophobicContact CG2-CE2 3.66Å; I124-F129 PolarHBondContact O-N 3.12Å; I124-F129 VanDerWaalsContact O-N 3.09Å
125M98.6Very high97.7Very high0 Ų038.8 Ų38.80%020%0.201CC..Hα-helixtrans-63.4-43.4-179.7-71.5-68.5160.200112.5W88 F92 L107 M121 T122 Q123 F129 N130 V131 M134W88-M125 HydrophobicContact CB-CE 4.19Å; W88-M125 HydrophobicContact CD2-CE 3.29Å; W88-M125 HydrophobicContact CE3-CE 3.64Å; W88-M125 HydrophobicContact CG-CE 3.56Å; W88-M125 HydrophobicContact CH2-CE 4.33Å; W88-M125 HydrophobicContact CZ2-CE 4.05Å; W88-M125 HydrophobicContact CZ3-CE 4.14Å; F92-M125 HydrophobicContact CE2-CE 4.33Å; F92-M125 HydrophobicContact CE2-SD 4.25Å; F92-M125 HydrophobicContact CZ-CE 4.27Å; F92-M125 HydrophobicContact CZ-SD 4.19Å; L107-M125 HydrophobicContact CD1-CE 3.61Å; L107-M125 HydrophobicContact CD1-CG 3.51Å; L107-M125 HydrophobicContact CD1-SD 3.77Å; L107-M125 HydrophobicContact CD2-CE 3.76Å; L107-M125 HydrophobicContact CG-CE 4.29Å; M121-M125 VanDerWaalsContact O-CG 3.32Å; M121-M125 WeakPolarHBondContact O-CG 3.38Å; M121-M125 PolarHBondContact O-N 3.08Å; M121-M125 VanDerWaalsContact O-N 3.09Å; T122-M125 PolarHBondContact O-N 2.83Å; Q123-M125 VanDerWaalsContact C-N 3.32Å; Q123-M125 PolarHBondContact O-N 3.4Å; M125-F129 HydrophobicContact CE-CD2 4.35Å; M125-F129 CarbonylContact O-C 3.57Å; M125-F129 WeakPolarHBondContact O-CB 3.43Å; M125-F129 HydrophobicContact SD-CD2 4.07Å; M125-N130 PolarHBondContact O-N 3.36Å; M125-V131 HydrophobicContact CB-CG2 3.96Å; M125-V131 PolarHBondContact O-N 3.03Å; M125-V131 VanDerWaalsContact O-N 3.14Å; M125-V131 HydrophobicContact SD-CG1 4.4Å; M125-M134 HydrophobicContact CB-CE 4.36Å; M125-M134 HydrophobicContact CB-SD 3.53Å; M125-M134 VanDerWaalsContact CB-SD 3.53Å; M125-M134 HydrophobicContact CG-CE 4.29Å; M125-M134 HydrophobicContact CG-SD 4.11Å
126F98.6Very high97.9Very high1 Ų132 Ų320%0.00417%0.172CC..Hα-helixtrans-82.5-36.9-179.4-76.4-60.1000114.7T122 Q123 I124 N130 V131 M134 I359 K361 Y364T122-F126 HydrophobicContact CG2-CD2 3.72Å; T122-F126 HydrophobicContact CG2-CE2 3.8Å; T122-F126 WeakPolarHBondContact O-CD2 3.3Å; T122-F126 PolarHBondContact O-N 2.89Å; T122-F126 VanDerWaalsContact O-N 3.12Å; Q123-F126 PolarHBondContact O-N 3.48Å; I124-F126 PolarHBondContact O-N 2.99Å; F126-N130 WeakPolarHBondContact O-CA 2.98Å; F126-N130 PolarHBondContact O-OD1 3.01Å; F126-N130 VanDerWaalsContact O-OD1 3.13Å; F126-V131 HydrophobicContact CD1-CG2 3.94Å; F126-V131 WeakPolarHBondContact CD1-O 3.16Å; F126-V131 HydrophobicContact CE1-CG2 4.03Å; F126-M134 HydrophobicContact CD2-CG 4.33Å; F126-M134 HydrophobicContact CD2-SD 3.94Å; F126-M134 HydrophobicContact CE1-CG 4.4Å; F126-M134 HydrophobicContact CE2-CG 3.53Å; F126-M134 HydrophobicContact CE2-SD 3.67Å; F126-M134 HydrophobicContact CZ-CB 4.5Å; F126-M134 HydrophobicContact CZ-CG 3.58Å; F126-M134 HydrophobicContact CZ-SD 4.27Å; F126-I359 HydrophobicContact CE2-CG2 3.88Å; F126-I359 HydrophobicContact CZ-CB 4.31Å; F126-I359 HydrophobicContact CZ-CG2 3.86Å; F126-I359 WeakPolarHBondContact CZ-O 3.46Å; F126-K361 HydrophobicContact CD1-CB 4.09Å; F126-K361 HydrophobicContact CD1-CG 4.13Å; F126-K361 HydrophobicContact CE1-CB 4.03Å; F126-K361 PolarHBondContact O-NZ 2.85Å; F126-Y364 HydrophobicContact CB-CD1 3.7Å; F126-Y364 HydrophobicContact CB-CD2 4.35Å; F126-Y364 HydrophobicContact CB-CE1 3.79Å; F126-Y364 HydrophobicContact CB-CE2 4.4Å; F126-Y364 HydrophobicContact CB-CG 3.99Å; F126-Y364 HydrophobicContact CD2-CD1 4.02Å; F126-Y364 AromaticContact CD2-CD2 3.35Å; F126-Y364 HydrophobicContact CD2-CD2 3.35Å; F126-Y364 AromaticContact CD2-CE2 3.94Å; F126-Y364 HydrophobicContact CD2-CE2 3.94Å; F126-Y364 AromaticContact CD2-CG 3.38Å; F126-Y364 HydrophobicContact CD2-CG 3.38Å; F126-Y364 AromaticContact CE2-CD2 3.86Å; F126-Y364 HydrophobicContact CE2-CD2 3.86Å; F126-Y364 AromaticContact CE2-CG 3.89Å; F126-Y364 HydrophobicContact CE2-CG 3.89Å; F126-Y364 AromaticContact CG-CD1 3.93Å; F126-Y364 HydrophobicContact CG-CD1 3.93Å; F126-Y364 HydrophobicContact CG-CD2 4.11Å; F126-Y364 HydrophobicContact CG-CE1 4.45Å; F126-Y364 AromaticContact CG-CG 3.74Å; F126-Y364 HydrophobicContact CG-CG 3.74Å
127E98.4Very high97.9Very high103 Ų10329.2 Ų29.248%0.48115%0.149SC..Hα-helixtrans-91.3-33.9-173.8-63-178.2-174.900112.8Q123 Y364Q123-E127 HydrophobicContact CG-CG 4.12Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.38Å; Q123-E127 VanDerWaalsContact CG-OE2 3.23Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.44Å; Q123-E127 PolarHBondContact NE2-OE2 3.22Å; Q123-E127 VanDerWaalsContact O-CB 3.24Å; Q123-E127 WeakPolarHBondContact O-CB 3.31Å; Q123-E127 WeakPolarHBondContact O-CG 3.35Å; Q123-E127 PolarHBondContact O-N 2.78Å; E127-Y364 HydrophobicContact CG-CE1 4.06Å; E127-Y364 PolarHBondContact OE1-OH 3.48Å
128T98.4Very high97.9Very high67 Ų6728.7 Ų28.741%0.41115%0.146SC..THydrogen-bonded Turntrans-99.1-48.7-177.6-48.50000111.6E85 I124E85-T128 HydrophobicContact CG-CG2 4.42Å; E85-T128 WeakPolarHBondContact OE1-CG2 3.18Å; I124-T128 WeakPolarHBondContact O-CA 3.44Å; I124-T128 WeakPolarHBondContact O-CB 3.41Å; I124-T128 PolarHBondContact O-N 3.22Å
129F98.4Very high97.9Very high8 Ų828.1 Ų28.14%0.03515%0.145CC..SBendtrans-90.8-7.7-179.4-66.9-69.2000114.1E85 W88 H89 F92 Y93 P100 I124 M125 V131E85-F129 HydrophobicContact CG-CE2 4Å; E85-F129 HydrophobicContact CG-CZ 3.87Å; W88-F129 HydrophobicContact CB-CE2 3.78Å; W88-F129 HydrophobicContact CB-CZ 3.72Å; W88-F129 HydrophobicContact CE3-CE2 4.19Å; H89-F129 HydrophobicContact CB-CE1 4.08Å; H89-F129 HydrophobicContact CB-CZ 4.22Å; F92-F129 AromaticContact CD2-CD1 3.85Å; F92-F129 HydrophobicContact CD2-CD1 3.85Å; F92-F129 HydrophobicContact CD2-CE1 4Å; F92-F129 HydrophobicContact CD2-CG 4.31Å; F92-F129 HydrophobicContact CE2-CD1 4.05Å; F92-F129 HydrophobicContact CE2-CD2 4.29Å; F92-F129 HydrophobicContact CE2-CE1 4.32Å; F92-F129 HydrophobicContact CE2-CG 4.04Å; Y93-F129 HydrophobicContact CE2-CD1 4.45Å; Y93-F129 HydrophobicContact CE2-CE1 4.38Å; P100-F129 HydrophobicContact CB-CB 4.26Å; P100-F129 HydrophobicContact CG-CB 4.23Å; P100-F129 HydrophobicContact CG-CD1 4.1Å; I124-F129 HydrophobicContact CG2-CD2 3.85Å; I124-F129 HydrophobicContact CG2-CE2 3.66Å; I124-F129 PolarHBondContact O-N 3.12Å; I124-F129 VanDerWaalsContact O-N 3.09Å; M125-F129 HydrophobicContact CE-CD2 4.35Å; M125-F129 CarbonylContact O-C 3.57Å; M125-F129 WeakPolarHBondContact O-CB 3.43Å; M125-F129 HydrophobicContact SD-CD2 4.07Å; F129-V131 HydrophobicContact CB-CG1 4.12Å; F129-V131 PolarHBondContact O-N 3.44Å; F129-V131 VanDerWaalsContact O-N 3.12Å
130N98.3Very high97.8Very high83 Ų8325 Ų2544%0.44413%0.13SC..  trans52.232.5177.9-76.1-37.5000114.8E101 M125 F126 K361E101-N130 WeakPolarHBondContact CA-O 3.46Å; E101-N130 HydrophobicContact CB-CB 4.17Å; M125-N130 PolarHBondContact O-N 3.36Å; F126-N130 WeakPolarHBondContact O-CA 2.98Å; F126-N130 PolarHBondContact O-OD1 3.01Å; F126-N130 VanDerWaalsContact O-OD1 3.13Å; N130-K361 PolarHBondContact OD1-NZ 2.95Å
131V98.4Very high97.8Very high0 Ų022.2 Ų22.20%012%0.119CC..  trans-58.5141.6179.5-56.40000110.8P100 M125 F126 F129 A133 M134P100-V131 HydrophobicContact CB-CG1 4.22Å; M125-V131 HydrophobicContact CB-CG2 3.96Å; M125-V131 PolarHBondContact O-N 3.03Å; M125-V131 VanDerWaalsContact O-N 3.14Å; M125-V131 HydrophobicContact SD-CG1 4.4Å; F126-V131 HydrophobicContact CD1-CG2 3.94Å; F126-V131 WeakPolarHBondContact CD1-O 3.16Å; F126-V131 HydrophobicContact CE1-CG2 4.03Å; F129-V131 HydrophobicContact CB-CG1 4.12Å; F129-V131 PolarHBondContact O-N 3.44Å; F129-V131 VanDerWaalsContact O-N 3.12Å; V131-A133 VanDerWaalsContact C-N 3.3Å; V131-A133 PolarHBondContact O-N 3.46Å; V131-M134 HydrophobicContact CG2-CB 4.12Å
132P97.6Very high97.8Very high49 Ų4922.1 Ų22.132%0.31812%0.119SC..SBendtrans-70.1-32.5-178.627.5-33.9000111.6E101 H103 K361E101-P132 WeakPolarHBondContact O-CD 3.33Å; H103-P132 WeakPolarHBondContact O-CD 3.45Å; P132-K361 PolarHBondContact O-N 3.1Å
133A97.8Very high97.7Very high12 Ų1222.1 Ų22.110%0.09912%0.119CC..EExtended strand (participates in β ladder)trans-156157.4176.300000111.2P104 T105 V131 W358 I359P104-A133 CarbonylContact C-O 3.54Å; P104-A133 VanDerWaalsContact CA-O 3.3Å; P104-A133 WeakPolarHBondContact CA-O 3.3Å; P104-A133 HydrophobicContact CB-CB 4.29Å; T105-A133 PolarHBondContact N-O 2.94Å; V131-A133 VanDerWaalsContact C-N 3.3Å; V131-A133 PolarHBondContact O-N 3.46Å; A133-W358 HydrophobicContact CB-CB 4.1Å; A133-W358 HydrophobicContact CB-CG 4.46Å; A133-I359 CarbonylContact C-O 3.42Å; A133-I359 WeakPolarHBondContact CA-O 3.31Å; A133-I359 WeakPolarHBondContact CB-O 3.46Å
134M98.1Very high97.7Very high0 Ų019.4 Ų19.40%011%0.106CC..EExtended strand (participates in β ladder)trans-149.1163.9174.768.2172-74.600113.5T105 L107 T122 M125 F126 V131 V136 I359T105-M134 WeakPolarHBondContact O-CA 3.47Å; T105-M134 VanDerWaalsContact O-CB 3.28Å; T105-M134 WeakPolarHBondContact O-CB 3.49Å; L107-M134 HydrophobicContact CD1-CE 3.84Å; T122-M134 HydrophobicContact CG2-SD 3.94Å; M125-M134 HydrophobicContact CB-CE 4.36Å; M125-M134 HydrophobicContact CB-SD 3.53Å; M125-M134 VanDerWaalsContact CB-SD 3.53Å; M125-M134 HydrophobicContact CG-CE 4.29Å; M125-M134 HydrophobicContact CG-SD 4.11Å; F126-M134 HydrophobicContact CD2-CG 4.33Å; F126-M134 HydrophobicContact CD2-SD 3.94Å; F126-M134 HydrophobicContact CE1-CG 4.4Å; F126-M134 HydrophobicContact CE2-CG 3.53Å; F126-M134 HydrophobicContact CE2-SD 3.67Å; F126-M134 HydrophobicContact CZ-CB 4.5Å; F126-M134 HydrophobicContact CZ-CG 3.58Å; F126-M134 HydrophobicContact CZ-SD 4.27Å; V131-M134 HydrophobicContact CG2-CB 4.12Å; M134-V136 HydrophobicContact CE-CG2 3.55Å; M134-I359 PolarHBondContact N-O 2.81Å; M134-I359 WeakPolarHBondContact O-CB 3.38Å; M134-I359 PolarHBondContact O-N 2.85Å
135Y98.1Very high97.4Very high20 Ų2022.2 Ų22.28%0.07812%0.117CC..EExtended strand (participates in β ladder)trans-144.5145.2171.9-172.3-93.6000109.7T105 L106 L107 A137 F354 M357 C376T105-Y135 PolarHBondContact O-N 2.81Å; T105-Y135 VanDerWaalsContact O-N 3.09Å; L106-Y135 WeakPolarHBondContact CA-O 3.37Å; L106-Y135 HydrophobicContact CD1-CD1 4.47Å; L107-Y135 PolarHBondContact N-O 2.93Å; Y135-A137 HydrophobicContact CD1-CB 4.06Å; Y135-A137 HydrophobicContact CE1-CB 3.86Å; Y135-F354 HydrophobicContact CD1-CE2 4.08Å; Y135-F354 AromaticContact CD1-CZ 3.54Å; Y135-F354 HydrophobicContact CD1-CZ 3.54Å; Y135-F354 HydrophobicContact CD2-CE2 4.23Å; Y135-F354 AromaticContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CE1-CE2 4.09Å; Y135-F354 HydrophobicContact CE1-CZ 4.04Å; Y135-F354 HydrophobicContact CE2-CE2 4.26Å; Y135-F354 HydrophobicContact CE2-CZ 4.37Å; Y135-F354 HydrophobicContact CG-CE1 4.39Å; Y135-F354 HydrophobicContact CG-CE2 4.14Å; Y135-F354 AromaticContact CG-CZ 3.46Å; Y135-F354 HydrophobicContact CG-CZ 3.46Å; Y135-F354 VanDerWaalsContact CG-CZ 3.46Å; Y135-M357 HydrophobicContact CD2-CB 4.36Å; Y135-M357 WeakPolarHBondContact CD2-O 3.25Å; Y135-M357 HydrophobicContact CE2-CB 4.18Å; Y135-M357 HydrophobicContact CE2-CE 4.29Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.36Å; Y135-C376 HydrophobicContact CE2-CB 4.22Å; Y135-C376 VanDerWaalsContact CE2-SG 3.51Å
136V97.8Very high97.3Very high4 Ų423.4 Ų23.42%0.02413%0.127CC..EExtended strand (participates in β ladder)trans-113.4121.6174.8-176.80000109.1L107 E109 R118 M121 M134 V372 C376L107-V136 CarbonylContact O-C 3.48Å; L107-V136 WeakPolarHBondContact O-CA 3.43Å; E109-V136 HydrophobicContact CB-CG1 4.06Å; E109-V136 HydrophobicContact CG-CG1 3.61Å; R118-V136 HydrophobicContact CG-CB 4.43Å; R118-V136 HydrophobicContact CG-CG1 4.24Å; R118-V136 HydrophobicContact CG-CG2 4.4Å; M121-V136 HydrophobicContact SD-CG1 4.49Å; M121-V136 HydrophobicContact SD-CG2 4.15Å; M134-V136 HydrophobicContact CE-CG2 3.55Å; V136-V372 HydrophobicContact CB-CG2 4.34Å; V136-V372 HydrophobicContact CG2-CG2 4.03Å; V136-C376 HydrophobicContact CB-CB 4.46Å; V136-C376 PolarHBondContact N-SG 3.05Å; V136-C376 VanDerWaalsContact N-SG 3.38Å; V136-C376 VanDerWaalsContact O-CB 3.29Å; V136-C376 WeakPolarHBondContact O-CB 3.38Å
137A96.6Very high97.1Very high5 Ų524.5 Ų24.54%0.04113%0.134CC..EExtended strand (participates in β ladder)trans-115.5145.5-178.400000112.1L106 L107 T108 E109 Y135 L142L106-A137 HydrophobicContact CD2-CB 4.23Å; L107-A137 PolarHBondContact O-N 2.83Å; T108-A137 VanDerWaalsContact CA-O 3.3Å; T108-A137 WeakPolarHBondContact CA-O 3.3Å; E109-A137 PolarHBondContact N-O 3.46Å; Y135-A137 HydrophobicContact CD1-CB 4.06Å; Y135-A137 HydrophobicContact CE1-CB 3.86Å; A137-L142 HydrophobicContact CB-CD1 3.77Å; A137-L142 HydrophobicContact CB-CD2 3.77Å; A137-L142 HydrophobicContact CB-CG 3.83Å
138I95.6Very high96.9Very high16 Ų1623 Ų238%0.08215%0.146CC..EExtended strand (participates in β ladder)trans-74.9128.5174.1-59.7174.4000109.4P111 A140 V141 L142 A172 F377P111-I138 HydrophobicContact CB-CG2 4.44Å; P111-I138 HydrophobicContact CG-CG2 4.05Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 HydrophobicContact CG2-CB 4.47Å; I138-A140 PolarHBondContact O-N 2.92Å; I138-V141 HydrophobicContact CB-CB 4.37Å; I138-V141 HydrophobicContact CB-CG2 3.98Å; I138-V141 HydrophobicContact CG2-CG2 4.29Å; I138-V141 PolarHBondContact O-N 2.74Å; I138-L142 PolarHBondContact O-N 2.69Å; I138-A172 HydrophobicContact CD1-CB 4.33Å; I138-F377 WeakPolarHBondContact CD1-OXT 3.26Å
139Q96.8Very high96.8Very high19 Ų1922.8 Ų22.89%0.08914%0.138CC..Hα-helixtrans-52.7-44-175.7-70.6167.6-16.100113.9N14 T108 E109 L142 S143 V341N14-Q139 PolarHBondContact O-NE2 3.16Å; T108-Q139 PolarHBondContact OG1-NE2 2.93Å; E109-Q139 VanDerWaalsContact O-CG 3.29Å; E109-Q139 WeakPolarHBondContact O-CG 3.39Å; E109-Q139 PolarHBondContact O-N 2.8Å; E109-Q139 VanDerWaalsContact O-N 3.15Å; Q139-L142 PolarHBondContact O-N 3.08Å; Q139-S143 PolarHBondContact O-N 3.15Å; Q139-S143 PolarHBondContact O-OG 2.87Å; Q139-V341 HydrophobicContact CB-CG1 3.92Å; Q139-V341 HydrophobicContact CB-CG2 4Å; Q139-V341 HydrophobicContact CG-CG1 3.84Å
140A96.6Very high96.6Very high0 Ų026.2 Ų26.20%016%0.16CC..Hα-helixtrans-66.4-37.5179.400000113I138 S143 L144 V154 V165 I167I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 HydrophobicContact CG2-CB 4.47Å; I138-A140 PolarHBondContact O-N 2.92Å; A140-S143 PolarHBondContact O-N 3.39Å; A140-L144 PolarHBondContact O-N 2.88Å; A140-V154 HydrophobicContact CB-CB 4.02Å; A140-V154 HydrophobicContact CB-CG1 4.12Å; A140-V154 WeakPolarHBondContact O-CG2 3.26Å; A140-V165 HydrophobicContact CB-CB 3.52Å; A140-V165 HydrophobicContact CB-CG1 3.93Å; A140-V165 HydrophobicContact CB-CG2 3.52Å; A140-I167 HydrophobicContact CB-CD1 4.49Å
141V96.6Very high96.6Very high14 Ų1423.3 Ų23.39%0.08515%0.145CC..Hα-helixtrans-63.4-45.3177.9176.30000110.1I138 S143 L144 Y145 I167 A172I138-V141 HydrophobicContact CB-CB 4.37Å; I138-V141 HydrophobicContact CB-CG2 3.98Å; I138-V141 HydrophobicContact CG2-CG2 4.29Å; I138-V141 PolarHBondContact O-N 2.74Å; V141-S143 VanDerWaalsContact C-N 3.35Å; V141-S143 PolarHBondContact O-N 2.98Å; V141-L144 PolarHBondContact O-N 3.04Å; V141-Y145 HydrophobicContact CG1-CD2 4.12Å; V141-Y145 HydrophobicContact CG1-CE1 4.43Å; V141-Y145 HydrophobicContact CG1-CE2 3.56Å; V141-Y145 PolarHBondContact O-N 3.37Å; V141-Y145 VanDerWaalsContact O-N 3.08Å; V141-I167 HydrophobicContact CB-CD1 4.45Å; V141-I167 HydrophobicContact CG2-CD1 4.02Å; V141-I167 HydrophobicContact CG2-CG1 4.26Å; V141-A172 HydrophobicContact CG2-CB 4.1Å
142L97.5Very high96.6Very high0 Ų023.3 Ų23.30%015%0.145CC..Hα-helixtrans-61.2-43.1174.8-61-177.2000112L106 T108 A137 I138 Q139 L144 Y145 A146 V341 G344 L348L106-L142 HydrophobicContact CD2-CD1 4.15Å; T108-L142 HydrophobicContact CG2-CD1 3.66Å; A137-L142 HydrophobicContact CB-CD1 3.77Å; A137-L142 HydrophobicContact CB-CD2 3.77Å; A137-L142 HydrophobicContact CB-CG 3.83Å; I138-L142 PolarHBondContact O-N 2.69Å; Q139-L142 PolarHBondContact O-N 3.08Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 PolarHBondContact O-N 2.78Å; L142-Y145 PolarHBondContact O-N 3Å; L142-A146 PolarHBondContact O-N 3.07Å; L142-V341 WeakPolarHBondContact CB-O 3.39Å; L142-V341 HydrophobicContact CD1-CG1 4.24Å; L142-V341 WeakPolarHBondContact CD1-O 3.32Å; L142-G344 WeakPolarHBondContact O-CA 3.09Å; L142-L348 HydrophobicContact CD2-CB 4.33Å; L142-L348 HydrophobicContact CD2-CD2 3.64Å
143S97.5Very high96.7Very high0 Ų021 Ų210%013%0.13CC..Hα-helixtrans-60.3-37.7177.8-61.80000112.7Q139 A140 V141 S147 S302 V341Q139-S143 PolarHBondContact O-N 3.15Å; Q139-S143 PolarHBondContact O-OG 2.87Å; A140-S143 PolarHBondContact O-N 3.39Å; V141-S143 VanDerWaalsContact C-N 3.35Å; V141-S143 PolarHBondContact O-N 2.98Å; S143-S147 PolarHBondContact O-N 3.14Å; S143-S302 WeakPolarHBondContact CB-OG 3.38Å; S143-S302 WeakPolarHBondContact OG-CB 3.35Å; S143-S302 PolarHBondContact OG-OG 2.75Å; S143-V341 WeakPolarHBondContact OG-CG2 3.49Å; S143-V341 PolarHBondContact OG-N 2.97Å
144L97.1Very high96.7Very high0 Ų020.4 Ų20.40%013%0.125CC..Hα-helixtrans-67.5-43.9176.1-169.867.5000111.3A140 V141 L142 A146 S147 R149 V154 I167 V300A140-L144 PolarHBondContact O-N 2.88Å; V141-L144 PolarHBondContact O-N 3.04Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 PolarHBondContact O-N 2.78Å; L144-A146 VanDerWaalsContact C-N 3.35Å; L144-A146 PolarHBondContact O-N 2.85Å; L144-S147 WeakPolarHBondContact O-CA 3.36Å; L144-S147 WeakPolarHBondContact O-CB 3.4Å; L144-S147 PolarHBondContact O-N 2.97Å; L144-S147 PolarHBondContact O-OG 2.76Å; L144-R149 CarbonylContact C-O 3.52Å; L144-R149 HydrophobicContact CD1-CB 3.8Å; L144-R149 HydrophobicContact CG-CB 3.96Å; L144-R149 WeakPolarHBondContact CG-O 3.19Å; L144-R149 PolarHBondContact O-N 2.7Å; L144-V154 HydrophobicContact CB-CG2 3.86Å; L144-V154 HydrophobicContact CD1-CG2 4.14Å; L144-I167 HydrophobicContact CB-CD1 3.94Å; L144-I167 HydrophobicContact CD2-CB 3.69Å; L144-I167 HydrophobicContact CD2-CD1 3.76Å; L144-I167 HydrophobicContact CD2-CG1 4.35Å; L144-I167 HydrophobicContact CD2-CG2 3.66Å; L144-I167 HydrophobicContact CG-CD1 4.46Å; L144-V300 HydrophobicContact CD1-CB 4.44Å; L144-V300 HydrophobicContact CD1-CG2 3.77Å
145Y93.9Very high96.7Very high66 Ų6620.7 Ų20.726%0.25913%0.126SC..Hα-helixtrans-61.2-40.4176.2-68.5-21.4000112.7V141 L142 S147 G148 R149 T150 G170 L348V141-Y145 HydrophobicContact CG1-CD2 4.12Å; V141-Y145 HydrophobicContact CG1-CE1 4.43Å; V141-Y145 HydrophobicContact CG1-CE2 3.56Å; V141-Y145 PolarHBondContact O-N 3.37Å; V141-Y145 VanDerWaalsContact O-N 3.08Å; L142-Y145 PolarHBondContact O-N 3Å; Y145-S147 PolarHBondContact O-N 3.45Å; Y145-S147 VanDerWaalsContact O-N 3.13Å; Y145-G148 PolarHBondContact O-N 2.96Å; Y145-R149 WeakPolarHBondContact CD1-O 3.48Å; Y145-T150 HydrophobicContact CE1-CG2 4.35Å; Y145-G170 WeakPolarHBondContact OH-CA 3.2Å; Y145-G170 PolarHBondContact OH-O 2.92Å; Y145-L348 HydrophobicContact CE2-CD1 4.43Å
146A95.9Very high96.7Very high25 Ų2520.2 Ų20.221%0.20713%0.125CC..Hα-helixtrans-58-27.517400000112.7L142 L144 G148 S340 I343L142-A146 PolarHBondContact O-N 3.07Å; L144-A146 VanDerWaalsContact C-N 3.35Å; L144-A146 PolarHBondContact O-N 2.85Å; A146-G148 VanDerWaalsContact C-N 3.31Å; A146-S340 VanDerWaalsContact CB-O 3.3Å; A146-S340 WeakPolarHBondContact CB-O 3.44Å; A146-I343 HydrophobicContact CB-CB 4.27Å; A146-I343 HydrophobicContact CB-CG2 4.06Å
147S94.3Very high96.8Very high23 Ų2320.2 Ų20.216%0.16113%0.125CC..THydrogen-bonded Turntrans-84.5-0.6175.986.30000114.2S143 L144 Y145 R149S143-S147 PolarHBondContact O-N 3.14Å; L144-S147 WeakPolarHBondContact O-CA 3.36Å; L144-S147 WeakPolarHBondContact O-CB 3.4Å; L144-S147 PolarHBondContact O-N 2.97Å; L144-S147 PolarHBondContact O-OG 2.76Å; Y145-S147 PolarHBondContact O-N 3.45Å; Y145-S147 VanDerWaalsContact O-N 3.13Å; S147-R149 PolarHBondContact O-NH1 3.4Å; S147-R149 PolarHBondContact OG-NH1 3Å
148G94.4Very high96.8Very high71 Ų7121 Ų2173%0.73213%0.133SC*.THydrogen-bonded Turntrans7333.2-176.800000113.7Y145 A146Y145-G148 PolarHBondContact O-N 2.96Å; A146-G148 VanDerWaalsContact C-N 3.31Å
149R95.8Very high96.8Very high64 Ų6421.9 Ų21.924%0.24214%0.139CC..  trans-128.4151.8-178.3-69174.5-17966.918.6111.4L144 Y145 S147 N298L144-R149 CarbonylContact C-O 3.52Å; L144-R149 HydrophobicContact CD1-CB 3.8Å; L144-R149 HydrophobicContact CG-CB 3.96Å; L144-R149 WeakPolarHBondContact CG-O 3.19Å; L144-R149 PolarHBondContact O-N 2.7Å; Y145-R149 WeakPolarHBondContact CD1-O 3.48Å; S147-R149 PolarHBondContact O-NH1 3.4Å; S147-R149 PolarHBondContact OG-NH1 3Å; R149-N298 VanDerWaalsContact CD-OD1 3.28Å; R149-N298 WeakPolarHBondContact CD-OD1 3.18Å; R149-N298 PolarHBondContact NE-OD1 2.86Å
150T94.6Very high96.7Very high80 Ų8021 Ų2149%0.49113%0.134SC..SBendtrans-114.5-17.4174.453.20000112.7Y145 E169 G170Y145-T150 HydrophobicContact CE1-CG2 4.35Å; T150-E169 PolarHBondContact O-N 3.32Å; T150-G170 PolarHBondContact O-N 2.68Å
151T97.9Very high96.7Very high21 Ų2121.4 Ų21.413%0.12914%0.137CC..SBendtrans-126.9133.6176.5-61.90000110I167 Y168 E169 D294T151-I167 WeakPolarHBondContact CA-O 3.32Å; T151-Y168 HydrophobicContact CG2-CD2 3.6Å; T151-Y168 HydrophobicContact CG2-CE2 4.13Å; T151-E169 PolarHBondContact OG1-N 3.27Å; T151-D294 HydrophobicContact CG2-CB 3.8Å
152G98.4Very high96.8Very high0 Ų020.7 Ų20.70%013%0.133CC..EExtended strand (participates in β ladder)trans162.1179.9179.900000111.8I167 L295 N298G152-I167 PolarHBondContact N-O 3.38Å; G152-I167 PolarHBondContact O-N 3.05Å; G152-L295 VanDerWaalsContact C-CD2 3.45Å; G152-L295 WeakPolarHBondContact O-CD2 3.31Å; G152-N298 CarbonylContact C-O 3.15Å; G152-N298 VanDerWaalsContact CA-O 3.31Å; G152-N298 WeakPolarHBondContact CA-O 3.15Å
153I98.8Very high96.8Very high1 Ų120.8 Ų20.81%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-115.8132.8171.6-176169000108.8N164 P166 T280 I284 L295 N298 N299 V300I153-N164 HydrophobicContact CD1-CB 4.26Å; I153-P166 HydrophobicContact CD1-CB 4.48Å; I153-P166 HydrophobicContact CG1-CB 4.4Å; I153-T280 HydrophobicContact CD1-CG2 4.02Å; I153-T280 HydrophobicContact CG2-CG2 4.45Å; I153-I284 HydrophobicContact CD1-CD1 4.37Å; I153-I284 HydrophobicContact CD1-CG1 3.69Å; I153-I284 HydrophobicContact CG2-CD1 4.14Å; I153-I284 HydrophobicContact CG2-CG1 4.32Å; I153-L295 HydrophobicContact CB-CD2 4.49Å; I153-N298 PolarHBondContact N-O 3.5Å; I153-N299 HydrophobicContact CG2-CB 4.2Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.18Å; I153-N299 CarbonylContact O-C 3.59Å; I153-N299 WeakPolarHBondContact O-CA 3.22Å; I153-V300 PolarHBondContact O-N 2.83Å
154V98.8Very high96.8Very high0 Ų020.9 Ų20.90%013%0.133CC..EExtended strand (participates in β ladder)trans-104122.2177.1-179.50000109.1A140 L144 D156 N164 V165 I167 V300A140-V154 HydrophobicContact CB-CB 4.02Å; A140-V154 HydrophobicContact CB-CG1 4.12Å; A140-V154 WeakPolarHBondContact O-CG2 3.26Å; L144-V154 HydrophobicContact CB-CG2 3.86Å; L144-V154 HydrophobicContact CD1-CG2 4.14Å; V154-D156 HydrophobicContact CG1-CB 4.18Å; V154-N164 WeakPolarHBondContact O-CA 3.46Å; V154-V165 PolarHBondContact N-O 2.87Å; V154-V165 PolarHBondContact O-N 2.92Å; V154-I167 HydrophobicContact CG2-CD1 4Å; V154-V300 CarbonylContact C-O 3.57Å; V154-V300 VanDerWaalsContact CA-O 3.31Å; V154-V300 WeakPolarHBondContact CA-O 3.44Å; V154-V300 HydrophobicContact CG2-CB 4.29Å
155L98.7Very high96.9Very high5 Ų520.9 Ų20.93%0.02613%0.133CC..EExtended strand (participates in β ladder)trans-92.699.8162.9173.161.8000107.3T162 H163 N164 I276 V300 L301 S302 M315L155-T162 HydrophobicContact CD1-CG2 3.58Å; L155-H163 WeakPolarHBondContact CA-O 3.43Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.47Å; L155-I276 HydrophobicContact CD1-CB 4.3Å; L155-I276 HydrophobicContact CD1-CG2 4.44Å; L155-I276 HydrophobicContact CD2-CB 4.14Å; L155-I276 HydrophobicContact CD2-CD1 4.1Å; L155-V300 PolarHBondContact N-O 3.03Å; L155-L301 HydrophobicContact CB-CD2 3.9Å; L155-L301 HydrophobicContact CD2-CD2 3.85Å; L155-L301 HydrophobicContact CG-CD2 4.24Å; L155-S302 PolarHBondContact O-N 2.8Å; L155-M315 HydrophobicContact CD2-CE 3.75Å; L155-M315 HydrophobicContact CD2-SD 4.2Å
156D98.2Very high97.1Very high11 Ų1117.7 Ų17.76%0.05912%0.121CC..EExtended strand (participates in β ladder)trans-100.9117.4177.3-169.8-12.8000109.3V154 T162 H163 S302V154-D156 HydrophobicContact CG1-CB 4.18Å; D156-T162 CarbonylContact O-C 3.59Å; D156-T162 VanDerWaalsContact O-CA 3.24Å; D156-T162 WeakPolarHBondContact O-CA 3.45Å; D156-H163 PolarHBondContact N-O 2.68Å; D156-H163 PolarHBondContact O-N 3.13Å; D156-S302 WeakPolarHBondContact CA-O 3.33Å
157S98.4Very high97.2Very high3 Ų316.5 Ų16.52%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-125.4105.8177.2-167.90000110.7T162 S302 G303 G304 T305S157-T162 WeakPolarHBondContact CB-OG1 3.1Å; S157-T162 PolarHBondContact OG-OG1 3.11Å; S157-S302 PolarHBondContact N-O 2.88Å; S157-G303 CarbonylContact O-C 3.47Å; S157-G303 WeakPolarHBondContact O-CA 3.12Å; S157-G304 PolarHBondContact O-N 3.25Å; S157-T305 WeakPolarHBondContact O-CB 3.39Å; S157-T305 PolarHBondContact O-N 2.85Å; S157-T305 WeakPolarHBondContact OG-CB 3.03Å; S157-T305 WeakPolarHBondContact OG-CG2 3.25Å
158G96.9Very high97.4Very high21 Ų2119 Ų1922%0.21612%0.118CC..  trans-94.4-146.5-178.200000113.3V161 A183 G184 T305G158-V161 PolarHBondContact N-O 2.92Å; G158-A183 WeakPolarHBondContact O-CB 3.25Å; G158-G184 PolarHBondContact O-N 2.9Å; G158-G184 VanDerWaalsContact O-N 3.11Å; G158-T305 WeakPolarHBondContact O-CB 3.49Å; G158-T305 PolarHBondContact O-OG1 3.16Å
159D96.8Very high97.4Very high36 Ų3621.6 Ų21.619%0.19311%0.111CC..SBendtrans-84.4-44.5175.9-174.356.8000112.1G17 A183 G184 R185G17-D159 WeakPolarHBondContact CA-OD2 3.31Å; D159-A183 CarbonylContact O-C 3.57Å; D159-A183 VanDerWaalsContact O-CB 3.25Å; D159-A183 WeakPolarHBondContact O-CB 3.41Å; D159-G184 PolarHBondContact O-N 3.45Å; D159-G184 VanDerWaalsContact O-N 3.11Å; D159-R185 WeakPolarHBondContact O-CB 3.36Å; D159-R185 PolarHBondContact O-N 3.43Å; D159-R185 PolarHBondContact OD1-N 3.14Å; D159-R185 IonicContact OD2-CZ 2.88Å; D159-R185 VanDerWaalsContact OD2-CZ 3.3Å; D159-R185 IonicContact OD2-NE 2.97Å; D159-R185 PolarHBondContact OD2-NE 2.96Å; D159-R185 IonicContact OD2-NH2 2.73Å; D159-R185 PolarHBondContact OD2-NH2 2.99Å
160G94.9Very high97.2Very high0 Ų019.1 Ų19.10%011%0.105CC..SBendtrans-107.1-11.3-175.500000116.4S16 H75 A183S16-G160 PolarHBondContact OG-N 3.14Å; H75-G160 WeakPolarHBondContact CA-O 3.47Å; H75-G160 PolarHBondContact ND1-O 3.09Å; G160-A183 VanDerWaalsContact C-CB 3.49Å
161V96.2Very high97Very high8 Ų822.9 Ų22.95%0.04811%0.111CC..  trans-155150.2-175.165.10000111.9G158 H163 R179G158-V161 PolarHBondContact N-O 2.92Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.24Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.36Å; V161-R179 HydrophobicContact CG2-CG 3.95Å
162T98.1Very high96.9Very high0 Ų022.5 Ų22.50%011%0.111CC..EExtended strand (participates in β ladder)trans-118.3135.1170.8-61.30000110.2L155 D156 S157 L180 L182 I276L155-T162 HydrophobicContact CD1-CG2 3.58Å; D156-T162 CarbonylContact O-C 3.59Å; D156-T162 VanDerWaalsContact O-CA 3.24Å; D156-T162 WeakPolarHBondContact O-CA 3.45Å; S157-T162 WeakPolarHBondContact CB-OG1 3.1Å; S157-T162 PolarHBondContact OG-OG1 3.11Å; T162-L180 PolarHBondContact N-O 3.01Å; T162-L180 PolarHBondContact O-N 3.26Å; T162-L182 WeakPolarHBondContact CB-O 3.41Å; T162-L182 PolarHBondContact OG1-O 3.31Å; T162-I276 HydrophobicContact CG2-CG2 4.02Å
163H97.4Very high96.9Very high2 Ų224 Ų241%0.00912%0.119CC..EExtended strand (participates in β ladder)trans-129.3144.6178-62.8101.3000111.7P111 L155 D156 V161 V165 M178P111-H163 HydrophobicContact CG-CB 4.15Å; L155-H163 WeakPolarHBondContact CA-O 3.43Å; D156-H163 PolarHBondContact N-O 2.68Å; D156-H163 PolarHBondContact O-N 3.13Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.24Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.36Å; H163-V165 HydrophobicContact CB-CG2 4.03Å; H163-M178 CarbonylContact C-O 3.58Å; H163-M178 WeakPolarHBondContact CA-O 3.35Å
164N98.4Very high96.7Very high1 Ų128 Ų281%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-110.3116.5161-66.5-85.5000108.3I153 V154 L155 I177 M178 T279 T280I153-N164 HydrophobicContact CD1-CB 4.26Å; V154-N164 WeakPolarHBondContact O-CA 3.46Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.47Å; N164-I177 WeakPolarHBondContact O-CA 3.37Å; N164-M178 HydrophobicContact CB-CB 4.18Å; N164-M178 PolarHBondContact N-O 3.05Å; N164-M178 PolarHBondContact O-N 3.25Å; N164-T279 WeakPolarHBondContact ND2-CB 3.27Å; N164-T279 PolarHBondContact ND2-OG1 3.06Å; N164-T280 VanDerWaalsContact OD1-CA 3.27Å; N164-T280 WeakPolarHBondContact OD1-CA 3.42Å; N164-T280 WeakPolarHBondContact OD1-CB 3.27Å; N164-T280 PolarHBondContact OD1-OG1 2.96Å
165V98.4Very high96.6Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-121.4104-177.1-173.20000108.7P111 A140 V154 H163 I167 A172 I177P111-V165 HydrophobicContact CB-CG2 4.01Å; P111-V165 HydrophobicContact CG-CG2 3.47Å; P111-V165 VanDerWaalsContact CG-CG2 3.47Å; A140-V165 HydrophobicContact CB-CB 3.52Å; A140-V165 HydrophobicContact CB-CG1 3.93Å; A140-V165 HydrophobicContact CB-CG2 3.52Å; V154-V165 PolarHBondContact N-O 2.87Å; V154-V165 PolarHBondContact O-N 2.92Å; H163-V165 HydrophobicContact CB-CG2 4.03Å; V165-I167 HydrophobicContact CG1-CD1 4.41Å; V165-I167 HydrophobicContact CG1-CG1 4.03Å; V165-A172 HydrophobicContact CG1-CB 3.86Å; V165-I177 HydrophobicContact CG1-CD1 4.25Å; V165-I177 HydrophobicContact CG1-CG1 4.17Å; V165-I177 HydrophobicContact CG2-CG2 4.35Å
166P98.5Very high96.5Very high0 Ų033.2 Ų33.20%017%0.168CC..EExtended strand (participates in β ladder)trans-76.6133.1171.528-25.3000109.2I153 L173 A176 S283 L295I153-P166 HydrophobicContact CD1-CB 4.48Å; I153-P166 HydrophobicContact CG1-CB 4.4Å; P166-L173 HydrophobicContact CB-CD1 4.32Å; P166-L173 HydrophobicContact CG-CB 4.22Å; P166-L173 PolarHBondContact O-N 3.01Å; P166-A176 HydrophobicContact CG-CB 3.48Å; P166-A176 VanDerWaalsContact CG-CB 3.48Å; P166-S283 WeakPolarHBondContact CD-OG 3.21Å; P166-S283 WeakPolarHBondContact CG-OG 3.34Å; P166-L295 HydrophobicContact CB-CD1 4.06Å; P166-L295 HydrophobicContact CB-CD2 4.23Å
167I98.4Very high96.5Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-129.1132.9-175.3-60.4157.6000107.4A140 V141 L144 T151 G152 V154 V165 Y171 A172A140-I167 HydrophobicContact CB-CD1 4.49Å; V141-I167 HydrophobicContact CB-CD1 4.45Å; V141-I167 HydrophobicContact CG2-CD1 4.02Å; V141-I167 HydrophobicContact CG2-CG1 4.26Å; L144-I167 HydrophobicContact CB-CD1 3.94Å; L144-I167 HydrophobicContact CD2-CB 3.69Å; L144-I167 HydrophobicContact CD2-CD1 3.76Å; L144-I167 HydrophobicContact CD2-CG1 4.35Å; L144-I167 HydrophobicContact CD2-CG2 3.66Å; L144-I167 HydrophobicContact CG-CD1 4.46Å; T151-I167 WeakPolarHBondContact CA-O 3.32Å; G152-I167 PolarHBondContact N-O 3.38Å; G152-I167 PolarHBondContact O-N 3.05Å; V154-I167 HydrophobicContact CG2-CD1 4Å; V165-I167 HydrophobicContact CG1-CD1 4.41Å; V165-I167 HydrophobicContact CG1-CG1 4.03Å; I167-Y171 CarbonylContact C-O 3.57Å; I167-Y171 VanDerWaalsContact CA-O 3.3Å; I167-Y171 WeakPolarHBondContact CA-O 3.47Å; I167-A172 HydrophobicContact CG1-CB 4.36Å
168Y97.4Very high96.5Very high76 Ų7635 Ų3530%0.29818%0.177SC..EExtended strand (participates in β ladder)trans-129.6122.7177.7-173.2-95.8000109.4T151 G170 Y171 I291T151-Y168 HydrophobicContact CG2-CD2 3.6Å; T151-Y168 HydrophobicContact CG2-CE2 4.13Å; Y168-G170 PolarHBondContact O-N 2.88Å; Y168-G170 VanDerWaalsContact O-N 3.15Å; Y168-Y171 PolarHBondContact N-O 3.22Å; Y168-Y171 PolarHBondContact O-N 2.65Å; Y168-I291 HydrophobicContact CD2-CB 3.87Å; Y168-I291 HydrophobicContact CD2-CD1 4.31Å; Y168-I291 HydrophobicContact CD2-CG2 3.55Å; Y168-I291 HydrophobicContact CE2-CB 3.99Å; Y168-I291 HydrophobicContact CE2-CG2 3.34Å; Y168-I291 HydrophobicContact CG-CD1 4.49Å; Y168-I291 HydrophobicContact CG-CG2 4.27Å
169E94.8Very high96.5Very high124 Ų12438.5 Ų38.558%0.57918%0.183SC*.THydrogen-bonded Turntrans50.738.3-179.3-64.1-176.2166.100113.8T150 T151 Y171T150-E169 PolarHBondContact O-N 3.32Å; T151-E169 PolarHBondContact OG1-N 3.27Å; E169-Y171 WeakPolarHBondContact O-CD2 3.45Å
170G90.6Very high96.4Very high12 Ų1237.2 Ų37.212%0.12418%0.177CC..THydrogen-bonded Turntrans88.5-6.3179.200000115.3Y145 T150 Y168Y145-G170 WeakPolarHBondContact OH-CA 3.2Å; Y145-G170 PolarHBondContact OH-O 2.92Å; T150-G170 PolarHBondContact O-N 2.68Å; Y168-G170 PolarHBondContact O-N 2.88Å; Y168-G170 VanDerWaalsContact O-N 3.15Å
171Y92.1Very high96.4Very high159 Ų15940.3 Ų40.362%0.62419%0.193SC*.EExtended strand (participates in β ladder)trans-103.2124.6179.8-61.5-85.9000111.5I167 Y168 E169I167-Y171 CarbonylContact C-O 3.57Å; I167-Y171 VanDerWaalsContact CA-O 3.3Å; I167-Y171 WeakPolarHBondContact CA-O 3.47Å; Y168-Y171 PolarHBondContact N-O 3.22Å; Y168-Y171 PolarHBondContact O-N 2.65Å; E169-Y171 WeakPolarHBondContact O-CD2 3.45Å
172A95.9Very high96.4Very high14 Ų1440 Ų4012%0.11619%0.191CC..EExtended strand (participates in β ladder)trans-66.8138.417000000110.1I138 V141 V165 I167 P174I138-A172 HydrophobicContact CD1-CB 4.33Å; V141-A172 HydrophobicContact CG2-CB 4.1Å; V165-A172 HydrophobicContact CG1-CB 3.86Å; I167-A172 HydrophobicContact CG1-CB 4.36Å; A172-P174 WeakPolarHBondContact O-CD 3.37Å
173L96.7Very high96.4Very high32 Ų3240 Ų4017%0.16819%0.191CC..  trans-95.496.6-179.2-57.8176.4000110.2P166 H175 A176 I177 I291P166-L173 HydrophobicContact CB-CD1 4.32Å; P166-L173 HydrophobicContact CG-CB 4.22Å; P166-L173 PolarHBondContact O-N 3.01Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 2.9Å; L173-A176 HydrophobicContact CB-CB 4.42Å; L173-A176 PolarHBondContact O-N 2.79Å; L173-I177 PolarHBondContact O-N 3.08Å; L173-I291 HydrophobicContact CD1-CD1 3.49Å; L173-I291 VanDerWaalsContact CD1-CD1 3.49Å
174P95Very high96.4Very high84 Ų8439.9 Ų39.955%0.54519%0.191SC..G310 helixtrans-65.8-32.5-163.2-22.836.7000113.9A172 A176 I177A172-P174 WeakPolarHBondContact O-CD 3.37Å; P174-A176 PolarHBondContact O-N 3.22Å; P174-I177 PolarHBondContact O-N 3.42Å
175H96.6Very high96.4Very high114 Ų11441.8 Ų41.853%0.52820%0.198SC..G310 helixtrans-68-20.2179.662.3-88.3000113.4L173L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 2.9Å
176A98Very high96.3Very high0 Ų043.7 Ų43.70%021%0.208CC..G310 helixtrans-106.91.5-177.600000113.2P166 L173 P174 M178 S283 K286 C287P166-A176 HydrophobicContact CG-CB 3.48Å; P166-A176 VanDerWaalsContact CG-CB 3.48Å; L173-A176 HydrophobicContact CB-CB 4.42Å; L173-A176 PolarHBondContact O-N 2.79Å; P174-A176 PolarHBondContact O-N 3.22Å; A176-M178 PolarHBondContact O-N 3.45Å; A176-S283 WeakPolarHBondContact O-CB 3.48Å; A176-S283 PolarHBondContact O-OG 3.22Å; A176-K286 HydrophobicContact CB-CB 3.76Å; A176-C287 WeakPolarHBondContact CB-SG 3.21Å
177I98.1Very high96.3Very high16 Ų1643.7 Ų43.78%0.08221%0.208CC..  trans-66.7130.3174.1-62.6175.2000109.4P111 L112 N164 V165 L173 P174P111-I177 HydrophobicContact CB-CD1 4.15Å; P111-I177 HydrophobicContact CB-CG2 4.06Å; L112-I177 HydrophobicContact CD1-CB 4.21Å; L112-I177 HydrophobicContact CD1-CG2 3.92Å; L112-I177 HydrophobicContact CD2-CD1 4.11Å; L112-I177 HydrophobicContact CG-CB 4.45Å; L112-I177 HydrophobicContact CG-CD1 4.22Å; L112-I177 HydrophobicContact CG-CG2 4.16Å; N164-I177 WeakPolarHBondContact O-CA 3.37Å; V165-I177 HydrophobicContact CG1-CD1 4.25Å; V165-I177 HydrophobicContact CG1-CG1 4.17Å; V165-I177 HydrophobicContact CG2-CG2 4.35Å; L173-I177 PolarHBondContact O-N 3.08Å; P174-I177 PolarHBondContact O-N 3.42Å
178M97.8Very high96.3Very high37 Ų3743.7 Ų43.718%0.18221%0.208CC..EExtended strand (participates in β ladder)trans-112.5130.4171.7-59.2-72.4-70.200108.7H163 N164 A176 T279 N282 K286H163-M178 CarbonylContact C-O 3.58Å; H163-M178 WeakPolarHBondContact CA-O 3.35Å; N164-M178 HydrophobicContact CB-CB 4.18Å; N164-M178 PolarHBondContact N-O 3.05Å; N164-M178 PolarHBondContact O-N 3.25Å; A176-M178 PolarHBondContact O-N 3.45Å; M178-T279 HydrophobicContact CE-CG2 4.39Å; M178-N282 HydrophobicContact CE-CB 4.25Å; M178-K286 HydrophobicContact SD-CD 4.15Å; M178-K286 PolarHBondContact SD-NZ 3.01Å
179R95.6Very high96.3Very high93 Ų9343.2 Ų43.235%0.35121%0.211SC..EExtended strand (participates in β ladder)trans-113.4137.5175.6175.1173.9167156.90109.4H75 V161 D181H75-R179 PolarHBondContact O-NH2 2.92Å; V161-R179 HydrophobicContact CG2-CG 3.95Å; R179-D181 IonicContact CZ-OD1 3.17Å; R179-D181 VanDerWaalsContact CZ-OD1 3.3Å; R179-D181 IonicContact NE-OD1 2.73Å; R179-D181 PolarHBondContact NE-OD1 3.01Å; R179-D181 IonicContact NE-OD2 3.37Å; R179-D181 IonicContact NH2-OD1 3.45Å; R179-D181 PolarHBondContact NH2-OD1 3.28Å; R179-D181 IonicContact NH2-OD2 3.13Å
180L95.9Very high96.4Very high9 Ų938.1 Ų38.15%0.04719%0.186CC..EExtended strand (participates in β ladder)trans-132.2115.8175.7177.867.5000108.2T162 L182 M271 S273 I276T162-L180 PolarHBondContact N-O 3.01Å; T162-L180 PolarHBondContact O-N 3.26Å; L180-L182 HydrophobicContact CD1-CB 4.29Å; L180-L182 HydrophobicContact CD2-CB 4.03Å; L180-L182 HydrophobicContact CD2-CD2 4.36Å; L180-L182 HydrophobicContact CG-CB 3.83Å; L180-L182 PolarHBondContact O-N 2.92Å; L180-M271 HydrophobicContact CD1-CE 4.35Å; L180-S273 WeakPolarHBondContact CD1-OG 3.14Å; L180-I276 HydrophobicContact CD2-CG2 4.27Å
181D94.9Very high96.8Very high66 Ų6637.5 Ų37.535%0.35318%0.18SC..SBendtrans-80.554.7175.9-65.8-27.1000110.4R179R179-D181 IonicContact CZ-OD1 3.17Å; R179-D181 VanDerWaalsContact CZ-OD1 3.3Å; R179-D181 IonicContact NE-OD1 2.73Å; R179-D181 PolarHBondContact NE-OD1 3.01Å; R179-D181 IonicContact NE-OD2 3.37Å; R179-D181 IonicContact NH2-OD1 3.45Å; R179-D181 PolarHBondContact NH2-OD1 3.28Å; R179-D181 IonicContact NH2-OD2 3.13Å
182L96.8Very high97.1Very high0 Ų032.1 Ų32.10%016%0.161CC..  trans-138119.4172.8167.456.2000107.8T162 L180 D186 L187 T262 L263 P266 I269 M271T162-L182 WeakPolarHBondContact CB-O 3.41Å; T162-L182 PolarHBondContact OG1-O 3.31Å; L180-L182 HydrophobicContact CD1-CB 4.29Å; L180-L182 HydrophobicContact CD2-CB 4.03Å; L180-L182 HydrophobicContact CD2-CD2 4.36Å; L180-L182 HydrophobicContact CG-CB 3.83Å; L180-L182 PolarHBondContact O-N 2.92Å; L182-D186 HydrophobicContact CD1-CB 3.61Å; L182-L187 HydrophobicContact CD1-CD2 4.37Å; L182-T262 WeakPolarHBondContact CD2-O 3.46Å; L182-L263 HydrophobicContact CG-CD2 4.48Å; L182-P266 HydrophobicContact CD2-CB 3.93Å; L182-P266 HydrophobicContact CD2-CG 3.91Å; L182-I269 HydrophobicContact CD1-CD1 3.46Å; L182-I269 VanDerWaalsContact CD1-CD1 3.46Å; L182-I269 HydrophobicContact CD2-CD1 4.25Å; L182-I269 HydrophobicContact CG-CD1 4.39Å; L182-M271 HydrophobicContact CB-CE 4.2Å; L182-M271 HydrophobicContact CB-SD 4.06Å; L182-M271 HydrophobicContact CD2-SD 4.44Å
183A97.6Very high97.1Very high0 Ų036.9 Ų36.90%018%0.18CC..  trans-156.8-164.8-176.200000112.3G158 D159 G160 R185 D186 L187G158-A183 WeakPolarHBondContact O-CB 3.25Å; D159-A183 CarbonylContact O-C 3.57Å; D159-A183 VanDerWaalsContact O-CB 3.25Å; D159-A183 WeakPolarHBondContact O-CB 3.41Å; G160-A183 VanDerWaalsContact C-CB 3.49Å; A183-R185 PolarHBondContact O-N 3.23Å; A183-D186 PolarHBondContact N-OD2 3.14Å; A183-D186 PolarHBondContact O-N 2.93Å; A183-D186 VanDerWaalsContact O-N 3.13Å; A183-L187 WeakPolarHBondContact O-CG 3.31Å; A183-L187 PolarHBondContact O-N 3.26Å; A183-L187 VanDerWaalsContact O-N 3.11Å
184G97.9Very high97.1Very high1 Ų135.4 Ų35.41%0.0117%0.172CC..Hα-helixtrans-56.5-28-17000000115.6G158 D159 T188 K215 T305G158-G184 PolarHBondContact O-N 2.9Å; G158-G184 VanDerWaalsContact O-N 3.11Å; D159-G184 PolarHBondContact O-N 3.45Å; D159-G184 VanDerWaalsContact O-N 3.11Å; G184-T188 PolarHBondContact O-N 2.79Å; G184-T188 VanDerWaalsContact O-N 3.16Å; G184-T188 PolarHBondContact O-OG1 3.28Å; G184-K215 PolarHBondContact O-NZ 2.93Å; G184-T305 WeakPolarHBondContact CA-OG1 3.4Å; G184-T305 PolarHBondContact N-OG1 3.38Å; G184-T305 VanDerWaalsContact N-OG1 3.14Å
185R96.4Very high97.3Very high41 Ų4131.4 Ų31.416%0.15515%0.146CC..Hα-helixtrans-68.7-51177.3-170.1175.1-62.7170.30.5110.7S16 D159 A183 L187 T188 D189 R208S16-R185 PolarHBondContact O-NH2 2.91Å; D159-R185 WeakPolarHBondContact O-CB 3.36Å; D159-R185 PolarHBondContact O-N 3.43Å; D159-R185 PolarHBondContact OD1-N 3.14Å; D159-R185 IonicContact OD2-CZ 2.88Å; D159-R185 VanDerWaalsContact OD2-CZ 3.3Å; D159-R185 IonicContact OD2-NE 2.97Å; D159-R185 PolarHBondContact OD2-NE 2.96Å; D159-R185 IonicContact OD2-NH2 2.73Å; D159-R185 PolarHBondContact OD2-NH2 2.99Å; A183-R185 PolarHBondContact O-N 3.23Å; R185-L187 VanDerWaalsContact C-N 3.28Å; R185-L187 PolarHBondContact O-N 3.49Å; R185-T188 VanDerWaalsContact O-CB 3.31Å; R185-T188 WeakPolarHBondContact O-CB 3.32Å; R185-T188 PolarHBondContact O-N 3.06Å; R185-D189 PolarHBondContact O-N 2.9Å; R185-D189 VanDerWaalsContact O-N 3.1Å; R185-R208 PolarHBondContact O-NH2 2.98Å; R185-R208 VanDerWaalsContact O-NH2 3.14Å
186D97.6Very high97.2Very high40 Ų4029.2 Ų29.221%0.21414%0.14CC..Hα-helixtrans-61.9-38.4178-45.9-76.9000111L182 A183 T188 D189 Y190L182-D186 HydrophobicContact CD1-CB 3.61Å; A183-D186 PolarHBondContact N-OD2 3.14Å; A183-D186 PolarHBondContact O-N 2.93Å; A183-D186 VanDerWaalsContact O-N 3.13Å; D186-T188 VanDerWaalsContact C-N 3.28Å; D186-T188 PolarHBondContact O-N 2.98Å; D186-D189 PolarHBondContact O-N 3.15Å; D186-Y190 WeakPolarHBondContact O-CB 3.48Å; D186-Y190 PolarHBondContact O-N 2.93Å
187L98.4Very high97.1Very high0 Ų034.8 Ų34.80%017%0.166CC..Hα-helixtrans-61-37.9173.9-61.3-170.4000112.4L182 A183 R185 L191 K215 C259 T262 L263 T305 Y308L182-L187 HydrophobicContact CD1-CD2 4.37Å; A183-L187 WeakPolarHBondContact O-CG 3.31Å; A183-L187 PolarHBondContact O-N 3.26Å; A183-L187 VanDerWaalsContact O-N 3.11Å; R185-L187 VanDerWaalsContact C-N 3.28Å; R185-L187 PolarHBondContact O-N 3.49Å; L187-L191 WeakPolarHBondContact O-CB 3.32Å; L187-L191 PolarHBondContact O-N 2.86Å; L187-K215 HydrophobicContact CB-CD 3.98Å; L187-C259 PolarHBondContact O-SG 2.71Å; L187-C259 VanDerWaalsContact O-SG 3.32Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.27Å; L187-L263 HydrophobicContact CD1-CD1 4.18Å; L187-L263 HydrophobicContact CD1-CD2 4.15Å; L187-L263 HydrophobicContact CD1-CG 4.12Å; L187-L263 HydrophobicContact CD2-CD2 4.31Å; L187-L263 HydrophobicContact CD2-CG 4.29Å; L187-T305 HydrophobicContact CD1-CG2 3.56Å; L187-Y308 HydrophobicContact CD1-CE2 3.6Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.33Å
188T98.1Very high96.8Very high0 Ų038.1 Ų38.10%018%0.178CC..Hα-helixtrans-67.3-42.9177.9-51.80000110.5G184 R185 D186 L191 M192 R208 V211 R212 K215G184-T188 PolarHBondContact O-N 2.79Å; G184-T188 VanDerWaalsContact O-N 3.16Å; G184-T188 PolarHBondContact O-OG1 3.28Å; R185-T188 VanDerWaalsContact O-CB 3.31Å; R185-T188 WeakPolarHBondContact O-CB 3.32Å; R185-T188 PolarHBondContact O-N 3.06Å; D186-T188 VanDerWaalsContact C-N 3.28Å; D186-T188 PolarHBondContact O-N 2.98Å; T188-L191 PolarHBondContact O-N 3.4Å; T188-M192 WeakPolarHBondContact O-CB 3.43Å; T188-M192 PolarHBondContact O-N 3.08Å; T188-R208 HydrophobicContact CG2-CG 4.19Å; T188-V211 HydrophobicContact CG2-CB 4.34Å; T188-V211 HydrophobicContact CG2-CG1 4.15Å; T188-R212 HydrophobicContact CG2-CB 3.85Å; T188-K215 PolarHBondContact OG1-NZ 3.45Å
189D96.9Very high96.7Very high66 Ų6639.4 Ų39.435%0.35320%0.2SC..Hα-helixtrans-67.5-39.3178.7-64.9-37.6000111.7R185 D186 M192 K193 R208R185-D189 PolarHBondContact O-N 2.9Å; R185-D189 VanDerWaalsContact O-N 3.1Å; D186-D189 PolarHBondContact O-N 3.15Å; D189-M192 WeakPolarHBondContact O-CB 3.46Å; D189-M192 PolarHBondContact O-N 3.1Å; D189-K193 PolarHBondContact O-N 2.8Å; D189-R208 IonicContact OD1-CZ 2.9Å; D189-R208 VanDerWaalsContact OD1-CZ 3.22Å; D189-R208 IonicContact OD1-NE 3.78Å; D189-R208 PolarHBondContact OD1-NE 3.17Å; D189-R208 IonicContact OD1-NH2 3.63Å; D189-R208 PolarHBondContact OD1-NH2 3.01Å; D189-R208 IonicContact OD2-CZ 3.3Å; D189-R208 IonicContact OD2-NE 2.8Å; D189-R208 IonicContact OD2-NH2 3.94Å; D189-R208 PolarHBondContact OD2-NH2 3.19Å
190Y98.1Very high96.6Very high16 Ų1637.6 Ų37.66%0.06319%0.194CC..Hα-helixtrans-65.6-43.2173.6179.2-116.8000112.3D186 M192 K193 I194 R258 T262 F268 I269D186-Y190 WeakPolarHBondContact O-CB 3.48Å; D186-Y190 PolarHBondContact O-N 2.93Å; Y190-M192 VanDerWaalsContact C-N 3.27Å; Y190-M192 PolarHBondContact O-N 3.44Å; Y190-K193 WeakPolarHBondContact O-CB 3.33Å; Y190-K193 PolarHBondContact O-N 3.3Å; Y190-K193 VanDerWaalsContact O-N 3.15Å; Y190-I194 HydrophobicContact CD1-CD1 4.33Å; Y190-I194 HydrophobicContact CD2-CG2 4.18Å; Y190-I194 HydrophobicContact CE1-CD1 3.97Å; Y190-I194 HydrophobicContact CE1-CG2 4.19Å; Y190-I194 HydrophobicContact CE2-CG2 3.59Å; Y190-I194 PolarHBondContact O-N 3.06Å; Y190-R258 WeakPolarHBondContact CE1-O 3.34Å; Y190-T262 HydrophobicContact CD1-CG2 3.32Å; Y190-T262 HydrophobicContact CE1-CG2 3.35Å; Y190-T262 HydrophobicContact CG-CG2 3.94Å; Y190-F268 HydrophobicContact CE1-CD2 4.49Å; Y190-F268 HydrophobicContact CE2-CB 4.47Å; Y190-I269 HydrophobicContact CD1-CG2 4.47Å; Y190-I269 HydrophobicContact CD2-CG2 3.48Å; Y190-I269 VanDerWaalsContact CD2-CG2 3.48Å; Y190-I269 HydrophobicContact CE2-CG2 4.2Å; Y190-I269 HydrophobicContact CG-CG2 3.63Å
191L98.4Very high96.4Very high0 Ų041.1 Ų41.10%022%0.22CC..Hα-helixtrans-59-42.3174.6-177.159.4000110.9L187 T188 K193 I194 L195 V211 I214 K215 E255 C259L187-L191 WeakPolarHBondContact O-CB 3.32Å; L187-L191 PolarHBondContact O-N 2.86Å; T188-L191 PolarHBondContact O-N 3.4Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 3.13Å; L191-I194 HydrophobicContact CD1-CD1 4.09Å; L191-I194 HydrophobicContact CD1-CG1 4.15Å; L191-I194 WeakPolarHBondContact O-CG1 3.33Å; L191-I194 PolarHBondContact O-N 3.21Å; L191-L195 HydrophobicContact CD1-CD1 4.06Å; L191-L195 HydrophobicContact CD1-CG 4.01Å; L191-L195 HydrophobicContact CD2-CD1 4.47Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.23Å; L191-L195 WeakPolarHBondContact O-CB 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.44Å; L191-L195 PolarHBondContact O-N 3.28Å; L191-V211 HydrophobicContact CB-CG1 3.87Å; L191-V211 HydrophobicContact CD2-CG1 3.79Å; L191-V211 HydrophobicContact CG-CG1 3.75Å; L191-I214 HydrophobicContact CD2-CG2 4.13Å; L191-K215 HydrophobicContact CD2-CB 3.67Å; L191-K215 HydrophobicContact CD2-CG 4.34Å; L191-E255 HydrophobicContact CD1-CB 4.02Å; L191-C259 HydrophobicContact CB-CB 4.29Å; L191-C259 HydrophobicContact CD1-CB 4.03Å
192M97.4Very high96.2Very high45 Ų4538.7 Ų38.722%0.22221%0.206CC..Hα-helixtrans-58.8-42.7176.4-162.5173.99100111.7T188 D189 Y190 T196 F202 R208 V211T188-M192 WeakPolarHBondContact O-CB 3.43Å; T188-M192 PolarHBondContact O-N 3.08Å; D189-M192 WeakPolarHBondContact O-CB 3.46Å; D189-M192 PolarHBondContact O-N 3.1Å; Y190-M192 VanDerWaalsContact C-N 3.27Å; Y190-M192 PolarHBondContact O-N 3.44Å; M192-T196 PolarHBondContact O-N 3.2Å; M192-T196 PolarHBondContact O-OG1 3.36Å; M192-F202 WeakPolarHBondContact CE-O 3.43Å; M192-F202 HydrophobicContact CG-CB 3.82Å; M192-F202 HydrophobicContact SD-CB 4.14Å; M192-R208 HydrophobicContact SD-CB 4.39Å; M192-R208 HydrophobicContact SD-CG 4.42Å; M192-V211 HydrophobicContact CB-CG1 4.13Å; M192-V211 HydrophobicContact CB-CG2 4.41Å; M192-V211 HydrophobicContact CG-CG2 4.18Å
193K96.7Very high95.8Very high115 Ų11544 Ų4450%0.524%0.238SC..Hα-helixtrans-61.5-52.9176.1-178.7-173.8172.4-172.40112D189 Y190 L191 L195 T196 E197D189-K193 PolarHBondContact O-N 2.8Å; Y190-K193 WeakPolarHBondContact O-CB 3.33Å; Y190-K193 PolarHBondContact O-N 3.3Å; Y190-K193 VanDerWaalsContact O-N 3.15Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 3.13Å; K193-L195 VanDerWaalsContact C-N 3.31Å; K193-L195 PolarHBondContact O-N 3.22Å; K193-T196 WeakPolarHBondContact O-CA 2.93Å; K193-T196 VanDerWaalsContact O-CB 3.31Å; K193-T196 WeakPolarHBondContact O-CB 3.47Å; K193-T196 PolarHBondContact O-N 3.49Å; K193-T196 VanDerWaalsContact O-N 3.08Å; K193-E197 WeakPolarHBondContact CE-OE1 3.37Å; K193-E197 PolarHBondContact O-N 2.76Å
194I97.4Very high95.3Very high1 Ų147.3 Ų47.31%0.00526%0.258CS..Hα-helixtrans-71.7-24.6-176.965-178.1000112.9Y190 L191 E197 R198 E255 R258 C259Y190-I194 HydrophobicContact CD1-CD1 4.33Å; Y190-I194 HydrophobicContact CD2-CG2 4.18Å; Y190-I194 HydrophobicContact CE1-CD1 3.97Å; Y190-I194 HydrophobicContact CE1-CG2 4.19Å; Y190-I194 HydrophobicContact CE2-CG2 3.59Å; Y190-I194 PolarHBondContact O-N 3.06Å; L191-I194 HydrophobicContact CD1-CD1 4.09Å; L191-I194 HydrophobicContact CD1-CG1 4.15Å; L191-I194 WeakPolarHBondContact O-CG1 3.33Å; L191-I194 PolarHBondContact O-N 3.21Å; I194-E197 PolarHBondContact O-N 2.98Å; I194-R198 PolarHBondContact O-N 3.3Å; I194-E255 HydrophobicContact CB-CG 4.32Å; I194-E255 HydrophobicContact CD1-CB 3.67Å; I194-E255 HydrophobicContact CD1-CG 3.96Å; I194-E255 HydrophobicContact CG1-CB 3.99Å; I194-E255 HydrophobicContact CG1-CG 3.86Å; I194-R258 HydrophobicContact CD1-CB 4.3Å; I194-C259 HydrophobicContact CD1-CB 4.32Å
195L97.4Very high94.7Very high0 Ų051 Ų510%028%0.281CS..Hα-helixtrans-70.1-35.2168.7-71.4174.8000112L191 K193 E197 R198 G199 Y200 F202 V211 I252 E255L191-L195 HydrophobicContact CD1-CD1 4.06Å; L191-L195 HydrophobicContact CD1-CG 4.01Å; L191-L195 HydrophobicContact CD2-CD1 4.47Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.23Å; L191-L195 WeakPolarHBondContact O-CB 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.44Å; L191-L195 PolarHBondContact O-N 3.28Å; K193-L195 VanDerWaalsContact C-N 3.31Å; K193-L195 PolarHBondContact O-N 3.22Å; L195-E197 VanDerWaalsContact C-N 3.35Å; L195-R198 WeakPolarHBondContact O-CB 3.22Å; L195-R198 PolarHBondContact O-N 3.22Å; L195-G199 PolarHBondContact O-N 3.35Å; L195-Y200 CarbonylContact C-O 3.53Å; L195-Y200 HydrophobicContact CD2-CD2 4.4Å; L195-Y200 PolarHBondContact O-N 3.11Å; L195-F202 HydrophobicContact CB-CD2 4.36Å; L195-F202 HydrophobicContact CB-CE2 4.15Å; L195-F202 HydrophobicContact CD1-CD2 4.39Å; L195-F202 HydrophobicContact CD1-CE2 3.87Å; L195-V211 HydrophobicContact CD1-CG1 4.27Å; L195-V211 HydrophobicContact CD1-CG2 4.41Å; L195-I252 HydrophobicContact CD2-CD1 3.69Å; L195-I252 HydrophobicContact CD2-CG2 4.2Å; L195-E255 HydrophobicContact CD2-CB 4.4Å; L195-E255 HydrophobicContact CD2-CG 4.27Å
196T95.9Very high94.1Very high67 Ų6751.3 Ų51.341%0.41129%0.292SS..Hα-helixtrans-64.7-40172.5-55.40000111.2M192 K193 R198 G199 Y200M192-T196 PolarHBondContact O-N 3.2Å; M192-T196 PolarHBondContact O-OG1 3.36Å; K193-T196 WeakPolarHBondContact O-CA 2.93Å; K193-T196 VanDerWaalsContact O-CB 3.31Å; K193-T196 WeakPolarHBondContact O-CB 3.47Å; K193-T196 PolarHBondContact O-N 3.49Å; K193-T196 VanDerWaalsContact O-N 3.08Å; T196-R198 PolarHBondContact O-N 3.46Å; T196-G199 WeakPolarHBondContact O-CA 3.23Å; T196-G199 PolarHBondContact O-N 3.42Å; T196-Y200 WeakPolarHBondContact CA-O 3.32Å; T196-Y200 PolarHBondContact N-O 3.45Å; T196-Y200 PolarHBondContact OG1-O 3Å
197E94.5Very high93.8Very high117 Ų11752.2 Ų52.255%0.54730%0.295SS..Hα-helixtrans-60.5-32.8173.1-66.6168-170.300112.3K193 I194 L195 G199 R258K193-E197 WeakPolarHBondContact CE-OE1 3.37Å; K193-E197 PolarHBondContact O-N 2.76Å; I194-E197 PolarHBondContact O-N 2.98Å; L195-E197 VanDerWaalsContact C-N 3.35Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 3.36Å; E197-R258 IonicContact OE2-NH2 3.94Å
198R93.1Very high93.6Very high87 Ų8754.2 Ų54.233%0.32830%0.303SS..THydrogen-bonded Turntrans-75.1-14.6173.9-156.5-170.6-178.7852.4113.3I194 L195 T196 E239 T251 E255I194-R198 PolarHBondContact O-N 3.3Å; L195-R198 WeakPolarHBondContact O-CB 3.22Å; L195-R198 PolarHBondContact O-N 3.22Å; T196-R198 PolarHBondContact O-N 3.46Å; R198-E239 IonicContact NH2-OE1 2.79Å; R198-E239 PolarHBondContact NH2-OE1 3.32Å; R198-T251 PolarHBondContact NE-O 3.43Å; R198-E255 WeakPolarHBondContact CD-OE1 3.46Å; R198-E255 IonicContact CZ-OE1 2.9Å; R198-E255 IonicContact CZ-OE2 3.89Å; R198-E255 IonicContact NE-OE1 3.66Å; R198-E255 IonicContact NH1-OE1 3.83Å; R198-E255 PolarHBondContact NH1-OE1 3.33Å; R198-E255 IonicContact NH1-OE2 3.1Å; R198-E255 PolarHBondContact NH1-OE2 3.47Å; R198-E255 VanDerWaalsContact NH1-OE2 3.1Å
199G94.7Very high93.2Very high63 Ų6355.6 Ų55.665%0.64931%0.309SS*.THydrogen-bonded Turntrans107.35.5179.800000115.4L195 T196 E197L195-G199 PolarHBondContact O-N 3.35Å; T196-G199 WeakPolarHBondContact O-CA 3.23Å; T196-G199 PolarHBondContact O-N 3.42Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 3.36Å
200Y93.9Very high93.1Very high56 Ų5654 Ų5422%0.2230%0.3CS..  trans-96.3113.2173.2-60.5-57000110.8L195 T196 I250 T251L195-Y200 CarbonylContact C-O 3.53Å; L195-Y200 HydrophobicContact CD2-CD2 4.4Å; L195-Y200 PolarHBondContact O-N 3.11Å; T196-Y200 WeakPolarHBondContact CA-O 3.32Å; T196-Y200 PolarHBondContact N-O 3.45Å; T196-Y200 PolarHBondContact OG1-O 3Å; Y200-I250 HydrophobicContact CD1-CB 4.36Å; Y200-I250 HydrophobicContact CD1-CG2 3.88Å; Y200-I250 HydrophobicContact CE1-CB 3.82Å; Y200-I250 HydrophobicContact CE1-CG2 3.53Å; Y200-I250 HydrophobicContact CE2-CB 4.04Å; Y200-T251 WeakPolarHBondContact CE2-O 3.46Å; Y200-T251 PolarHBondContact OH-N 3.38Å
201S91.4Very high93.1Very high83 Ų8353.2 Ų53.258%0.5830%0.297SS*.  trans-93.5118-178.7-165.20000111.4V203S201-V203 WeakPolarHBondContact OG-CG2 3.5Å
202F91.9Very high93Very high14 Ų1456.7 Ų56.76%0.06131%0.31CS..  trans-119.1115.3171.5-61.2-72.7000107.4M192 L195 E207 V211 I214 L244 I250M192-F202 WeakPolarHBondContact CE-O 3.43Å; M192-F202 HydrophobicContact CG-CB 3.82Å; M192-F202 HydrophobicContact SD-CB 4.14Å; L195-F202 HydrophobicContact CB-CD2 4.36Å; L195-F202 HydrophobicContact CB-CE2 4.15Å; L195-F202 HydrophobicContact CD1-CD2 4.39Å; L195-F202 HydrophobicContact CD1-CE2 3.87Å; F202-E207 HydrophobicContact CB-CB 3.89Å; F202-E207 HydrophobicContact CD1-CB 3.83Å; F202-E207 HydrophobicContact CD1-CG 4.12Å; F202-E207 HydrophobicContact CG-CB 4.33Å; F202-V211 HydrophobicContact CB-CG2 4.03Å; F202-V211 HydrophobicContact CD1-CG2 4.17Å; F202-V211 HydrophobicContact CD2-CG2 3.59Å; F202-V211 HydrophobicContact CE2-CG2 4.03Å; F202-V211 HydrophobicContact CG-CG2 3.66Å; F202-V211 HydrophobicContact CZ-CG2 4.47Å; F202-I214 HydrophobicContact CZ-CD1 4.44Å; F202-L244 HydrophobicContact CE1-CD2 4.15Å; F202-L244 HydrophobicContact CZ-CD2 4.38Å; F202-I250 HydrophobicContact CZ-CD1 3.93Å
203V87.6Confident93Very high111 Ų11156.3 Ų56.367%0.67331%0.309SS*.  trans-120.7-32.2-168.6-167.30000111.7S201 E207S201-V203 WeakPolarHBondContact OG-CG2 3.5Å; V203-E207 PolarHBondContact N-OE2 3.49Å
204T87.7Confident93.1Very high70 Ų7050.8 Ų50.843%0.42929%0.285SS..SBendtrans-88.5160.4-174.667.90000112A206 E207 R208T204-A206 PolarHBondContact O-N 2.93Å; T204-E207 WeakPolarHBondContact CB-OE2 3.46Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.48Å; T204-E207 PolarHBondContact N-OE2 3.05Å; T204-E207 PolarHBondContact O-N 2.87Å; T204-E207 WeakPolarHBondContact OG1-CB 3.4Å; T204-E207 VanDerWaalsContact OG1-CG 3.27Å; T204-E207 WeakPolarHBondContact OG1-CG 3.48Å; T204-E207 PolarHBondContact OG1-N 3.45Å; T204-E207 PolarHBondContact OG1-OE2 3.13Å; T204-R208 PolarHBondContact O-N 3.3Å
205T84.2Confident93.1Very high79 Ų7951.2 Ų51.249%0.48529%0.287SS..Hα-helixtrans-63-30.7173.654.90000112.4R64 R208R64-T205 PolarHBondContact NH1-O 3.32Å; R64-T205 PolarHBondContact NH2-O 3.26Å; R64-T205 VanDerWaalsContact NH2-O 3.13Å; T205-R208 WeakPolarHBondContact O-CB 3.36Å; T205-R208 PolarHBondContact O-N 3.03Å
206A85.4Confident93.1Very high48 Ų4856.5 Ų56.540%0.39731%0.312SS..Hα-helixtrans-60.7-51.8173.100000111.4R64 T204 R208 E209R64-A206 VanDerWaalsContact NH1-CA 3.29Å; T204-A206 PolarHBondContact O-N 2.93Å; A206-R208 VanDerWaalsContact C-N 3.3Å; A206-R208 PolarHBondContact O-N 3.32Å; A206-E209 PolarHBondContact O-N 2.77Å; A206-E209 VanDerWaalsContact O-N 3.12Å
207E90.8Very high93.3Very high59 Ų5959.7 Ų59.728%0.27632%0.32SS..Hα-helixtrans-63.1-34.8178.4-75160.8165.300112.8F202 V203 T204 E209 I210 V211F202-E207 HydrophobicContact CB-CB 3.89Å; F202-E207 HydrophobicContact CD1-CB 3.83Å; F202-E207 HydrophobicContact CD1-CG 4.12Å; F202-E207 HydrophobicContact CG-CB 4.33Å; V203-E207 PolarHBondContact N-OE2 3.49Å; T204-E207 WeakPolarHBondContact CB-OE2 3.46Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.48Å; T204-E207 PolarHBondContact N-OE2 3.05Å; T204-E207 PolarHBondContact O-N 2.87Å; T204-E207 WeakPolarHBondContact OG1-CB 3.4Å; T204-E207 VanDerWaalsContact OG1-CG 3.27Å; T204-E207 WeakPolarHBondContact OG1-CG 3.48Å; T204-E207 PolarHBondContact OG1-N 3.45Å; T204-E207 PolarHBondContact OG1-OE2 3.13Å; E207-E209 PolarHBondContact O-N 3.35Å; E207-I210 WeakPolarHBondContact O-CA 3.38Å; E207-I210 VanDerWaalsContact O-CB 3.3Å; E207-I210 WeakPolarHBondContact O-CB 3.39Å; E207-I210 PolarHBondContact O-N 3.11Å; E207-V211 PolarHBondContact O-N 3.05Å
208R93.2Very high93.4Very high42 Ų4255.3 Ų55.316%0.15830%0.3CS..Hα-helixtrans-56.1-33.7173.5-170.2-175.8-177.7-78.3-5.4113.1R185 T188 D189 M192 T204 T205 A206 V211 R212R185-R208 PolarHBondContact O-NH2 2.98Å; R185-R208 VanDerWaalsContact O-NH2 3.14Å; T188-R208 HydrophobicContact CG2-CG 4.19Å; D189-R208 IonicContact OD1-CZ 2.9Å; D189-R208 VanDerWaalsContact OD1-CZ 3.22Å; D189-R208 IonicContact OD1-NE 3.78Å; D189-R208 PolarHBondContact OD1-NE 3.17Å; D189-R208 IonicContact OD1-NH2 3.63Å; D189-R208 PolarHBondContact OD1-NH2 3.01Å; D189-R208 IonicContact OD2-CZ 3.3Å; D189-R208 IonicContact OD2-NE 2.8Å; D189-R208 IonicContact OD2-NH2 3.94Å; D189-R208 PolarHBondContact OD2-NH2 3.19Å; M192-R208 HydrophobicContact SD-CB 4.39Å; M192-R208 HydrophobicContact SD-CG 4.42Å; T204-R208 PolarHBondContact O-N 3.3Å; T205-R208 WeakPolarHBondContact O-CB 3.36Å; T205-R208 PolarHBondContact O-N 3.03Å; A206-R208 VanDerWaalsContact C-N 3.3Å; A206-R208 PolarHBondContact O-N 3.32Å; R208-V211 PolarHBondContact O-N 3.25Å; R208-R212 PolarHBondContact O-N 2.79Å
209E91.1Very high93.7Very high29 Ų2951.3 Ų51.314%0.13629%0.285CS..Hα-helixtrans-74.5-31.1175.7-69.9-66.2127.700113.1Q61 R64 A206 E207 V211 R212 D213Q61-E209 PolarHBondContact NE2-OE2 3.5Å; R64-E209 IonicContact NH2-OE1 3.88Å; A206-E209 PolarHBondContact O-N 2.77Å; A206-E209 VanDerWaalsContact O-N 3.12Å; E207-E209 PolarHBondContact O-N 3.35Å; E209-V211 VanDerWaalsContact C-N 3.26Å; E209-R212 WeakPolarHBondContact O-CB 3.38Å; E209-R212 PolarHBondContact O-N 2.71Å; E209-R212 IonicContact OE1-NE 3.62Å; E209-R212 IonicContact OE2-CZ 3.3Å; E209-R212 VanDerWaalsContact OE2-CZ 3.25Å; E209-R212 IonicContact OE2-NE 2.76Å; E209-R212 PolarHBondContact OE2-NE 3.1Å; E209-R212 IonicContact OE2-NH2 3.04Å; E209-R212 PolarHBondContact OE2-NH2 3.03Å; E209-D213 PolarHBondContact O-N 2.91Å
210I94.7Very high93.9Very high32 Ų3250 Ų5016%0.16426%0.261CS..Hα-helixtrans-61.8-44.2171.7-55.3173.8000108.5E207 R212 D213 I214 Y242 L244 P245E207-I210 WeakPolarHBondContact O-CA 3.38Å; E207-I210 VanDerWaalsContact O-CB 3.3Å; E207-I210 WeakPolarHBondContact O-CB 3.39Å; E207-I210 PolarHBondContact O-N 3.11Å; I210-R212 VanDerWaalsContact C-N 3.31Å; I210-R212 PolarHBondContact O-N 2.85Å; I210-D213 PolarHBondContact O-N 2.9Å; I210-D213 VanDerWaalsContact O-N 3.14Å; I210-I214 HydrophobicContact CG2-CD1 4.16Å; I210-I214 VanDerWaalsContact O-CG1 3.32Å; I210-I214 WeakPolarHBondContact O-CG1 3.46Å; I210-I214 PolarHBondContact O-N 3.34Å; I210-Y242 HydrophobicContact CG2-CE1 3.83Å; I210-L244 HydrophobicContact CG2-CD2 3.61Å; I210-P245 HydrophobicContact CD1-CG 3.82Å; I210-P245 HydrophobicContact CG1-CG 4.22Å
211V97.6Very high94.1Very high0 Ų047.5 Ų47.50%025%0.252CS..Hα-helixtrans-61.7-38.6174.7-179.40000111.8T188 L191 M192 L195 F202 E207 R208 E209 I214 K215T188-V211 HydrophobicContact CG2-CB 4.34Å; T188-V211 HydrophobicContact CG2-CG1 4.15Å; L191-V211 HydrophobicContact CB-CG1 3.87Å; L191-V211 HydrophobicContact CD2-CG1 3.79Å; L191-V211 HydrophobicContact CG-CG1 3.75Å; M192-V211 HydrophobicContact CB-CG1 4.13Å; M192-V211 HydrophobicContact CB-CG2 4.41Å; M192-V211 HydrophobicContact CG-CG2 4.18Å; L195-V211 HydrophobicContact CD1-CG1 4.27Å; L195-V211 HydrophobicContact CD1-CG2 4.41Å; F202-V211 HydrophobicContact CB-CG2 4.03Å; F202-V211 HydrophobicContact CD1-CG2 4.17Å; F202-V211 HydrophobicContact CD2-CG2 3.59Å; F202-V211 HydrophobicContact CE2-CG2 4.03Å; F202-V211 HydrophobicContact CG-CG2 3.66Å; F202-V211 HydrophobicContact CZ-CG2 4.47Å; E207-V211 PolarHBondContact O-N 3.05Å; R208-V211 PolarHBondContact O-N 3.25Å; E209-V211 VanDerWaalsContact C-N 3.26Å; V211-I214 PolarHBondContact O-N 3.31Å; V211-K215 WeakPolarHBondContact O-CB 3.4Å; V211-K215 PolarHBondContact O-N 2.93Å
212R96.9Very high94.5Very high72 Ų7243.7 Ų43.727%0.27223%0.225SC..Hα-helixtrans-61.1-42.8172.9-172-175.359.471.33.8111.9T188 R208 E209 I210 K215 E216T188-R212 HydrophobicContact CG2-CB 3.85Å; R208-R212 PolarHBondContact O-N 2.79Å; E209-R212 WeakPolarHBondContact O-CB 3.38Å; E209-R212 PolarHBondContact O-N 2.71Å; E209-R212 IonicContact OE1-NE 3.62Å; E209-R212 IonicContact OE2-CZ 3.3Å; E209-R212 VanDerWaalsContact OE2-CZ 3.25Å; E209-R212 IonicContact OE2-NE 2.76Å; E209-R212 PolarHBondContact OE2-NE 3.1Å; E209-R212 IonicContact OE2-NH2 3.04Å; E209-R212 PolarHBondContact OE2-NH2 3.03Å; I210-R212 VanDerWaalsContact C-N 3.31Å; I210-R212 PolarHBondContact O-N 2.85Å; R212-K215 VanDerWaalsContact O-CB 3.31Å; R212-K215 WeakPolarHBondContact O-CB 3.48Å; R212-K215 PolarHBondContact O-N 2.95Å; R212-E216 WeakPolarHBondContact CG-OE1 3.17Å; R212-E216 IonicContact CZ-OE1 2.74Å; R212-E216 IonicContact NH1-OE1 3.5Å; R212-E216 PolarHBondContact NH1-OE1 3.11Å; R212-E216 IonicContact NH1-OE2 4Å; R212-E216 PolarHBondContact NH1-OE2 3.14Å; R212-E216 VanDerWaalsContact NH1-OE2 3.13Å; R212-E216 WeakPolarHBondContact O-CG 3.38Å; R212-E216 PolarHBondContact O-N 3.39Å
213D97.1Very high94.8Very high37 Ų3747.6 Ų47.620%0.19825%0.246CC..Hα-helixtrans-67.8-39.6177.6-175.873.6000112E209 I210 K215 E216 K217 Y242E209-D213 PolarHBondContact O-N 2.91Å; I210-D213 PolarHBondContact O-N 2.9Å; I210-D213 VanDerWaalsContact O-N 3.14Å; D213-K215 VanDerWaalsContact C-N 3.31Å; D213-K215 PolarHBondContact O-N 2.86Å; D213-E216 PolarHBondContact O-N 3.16Å; D213-K217 VanDerWaalsContact CG-NZ 3.27Å; D213-K217 WeakPolarHBondContact O-CB 3.39Å; D213-K217 WeakPolarHBondContact O-CG 3.46Å; D213-K217 PolarHBondContact O-N 3.13Å; D213-K217 WeakPolarHBondContact OD1-CE 3.44Å; D213-K217 IonicContact OD1-NZ 2.88Å; D213-K217 PolarHBondContact OD1-NZ 3.39Å; D213-K217 WeakPolarHBondContact OD2-CD 3.36Å; D213-K217 VanDerWaalsContact OD2-CE 3.3Å; D213-K217 WeakPolarHBondContact OD2-CE 3.39Å; D213-K217 IonicContact OD2-NZ 3.7Å; D213-K217 PolarHBondContact OD2-NZ 3.38Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.27Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.41Å; D213-Y242 VanDerWaalsContact OD2-CZ 3.3Å; D213-Y242 PolarHBondContact OD2-OH 3.37Å
214I98.3Very high95.3Very high0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-57.3-46.8170.6-68.2166.3000110.2L191 F202 I210 V211 E216 K217 L218 Y242 I250 I252L191-I214 HydrophobicContact CD2-CG2 4.13Å; F202-I214 HydrophobicContact CZ-CD1 4.44Å; I210-I214 HydrophobicContact CG2-CD1 4.16Å; I210-I214 VanDerWaalsContact O-CG1 3.32Å; I210-I214 WeakPolarHBondContact O-CG1 3.46Å; I210-I214 PolarHBondContact O-N 3.34Å; V211-I214 PolarHBondContact O-N 3.31Å; I214-E216 PolarHBondContact O-N 2.89Å; I214-K217 PolarHBondContact O-N 2.8Å; I214-L218 HydrophobicContact CG2-CD1 4.34Å; I214-L218 WeakPolarHBondContact O-CB 3.31Å; I214-L218 PolarHBondContact O-N 3.13Å; I214-Y242 HydrophobicContact CD1-CD1 4.05Å; I214-Y242 HydrophobicContact CD1-CE1 4.21Å; I214-Y242 HydrophobicContact CD1-CG 4.35Å; I214-Y242 HydrophobicContact CG1-CD1 3.78Å; I214-Y242 HydrophobicContact CG1-CD2 3.71Å; I214-Y242 HydrophobicContact CG1-CE1 3.81Å; I214-Y242 HydrophobicContact CG1-CE2 3.71Å; I214-Y242 HydrophobicContact CG1-CG 3.74Å; I214-I250 HydrophobicContact CD1-CD1 3.87Å; I214-I252 HydrophobicContact CG2-CD1 4.2Å; I214-I252 HydrophobicContact CG2-CG1 4Å
215K98.5Very high95.7Very high9 Ų943.1 Ų43.14%0.03922%0.215CC..Hα-helixtrans-56.1-50.9177.8-175.5-164.677.6-169.70111G184 L187 T188 L191 V211 R212 D213 C219 Y308G184-K215 PolarHBondContact O-NZ 2.93Å; L187-K215 HydrophobicContact CB-CD 3.98Å; T188-K215 PolarHBondContact OG1-NZ 3.45Å; L191-K215 HydrophobicContact CD2-CB 3.67Å; L191-K215 HydrophobicContact CD2-CG 4.34Å; V211-K215 WeakPolarHBondContact O-CB 3.4Å; V211-K215 PolarHBondContact O-N 2.93Å; R212-K215 VanDerWaalsContact O-CB 3.31Å; R212-K215 WeakPolarHBondContact O-CB 3.48Å; R212-K215 PolarHBondContact O-N 2.95Å; D213-K215 VanDerWaalsContact C-N 3.31Å; D213-K215 PolarHBondContact O-N 2.86Å; K215-C219 WeakPolarHBondContact O-CB 3.3Å; K215-C219 PolarHBondContact O-N 3.25Å; K215-Y308 WeakPolarHBondContact CD-OH 3.25Å; K215-Y308 HydrophobicContact CG-CE1 4.13Å; K215-Y308 WeakPolarHBondContact CG-OH 3.44Å
216E97.8Very high96.4Very high111 Ų11145.4 Ų45.452%0.51922%0.22SC..Hα-helixtrans-68.1-36.7-177.2-72.2171.2-159.700113.1R212 D213 I214R212-E216 WeakPolarHBondContact CG-OE1 3.17Å; R212-E216 IonicContact CZ-OE1 2.74Å; R212-E216 IonicContact NH1-OE1 3.5Å; R212-E216 PolarHBondContact NH1-OE1 3.11Å; R212-E216 IonicContact NH1-OE2 4Å; R212-E216 PolarHBondContact NH1-OE2 3.14Å; R212-E216 VanDerWaalsContact NH1-OE2 3.13Å; R212-E216 WeakPolarHBondContact O-CG 3.38Å; R212-E216 PolarHBondContact O-N 3.39Å; D213-E216 PolarHBondContact O-N 3.16Å; I214-E216 PolarHBondContact O-N 2.89Å
217K98.3Very high96.9Very high135 Ų13547.7 Ų47.759%0.58723%0.226SC*.Hα-helixtrans-85.2-37.1-176.6-73176.6179.6160.20114.2D213 I214 Y242D213-K217 VanDerWaalsContact CG-NZ 3.27Å; D213-K217 WeakPolarHBondContact O-CB 3.39Å; D213-K217 WeakPolarHBondContact O-CG 3.46Å; D213-K217 PolarHBondContact O-N 3.13Å; D213-K217 WeakPolarHBondContact OD1-CE 3.44Å; D213-K217 IonicContact OD1-NZ 2.88Å; D213-K217 PolarHBondContact OD1-NZ 3.39Å; D213-K217 WeakPolarHBondContact OD2-CD 3.36Å; D213-K217 VanDerWaalsContact OD2-CE 3.3Å; D213-K217 WeakPolarHBondContact OD2-CE 3.39Å; D213-K217 IonicContact OD2-NZ 3.7Å; D213-K217 PolarHBondContact OD2-NZ 3.38Å; I214-K217 PolarHBondContact O-N 2.8Å; K217-Y242 HydrophobicContact CD-CE2 4.22Å
218L98.4Very high97.3Very high24 Ų2446.7 Ų46.713%0.12622%0.221CC..Hα-helixtrans-112.7-23-165.7-59.4-171.1000114.2I214 K240 Y242 I252 R256I214-L218 HydrophobicContact CG2-CD1 4.34Å; I214-L218 WeakPolarHBondContact O-CB 3.31Å; I214-L218 PolarHBondContact O-N 3.13Å; L218-K240 HydrophobicContact CD1-CB 4.21Å; L218-K240 HydrophobicContact CD2-CB 4.17Å; L218-Y242 HydrophobicContact CD1-CD2 4.12Å; L218-Y242 HydrophobicContact CD1-CG 4.45Å; L218-I252 HydrophobicContact CD1-CB 4.34Å; L218-I252 HydrophobicContact CD1-CG1 3.83Å; L218-R256 HydrophobicContact CB-CG 4.45Å; L218-R256 VanDerWaalsContact O-CZ 3.27Å; L218-R256 PolarHBondContact O-NE 3.34Å; L218-R256 PolarHBondContact O-NH2 2.63Å
219C98.7Very high97.5Very high4 Ų447.1 Ų47.13%0.02723%0.226CC..  trans-77.8153.4-176.6-64.90000112.8K215 R256 P260 Y308K215-C219 WeakPolarHBondContact O-CB 3.3Å; K215-C219 PolarHBondContact O-N 3.25Å; C219-R256 CarbonylContact C-O 3.51Å; C219-R256 WeakPolarHBondContact CA-O 3.32Å; C219-R256 WeakPolarHBondContact CB-O 3.48Å; C219-R256 PolarHBondContact SG-O 2.83Å; C219-P260 HydrophobicContact CB-CG 4.38Å; C219-Y308 HydrophobicContact CB-CD1 3.96Å; C219-Y308 HydrophobicContact CB-CE1 3.65Å
220Y98.8Very high97.8Very high34 Ų3448.4 Ų48.413%0.13324%0.241CC..  trans-153.9155.6179.266.6-80.2000110.4E228 R256 F257 P260Y220-E228 WeakPolarHBondContact CE2-OE1 3.43Å; Y220-E228 PolarHBondContact OH-OE1 3.07Å; Y220-R256 HydrophobicContact CD1-CB 4.06Å; Y220-R256 HydrophobicContact CE1-CB 3.81Å; Y220-R256 PolarHBondContact N-O 3.36Å; Y220-F257 HydrophobicContact CD1-CB 4.46Å; Y220-F257 HydrophobicContact CD2-CB 4.31Å; Y220-F257 HydrophobicContact CE1-CB 4.11Å; Y220-F257 HydrophobicContact CE1-CD1 4.13Å; Y220-F257 HydrophobicContact CE2-CB 3.97Å; Y220-F257 HydrophobicContact CE2-CD1 4.46Å; Y220-F257 AromaticContact CZ-CD1 3.72Å; Y220-F257 VanDerWaalsContact O-CA 3.27Å; Y220-F257 WeakPolarHBondContact O-CA 3.48Å; Y220-F257 WeakPolarHBondContact O-CB 3.45Å; Y220-F257 VanDerWaalsContact OH-CD1 3.29Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.32Å; Y220-P260 WeakPolarHBondContact O-CG 3.27Å
221V98.8Very high97.8Very high5 Ų549.1 Ų49.13%0.0325%0.247CC..  trans-91.9122.4174.8172.90000108.9P260 F264 Y308 P309 I311 R314V221-P260 HydrophobicContact CG2-CB 3.83Å; V221-P260 HydrophobicContact CG2-CG 4.21Å; V221-F264 HydrophobicContact CG1-CE2 3.67Å; V221-F264 HydrophobicContact CG1-CZ 4.14Å; V221-F264 HydrophobicContact CG2-CE2 4.2Å; V221-Y308 HydrophobicContact CG2-CD2 4.43Å; V221-Y308 HydrophobicContact CG2-CG 4.36Å; V221-P309 PolarHBondContact N-O 3.14Å; V221-I311 HydrophobicContact CB-CB 4.36Å; V221-I311 HydrophobicContact CG2-CB 4.04Å; V221-I311 HydrophobicContact CG2-CG1 4.24Å; V221-R314 HydrophobicContact CG1-CB 3.52Å; V221-R314 HydrophobicContact CG1-CG 3.7Å
222A98.4Very high97.7Very high3 Ų350.3 Ų50.33%0.02526%0.257CS..  trans-75.6141173.500000111D224 E228 F257 R314A222-D224 VanDerWaalsContact C-N 3.35Å; A222-E228 HydrophobicContact CB-CB 3.79Å; A222-E228 HydrophobicContact CB-CG 3.82Å; A222-F257 HydrophobicContact CB-CB 4.34Å; A222-F257 HydrophobicContact CB-CD2 4.4Å; A222-R314 WeakPolarHBondContact O-CD 3.37Å; A222-R314 PolarHBondContact O-NH1 2.65Å
223L98.2Very high97.7Very high95 Ų9551 Ų5150%0.49728%0.279SS..SBendtrans-70-34.4175.6-176.565.9000112D313 R314 K317L223-D313 HydrophobicContact CD1-CB 4.17Å; L223-R314 WeakPolarHBondContact O-CD 3.15Å; L223-K317 HydrophobicContact CD1-CB 4.07Å; L223-K317 HydrophobicContact CD1-CD 3.92Å; L223-K317 HydrophobicContact CG-CD 4.21Å; L223-K317 WeakPolarHBondContact O-CD 3.48Å; L223-K317 PolarHBondContact O-NZ 2.8Å
224D98Very high97.5Very high72 Ų7255.2 Ų55.239%0.38531%0.305SS..SBendtrans-133.898.8174.9-164.6-57.1000108.7A222 E226 N227 E228 K317A222-D224 VanDerWaalsContact C-N 3.35Å; D224-E226 PolarHBondContact O-N 2.79Å; D224-E226 PolarHBondContact OD1-N 2.81Å; D224-N227 HydrophobicContact CB-CB 4.1Å; D224-N227 PolarHBondContact O-N 3.29Å; D224-N227 PolarHBondContact OD1-N 3.18Å; D224-N227 VanDerWaalsContact OD1-N 3.11Å; D224-E228 WeakPolarHBondContact O-CB 3.46Å; D224-E228 PolarHBondContact O-N 3.11Å; D224-K317 IonicContact OD2-NZ 2.71Å; D224-K317 PolarHBondContact OD2-NZ 3.03Å
225F97.7Very high97.2Very high16 Ų1657.4 Ų57.47%0.0732%0.321CS..Hα-helixtrans-61.6-42.2-172.7177.2-101.3000112.7E228 M229 F257 R258 E261 F268F225-E228 PolarHBondContact O-N 3.11Å; F225-M229 HydrophobicContact CD1-CG 4.3Å; F225-M229 HydrophobicContact CE1-CG 3.8Å; F225-M229 HydrophobicContact CE2-CG 4.13Å; F225-M229 HydrophobicContact CE2-SD 4.35Å; F225-M229 HydrophobicContact CZ-CG 3.7Å; F225-M229 HydrophobicContact CZ-SD 4.01Å; F225-M229 WeakPolarHBondContact O-CG 3.49Å; F225-M229 PolarHBondContact O-N 3.11Å; F225-F257 AromaticContact CD2-CD2 3.77Å; F225-F257 HydrophobicContact CD2-CD2 3.77Å; F225-F257 HydrophobicContact CD2-CE2 4.07Å; F225-F257 AromaticContact CE2-CD2 3.66Å; F225-F257 HydrophobicContact CE2-CD2 3.66Å; F225-F257 AromaticContact CE2-CE2 3.81Å; F225-F257 HydrophobicContact CE2-CE2 3.81Å; F225-R258 HydrophobicContact CE2-CG 3.94Å; F225-R258 HydrophobicContact CZ-CG 3.99Å; F225-E261 HydrophobicContact CB-CG 4.46Å; F225-E261 HydrophobicContact CD1-CG 4.18Å; F225-E261 HydrophobicContact CD2-CB 3.79Å; F225-E261 HydrophobicContact CD2-CG 3.49Å; F225-E261 VanDerWaalsContact CD2-CG 3.49Å; F225-E261 HydrophobicContact CE1-CG 4.32Å; F225-E261 HydrophobicContact CE2-CB 3.73Å; F225-E261 HydrophobicContact CE2-CG 3.68Å; F225-E261 HydrophobicContact CG-CG 3.77Å; F225-E261 HydrophobicContact CZ-CB 4.43Å; F225-E261 HydrophobicContact CZ-CG 4.09Å; F225-F268 HydrophobicContact CE1-CE2 4.3Å; F225-F268 AromaticContact CE1-CZ 3.9Å; F225-F268 HydrophobicContact CE1-CZ 3.9Å; F225-F268 HydrophobicContact CE2-CE2 4.45Å; F225-F268 AromaticContact CZ-CE2 3.84Å; F225-F268 HydrophobicContact CZ-CE2 3.84Å; F225-F268 AromaticContact CZ-CZ 3.9Å; F225-F268 HydrophobicContact CZ-CZ 3.9Å
226E97.4Very high97Very high126 Ų12661 Ų6159%0.58935%0.347SS*.Hα-helixtrans-67.2-43.2-177.9-64.1-56.9143.700111.7D224 E228 M229 A230D224-E226 PolarHBondContact O-N 2.79Å; D224-E226 PolarHBondContact OD1-N 2.81Å; E226-E228 VanDerWaalsContact C-N 3.34Å; E226-M229 PolarHBondContact O-N 2.69Å; E226-A230 PolarHBondContact O-N 3.26Å
227N96.9Very high96.7Very high97 Ų9759.9 Ų59.952%0.51935%0.352SS..Hα-helixtrans-66.7-36.8175.2-175.660.1000112.3D224 A230 T231D224-N227 HydrophobicContact CB-CB 4.1Å; D224-N227 PolarHBondContact O-N 3.29Å; D224-N227 PolarHBondContact OD1-N 3.18Å; D224-N227 VanDerWaalsContact OD1-N 3.11Å; N227-A230 PolarHBondContact O-N 2.95Å; N227-T231 PolarHBondContact O-N 3.14Å; N227-T231 PolarHBondContact O-OG1 2.63Å
228E97.7Very high96.5Very high37 Ų3754.9 Ų54.917%0.17333%0.331CS..Hα-helixtrans-64.5-40.9175.2-160.479-171.400111.1Y220 A222 D224 F225 E226 T231 A232 L238 F257Y220-E228 WeakPolarHBondContact CE2-OE1 3.43Å; Y220-E228 PolarHBondContact OH-OE1 3.07Å; A222-E228 HydrophobicContact CB-CB 3.79Å; A222-E228 HydrophobicContact CB-CG 3.82Å; D224-E228 WeakPolarHBondContact O-CB 3.46Å; D224-E228 PolarHBondContact O-N 3.11Å; F225-E228 PolarHBondContact O-N 3.11Å; E226-E228 VanDerWaalsContact C-N 3.34Å; E228-T231 PolarHBondContact O-N 3.09Å; E228-A232 WeakPolarHBondContact O-CB 3.49Å; E228-A232 PolarHBondContact O-N 2.79Å; E228-L238 HydrophobicContact CG-CD1 4.23Å; E228-F257 HydrophobicContact CB-CD2 4.19Å; E228-F257 HydrophobicContact CB-CE2 3.85Å; E228-F257 HydrophobicContact CB-CZ 4.05Å; E228-F257 HydrophobicContact CG-CD1 3.82Å; E228-F257 HydrophobicContact CG-CD2 3.9Å; E228-F257 HydrophobicContact CG-CE1 3.67Å; E228-F257 HydrophobicContact CG-CE2 3.77Å; E228-F257 HydrophobicContact CG-CG 3.92Å; E228-F257 HydrophobicContact CG-CZ 3.65Å
229M97.7Very high96.4Very high52 Ų5257.6 Ų57.626%0.25634%0.343SS..Hα-helixtrans-60.6-45.1172.9-78.5-59.1-63.600112.2F225 E226 T231 A232 A233 N254 F257 R258F225-M229 HydrophobicContact CD1-CG 4.3Å; F225-M229 HydrophobicContact CE1-CG 3.8Å; F225-M229 HydrophobicContact CE2-CG 4.13Å; F225-M229 HydrophobicContact CE2-SD 4.35Å; F225-M229 HydrophobicContact CZ-CG 3.7Å; F225-M229 HydrophobicContact CZ-SD 4.01Å; F225-M229 WeakPolarHBondContact O-CG 3.49Å; F225-M229 PolarHBondContact O-N 3.11Å; E226-M229 PolarHBondContact O-N 2.69Å; M229-T231 VanDerWaalsContact C-N 3.31Å; M229-T231 PolarHBondContact O-N 2.97Å; M229-A232 PolarHBondContact O-N 3.49Å; M229-A233 PolarHBondContact O-N 2.9Å; M229-N254 HydrophobicContact SD-CB 4.29Å; M229-F257 HydrophobicContact CG-CE2 3.8Å; M229-F257 HydrophobicContact CG-CZ 4.28Å; M229-F257 HydrophobicContact SD-CE2 3.49Å; M229-F257 WeakPolarHBondContact SD-CE2 3.36Å; M229-F257 HydrophobicContact SD-CZ 3.69Å; M229-R258 HydrophobicContact SD-CG 3.8Å
230A97.3Very high96.3Very high55 Ų5562.7 Ų62.746%0.45537%0.365SS..Hα-helixtrans-62.6-38.7176.800000112.3E226 N227 A233 T234E226-A230 PolarHBondContact O-N 3.26Å; N227-A230 PolarHBondContact O-N 2.95Å; A230-A233 PolarHBondContact O-N 2.94Å; A230-T234 PolarHBondContact O-N 3.4Å; A230-T234 PolarHBondContact O-OG1 3.5Å; A230-T234 VanDerWaalsContact O-OG1 3.06Å
231T96.2Very high96.3Very high47 Ų4765 Ų6529%0.28839%0.386SS..Hα-helixtrans-65.6-45.2175.4-57.20000111N227 E228 M229 A233 T234 S235 L238N227-T231 PolarHBondContact O-N 3.14Å; N227-T231 PolarHBondContact O-OG1 2.63Å; E228-T231 PolarHBondContact O-N 3.09Å; M229-T231 VanDerWaalsContact C-N 3.31Å; M229-T231 PolarHBondContact O-N 2.97Å; T231-A233 PolarHBondContact O-N 3.08Å; T231-T234 PolarHBondContact O-N 3.16Å; T231-T234 VanDerWaalsContact O-N 3.11Å; T231-T234 PolarHBondContact O-OG1 3.28Å; T231-S235 PolarHBondContact O-N 2.9Å; T231-L238 HydrophobicContact CG2-CD1 3.97Å; T231-L238 HydrophobicContact CG2-CG 4.44Å
232A95.6Very high96.2Very high25 Ų2566.1 Ų66.121%0.20739%0.39CS..Hα-helixtrans-64.4-27.9177.900000113.3E228 M229 T234 L238 N254 F257E228-A232 WeakPolarHBondContact O-CB 3.49Å; E228-A232 PolarHBondContact O-N 2.79Å; M229-A232 PolarHBondContact O-N 3.49Å; A232-T234 VanDerWaalsContact C-N 3.3Å; A232-L238 HydrophobicContact CB-CD1 3.98Å; A232-N254 HydrophobicContact CB-CB 3.87Å; A232-F257 HydrophobicContact CB-CE1 4.14Å; A232-F257 HydrophobicContact CB-CZ 4.02Å
233A95.4Very high96.2Very high88 Ų8872.3 Ų72.373%0.72742%0.418SS*.Hα-helixtrans-73.4-21.8175.800000113.3M229 A230 T231M229-A233 PolarHBondContact O-N 2.9Å; A230-A233 PolarHBondContact O-N 2.94Å; T231-A233 PolarHBondContact O-N 3.08Å
234T94.4Very high96Very high124 Ų12468.7 Ų68.776%0.76140%0.399SS*.Hα-helixtrans-113.7-13.3-173.4540000113.9A230 T231 A232A230-T234 PolarHBondContact O-N 3.4Å; A230-T234 PolarHBondContact O-OG1 3.5Å; A230-T234 VanDerWaalsContact O-OG1 3.06Å; T231-T234 PolarHBondContact O-N 3.16Å; T231-T234 VanDerWaalsContact O-N 3.11Å; T231-T234 PolarHBondContact O-OG1 3.28Å; A232-T234 VanDerWaalsContact C-N 3.3Å
235S91.9Very high95.7Very high47 Ų4770.4 Ų70.433%0.32941%0.414SS..  trans-142.5141.5-175.8-179.40000112.2T231 S237T231-S235 PolarHBondContact O-N 2.9Å; S235-S237 VanDerWaalsContact C-N 3.31Å; S235-S237 VanDerWaalsContact OG-CB 3.26Å; S235-S237 WeakPolarHBondContact OG-CB 2.79Å; S235-S237 PolarHBondContact OG-N 2.85Å; S235-S237 PolarHBondContact OG-OG 3.39Å
236S92.4Very high95.4Very high85 Ų8575.2 Ų75.259%0.59444%0.441SS*.SBendtrans-86.83.4169.5570000113.5L238 E239S236-L238 PolarHBondContact O-N 3.19Å; S236-L238 VanDerWaalsContact O-N 3.08Å; S236-E239 WeakPolarHBondContact O-CB 3.41Å; S236-E239 PolarHBondContact O-N 3.07Å
237S92.6Very high95.2Very high87 Ų8771.1 Ų71.161%0.60843%0.432SS*.THydrogen-bonded Turntrans-61-20.3-178.959.70000114.2S235S235-S237 VanDerWaalsContact C-N 3.31Å; S235-S237 VanDerWaalsContact OG-CB 3.26Å; S235-S237 WeakPolarHBondContact OG-CB 2.79Å; S235-S237 PolarHBondContact OG-N 2.85Å; S235-S237 PolarHBondContact OG-OG 3.39Å
238L93.8Very high95.1Very high29 Ų2971.4 Ų71.415%0.15243%0.43CS..THydrogen-bonded Turntrans-89.7-8.1178-58.1179.4000112.8E228 T231 A232 S236 R256 F257E228-L238 HydrophobicContact CG-CD1 4.23Å; T231-L238 HydrophobicContact CG2-CD1 3.97Å; T231-L238 HydrophobicContact CG2-CG 4.44Å; A232-L238 HydrophobicContact CB-CD1 3.98Å; S236-L238 PolarHBondContact O-N 3.19Å; S236-L238 VanDerWaalsContact O-N 3.08Å; L238-R256 PolarHBondContact O-NH1 2.87Å; L238-F257 HydrophobicContact CD1-CE1 4.33Å
239E96.3Very high95Very high82 Ų8273.7 Ų73.738%0.38345%0.447SS..  trans-73142.6179-60.6-167.7142.300111.3R198 S236 T251 I252R198-E239 IonicContact NH2-OE1 2.79Å; R198-E239 PolarHBondContact NH2-OE1 3.32Å; S236-E239 WeakPolarHBondContact O-CB 3.41Å; S236-E239 PolarHBondContact O-N 3.07Å; E239-T251 HydrophobicContact CB-CG2 3.79Å; E239-T251 HydrophobicContact CG-CG2 4.24Å; E239-I252 WeakPolarHBondContact CA-O 3.35Å
240K97.7Very high95Very high111 Ų11171.3 Ų71.348%0.48344%0.435SS..EExtended strand (participates in β ladder)trans-130142.3172.8-74.6-72.9-177.5175.10109.7L218 I252 R256L218-K240 HydrophobicContact CD1-CB 4.21Å; L218-K240 HydrophobicContact CD2-CB 4.17Å; K240-I252 PolarHBondContact N-O 2.8Å; K240-I252 PolarHBondContact O-N 3.43Å; K240-R256 VanDerWaalsContact CG-CZ 3.41Å
241S97.2Very high95Very high81 Ų8170.6 Ų70.657%0.56643%0.425SS*.EExtended strand (participates in β ladder)trans-89.5146.9173.8-62.90000110.7I250S241-I250 CarbonylContact C-O 3.56Å; S241-I250 VanDerWaalsContact CA-O 3.29Å; S241-I250 WeakPolarHBondContact CA-O 3.34Å
242Y97.8Very high95.1Very high29 Ų2968.4 Ų68.411%0.11441%0.411CS..EExtended strand (participates in β ladder)trans-132.7134.1174.5-176.7-87.5000109I210 D213 I214 K217 L218 L244 V249 I250I210-Y242 HydrophobicContact CG2-CE1 3.83Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.27Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.41Å; D213-Y242 VanDerWaalsContact OD2-CZ 3.3Å; D213-Y242 PolarHBondContact OD2-OH 3.37Å; I214-Y242 HydrophobicContact CD1-CD1 4.05Å; I214-Y242 HydrophobicContact CD1-CE1 4.21Å; I214-Y242 HydrophobicContact CD1-CG 4.35Å; I214-Y242 HydrophobicContact CG1-CD1 3.78Å; I214-Y242 HydrophobicContact CG1-CD2 3.71Å; I214-Y242 HydrophobicContact CG1-CE1 3.81Å; I214-Y242 HydrophobicContact CG1-CE2 3.71Å; I214-Y242 HydrophobicContact CG1-CG 3.74Å; K217-Y242 HydrophobicContact CD-CE2 4.22Å; L218-Y242 HydrophobicContact CD1-CD2 4.12Å; L218-Y242 HydrophobicContact CD1-CG 4.45Å; Y242-L244 HydrophobicContact CD1-CD2 4.1Å; Y242-L244 HydrophobicContact CE1-CD2 4.06Å; Y242-V249 CarbonylContact O-C 3.58Å; Y242-V249 WeakPolarHBondContact O-CA 3.35Å; Y242-I250 HydrophobicContact CD1-CD1 4.45Å; Y242-I250 HydrophobicContact CD1-CG1 4.36Å; Y242-I250 PolarHBondContact N-O 3.29Å; Y242-I250 PolarHBondContact O-N 3.17Å
243E97.2Very high95.1Very high134 Ų13467.3 Ų67.363%0.62640%0.403SS*.EExtended strand (participates in β ladder)trans-94.7119.4177.2-171.6178166.500109.8V249E243-V249 HydrophobicContact CB-CG2 4.46Å; E243-V249 HydrophobicContact CG-CG2 4.39Å
244L94.7Very high95.2Very high18 Ų1864.9 Ų64.99%0.09438%0.378CS..  trans-72.2161.2175.9-65.9178.8000111F202 I210 Y242 D246 G247 Q248 I250F202-L244 HydrophobicContact CE1-CD2 4.15Å; F202-L244 HydrophobicContact CZ-CD2 4.38Å; I210-L244 HydrophobicContact CG2-CD2 3.61Å; Y242-L244 HydrophobicContact CD1-CD2 4.1Å; Y242-L244 HydrophobicContact CE1-CD2 4.06Å; L244-D246 WeakPolarHBondContact CB-OD1 3.48Å; L244-D246 PolarHBondContact O-N 2.91Å; L244-G247 PolarHBondContact O-N 2.92Å; L244-Q248 HydrophobicContact CB-CB 4.4Å; L244-Q248 VanDerWaalsContact CB-O 3.31Å; L244-Q248 WeakPolarHBondContact CB-O 3.38Å; L244-Q248 HydrophobicContact CD1-CB 4.12Å; L244-Q248 HydrophobicContact CD1-CG 4.28Å; L244-Q248 WeakPolarHBondContact CG-O 3.43Å; L244-Q248 PolarHBondContact N-O 2.88Å; L244-I250 HydrophobicContact CD1-CG2 3.76Å; L244-I250 HydrophobicContact CD2-CD1 3.95Å; L244-I250 HydrophobicContact CD2-CG1 4.48Å; L244-I250 HydrophobicContact CG-CD1 4.34Å; L244-I250 HydrophobicContact CG-CG1 4.43Å; L244-I250 HydrophobicContact CG-CG2 4.18Å
245P91.2Very high95.4Very high109 Ų10959.3 Ų59.371%0.70834%0.343SS*.THydrogen-bonded Turntrans-59.5-19.8-179.9-26.135.9000115.6I210 G247I210-P245 HydrophobicContact CD1-CG 3.82Å; I210-P245 HydrophobicContact CG1-CG 4.22Å; P245-G247 VanDerWaalsContact C-N 3.33Å
246D91.4Very high95.7Very high117 Ų11758.5 Ų58.563%0.62633%0.333SS*.THydrogen-bonded Turntrans-88.71.7175.462.70000113.4L244 Q248L244-D246 WeakPolarHBondContact CB-OD1 3.48Å; L244-D246 PolarHBondContact O-N 2.91Å; D246-Q248 VanDerWaalsContact C-N 3.34Å; D246-Q248 VanDerWaalsContact OD1-CB 3.25Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.5Å; D246-Q248 PolarHBondContact OD1-N 3.41Å
247G93.6Very high96Very high39 Ų3954.5 Ų54.540%0.40231%0.305SS..SBendtrans85.5-1.9-177.100000114.2L244 P245 V249L244-G247 PolarHBondContact O-N 2.92Å; P245-G247 VanDerWaalsContact C-N 3.33Å; G247-V249 PolarHBondContact O-N 2.87Å
248Q94.9Very high96.3Very high103 Ų10352.8 Ų52.848%0.48129%0.285SS..  trans-69.6129175.5178.7179.9-7.600110.3L244 D246 I250L244-Q248 HydrophobicContact CB-CB 4.4Å; L244-Q248 VanDerWaalsContact CB-O 3.31Å; L244-Q248 WeakPolarHBondContact CB-O 3.38Å; L244-Q248 HydrophobicContact CD1-CB 4.12Å; L244-Q248 HydrophobicContact CD1-CG 4.28Å; L244-Q248 WeakPolarHBondContact CG-O 3.43Å; L244-Q248 PolarHBondContact N-O 2.88Å; D246-Q248 VanDerWaalsContact C-N 3.34Å; D246-Q248 VanDerWaalsContact OD1-CB 3.25Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.5Å; D246-Q248 PolarHBondContact OD1-N 3.41Å; Q248-I250 HydrophobicContact CG-CG2 4.4Å
249V96.8Very high96.5Very high86 Ų8651.4 Ų51.452%0.52128%0.278SS..EExtended strand (participates in β ladder)trans-93.1125.4175.2-176.90000110.2Y242 E243 G247Y242-V249 CarbonylContact O-C 3.58Å; Y242-V249 WeakPolarHBondContact O-CA 3.35Å; E243-V249 HydrophobicContact CB-CG2 4.46Å; E243-V249 HydrophobicContact CG-CG2 4.39Å; G247-V249 PolarHBondContact O-N 2.87Å
250I96.6Very high96.6Very high1 Ų147.5 Ų47.51%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-112.5154174.964.3172.5000110.9Y200 F202 I214 S241 Y242 L244 Q248 I252Y200-I250 HydrophobicContact CD1-CB 4.36Å; Y200-I250 HydrophobicContact CD1-CG2 3.88Å; Y200-I250 HydrophobicContact CE1-CB 3.82Å; Y200-I250 HydrophobicContact CE1-CG2 3.53Å; Y200-I250 HydrophobicContact CE2-CB 4.04Å; F202-I250 HydrophobicContact CZ-CD1 3.93Å; I214-I250 HydrophobicContact CD1-CD1 3.87Å; S241-I250 CarbonylContact C-O 3.56Å; S241-I250 VanDerWaalsContact CA-O 3.29Å; S241-I250 WeakPolarHBondContact CA-O 3.34Å; Y242-I250 HydrophobicContact CD1-CD1 4.45Å; Y242-I250 HydrophobicContact CD1-CG1 4.36Å; Y242-I250 PolarHBondContact N-O 3.29Å; Y242-I250 PolarHBondContact O-N 3.17Å; L244-I250 HydrophobicContact CD1-CG2 3.76Å; L244-I250 HydrophobicContact CD2-CD1 3.95Å; L244-I250 HydrophobicContact CD2-CG1 4.48Å; L244-I250 HydrophobicContact CG-CD1 4.34Å; L244-I250 HydrophobicContact CG-CG1 4.43Å; L244-I250 HydrophobicContact CG-CG2 4.18Å; Q248-I250 HydrophobicContact CG-CG2 4.4Å; I250-I252 HydrophobicContact CD1-CD1 3.74Å; I250-I252 HydrophobicContact CG1-CD1 4.02Å
251T97.2Very high96.7Very high41 Ų4142.2 Ų42.225%0.25224%0.236SC..EExtended strand (participates in β ladder)trans-111.5121.1-179.4-56.30000110.4R198 Y200 E239R198-T251 PolarHBondContact NE-O 3.43Å; Y200-T251 WeakPolarHBondContact CE2-O 3.46Å; Y200-T251 PolarHBondContact OH-N 3.38Å; E239-T251 HydrophobicContact CB-CG2 3.79Å; E239-T251 HydrophobicContact CG-CG2 4.24Å
252I97.7Very high96.7Very high0 Ų038.3 Ų38.30%021%0.209CC..EExtended strand (participates in β ladder)trans-103.4122.2176.6-39.4-59.5000108.3L195 I214 L218 E239 K240 I250 E255 R256L195-I252 HydrophobicContact CD2-CD1 3.69Å; L195-I252 HydrophobicContact CD2-CG2 4.2Å; I214-I252 HydrophobicContact CG2-CD1 4.2Å; I214-I252 HydrophobicContact CG2-CG1 4Å; L218-I252 HydrophobicContact CD1-CB 4.34Å; L218-I252 HydrophobicContact CD1-CG1 3.83Å; E239-I252 WeakPolarHBondContact CA-O 3.35Å; K240-I252 PolarHBondContact N-O 2.8Å; K240-I252 PolarHBondContact O-N 3.43Å; I250-I252 HydrophobicContact CD1-CD1 3.74Å; I250-I252 HydrophobicContact CG1-CD1 4.02Å; I252-E255 HydrophobicContact CG2-CB 4.13Å; I252-R256 HydrophobicContact CB-CG 4.01Å; I252-R256 HydrophobicContact CG2-CG 3.54Å; I252-R256 WeakPolarHBondContact O-CD 3.46Å
253G97.1Very high96.8Very high3 Ų337 Ų373%0.03120%0.204CC..  trans-106.2-118-176.200000112E255 R256G253-E255 VanDerWaalsContact CA-OE2 3.28Å; G253-E255 WeakPolarHBondContact CA-OE2 3.39Å; G253-E255 PolarHBondContact N-OE2 2.9Å; G253-E255 PolarHBondContact O-N 2.84Å; G253-R256 WeakPolarHBondContact O-CB 3.35Å; G253-R256 WeakPolarHBondContact O-CD 3.3Å; G253-R256 WeakPolarHBondContact O-CG 3.14Å; G253-R256 PolarHBondContact O-N 3.47Å
254N97.5Very high96.8Very high37 Ų3730.9 Ų30.920%0.19818%0.175CC..THydrogen-bonded Turntrans-67.7-14.9-177.46727.5000114M229 A232 R256 F257 R258M229-N254 HydrophobicContact SD-CB 4.29Å; A232-N254 HydrophobicContact CB-CB 3.87Å; N254-R256 PolarHBondContact O-N 3.34Å; N254-R256 VanDerWaalsContact O-N 3.14Å; N254-F257 VanDerWaalsContact CA-CE1 3.49Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CZ 3.68Å; N254-F257 PolarHBondContact O-N 3.4Å; N254-R258 WeakPolarHBondContact O-CB 3.42Å; N254-R258 VanDerWaalsContact O-CG 3.29Å; N254-R258 WeakPolarHBondContact O-CG 3.42Å; N254-R258 PolarHBondContact O-N 2.82Å; N254-R258 WeakPolarHBondContact OD1-CD 3.1Å; N254-R258 PolarHBondContact OD1-NH1 2.9Å
255E98.2Very high97Very high7 Ų732.9 Ų32.93%0.03318%0.184CC..Hα-helixtrans-58.2-28.6175-56.780-173.300111.2L191 I194 L195 R198 I252 G253 F257 C259L191-E255 HydrophobicContact CD1-CB 4.02Å; I194-E255 HydrophobicContact CB-CG 4.32Å; I194-E255 HydrophobicContact CD1-CB 3.67Å; I194-E255 HydrophobicContact CD1-CG 3.96Å; I194-E255 HydrophobicContact CG1-CB 3.99Å; I194-E255 HydrophobicContact CG1-CG 3.86Å; L195-E255 HydrophobicContact CD2-CB 4.4Å; L195-E255 HydrophobicContact CD2-CG 4.27Å; R198-E255 WeakPolarHBondContact CD-OE1 3.46Å; R198-E255 IonicContact CZ-OE1 2.9Å; R198-E255 IonicContact CZ-OE2 3.89Å; R198-E255 IonicContact NE-OE1 3.66Å; R198-E255 IonicContact NH1-OE1 3.83Å; R198-E255 PolarHBondContact NH1-OE1 3.33Å; R198-E255 IonicContact NH1-OE2 3.1Å; R198-E255 PolarHBondContact NH1-OE2 3.47Å; R198-E255 VanDerWaalsContact NH1-OE2 3.1Å; I252-E255 HydrophobicContact CG2-CB 4.13Å; G253-E255 VanDerWaalsContact CA-OE2 3.28Å; G253-E255 WeakPolarHBondContact CA-OE2 3.39Å; G253-E255 PolarHBondContact N-OE2 2.9Å; G253-E255 PolarHBondContact O-N 2.84Å; E255-F257 VanDerWaalsContact C-N 3.27Å; E255-F257 PolarHBondContact O-N 2.94Å; E255-C259 VanDerWaalsContact O-CB 3.26Å; E255-C259 WeakPolarHBondContact O-CB 3.37Å; E255-C259 PolarHBondContact O-N 3.18Å
256R98.4Very high97.3Very high30 Ų3027.9 Ų27.911%0.11315%0.152CC..Hα-helixtrans-57-35.4179-64.1176.264.1-136.9-11.9113.4L218 C219 Y220 L238 K240 I252 G253 N254 P260L218-R256 HydrophobicContact CB-CG 4.45Å; L218-R256 VanDerWaalsContact O-CZ 3.27Å; L218-R256 PolarHBondContact O-NE 3.34Å; L218-R256 PolarHBondContact O-NH2 2.63Å; C219-R256 CarbonylContact C-O 3.51Å; C219-R256 WeakPolarHBondContact CA-O 3.32Å; C219-R256 WeakPolarHBondContact CB-O 3.48Å; C219-R256 PolarHBondContact SG-O 2.83Å; Y220-R256 HydrophobicContact CD1-CB 4.06Å; Y220-R256 HydrophobicContact CE1-CB 3.81Å; Y220-R256 PolarHBondContact N-O 3.36Å; L238-R256 PolarHBondContact O-NH1 2.87Å; K240-R256 VanDerWaalsContact CG-CZ 3.41Å; I252-R256 HydrophobicContact CB-CG 4.01Å; I252-R256 HydrophobicContact CG2-CG 3.54Å; I252-R256 WeakPolarHBondContact O-CD 3.46Å; G253-R256 WeakPolarHBondContact O-CB 3.35Å; G253-R256 WeakPolarHBondContact O-CD 3.3Å; G253-R256 WeakPolarHBondContact O-CG 3.14Å; G253-R256 PolarHBondContact O-N 3.47Å; N254-R256 PolarHBondContact O-N 3.34Å; N254-R256 VanDerWaalsContact O-N 3.14Å; R256-P260 WeakPolarHBondContact O-CD 3.45Å
257F98.6Very high97.6Very high0 Ų026 Ų260%015%0.148CC..Hα-helixtrans-111.9-23179.464.2-94000113.1Y220 A222 F225 E228 M229 A232 L238 N254 E255 C259 P260 E261Y220-F257 HydrophobicContact CD1-CB 4.46Å; Y220-F257 HydrophobicContact CD2-CB 4.31Å; Y220-F257 HydrophobicContact CE1-CB 4.11Å; Y220-F257 HydrophobicContact CE1-CD1 4.13Å; Y220-F257 HydrophobicContact CE2-CB 3.97Å; Y220-F257 HydrophobicContact CE2-CD1 4.46Å; Y220-F257 AromaticContact CZ-CD1 3.72Å; Y220-F257 VanDerWaalsContact O-CA 3.27Å; Y220-F257 WeakPolarHBondContact O-CA 3.48Å; Y220-F257 WeakPolarHBondContact O-CB 3.45Å; Y220-F257 VanDerWaalsContact OH-CD1 3.29Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.32Å; A222-F257 HydrophobicContact CB-CB 4.34Å; A222-F257 HydrophobicContact CB-CD2 4.4Å; F225-F257 AromaticContact CD2-CD2 3.77Å; F225-F257 HydrophobicContact CD2-CD2 3.77Å; F225-F257 HydrophobicContact CD2-CE2 4.07Å; F225-F257 AromaticContact CE2-CD2 3.66Å; F225-F257 HydrophobicContact CE2-CD2 3.66Å; F225-F257 AromaticContact CE2-CE2 3.81Å; F225-F257 HydrophobicContact CE2-CE2 3.81Å; E228-F257 HydrophobicContact CB-CD2 4.19Å; E228-F257 HydrophobicContact CB-CE2 3.85Å; E228-F257 HydrophobicContact CB-CZ 4.05Å; E228-F257 HydrophobicContact CG-CD1 3.82Å; E228-F257 HydrophobicContact CG-CD2 3.9Å; E228-F257 HydrophobicContact CG-CE1 3.67Å; E228-F257 HydrophobicContact CG-CE2 3.77Å; E228-F257 HydrophobicContact CG-CG 3.92Å; E228-F257 HydrophobicContact CG-CZ 3.65Å; M229-F257 HydrophobicContact CG-CE2 3.8Å; M229-F257 HydrophobicContact CG-CZ 4.28Å; M229-F257 HydrophobicContact SD-CE2 3.49Å; M229-F257 WeakPolarHBondContact SD-CE2 3.36Å; M229-F257 HydrophobicContact SD-CZ 3.69Å; A232-F257 HydrophobicContact CB-CE1 4.14Å; A232-F257 HydrophobicContact CB-CZ 4.02Å; L238-F257 HydrophobicContact CD1-CE1 4.33Å; N254-F257 VanDerWaalsContact CA-CE1 3.49Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CZ 3.68Å; N254-F257 PolarHBondContact O-N 3.4Å; E255-F257 VanDerWaalsContact C-N 3.27Å; E255-F257 PolarHBondContact O-N 2.94Å; F257-C259 VanDerWaalsContact C-N 3.31Å; F257-C259 PolarHBondContact O-N 2.84Å; F257-P260 WeakPolarHBondContact O-CD 3.44Å; F257-E261 WeakPolarHBondContact O-CB 3.24Å; F257-E261 PolarHBondContact O-N 3.35Å; F257-E261 VanDerWaalsContact O-N 3.17Å
258R98.4Very high97.7Very high51 Ų5126.9 Ų26.919%0.19214%0.141CC..Hα-helixtrans-61.9-37.4168.8-71.6172.964.5-152.5-3.4112.7Y190 I194 E197 F225 M229 N254 E261Y190-R258 WeakPolarHBondContact CE1-O 3.34Å; I194-R258 HydrophobicContact CD1-CB 4.3Å; E197-R258 IonicContact OE2-NH2 3.94Å; F225-R258 HydrophobicContact CE2-CG 3.94Å; F225-R258 HydrophobicContact CZ-CG 3.99Å; M229-R258 HydrophobicContact SD-CG 3.8Å; N254-R258 WeakPolarHBondContact O-CB 3.42Å; N254-R258 VanDerWaalsContact O-CG 3.29Å; N254-R258 WeakPolarHBondContact O-CG 3.42Å; N254-R258 PolarHBondContact O-N 2.82Å; N254-R258 WeakPolarHBondContact OD1-CD 3.1Å; N254-R258 PolarHBondContact OD1-NH1 2.9Å; R258-E261 PolarHBondContact O-N 3.01Å
259C98.6Very high97.8Very high0 Ų024.6 Ų24.60%013%0.131CC..Hα-helixtrans-57.9-61.8178.4170.50000112.1L187 L191 I194 E255 F257 E261 T262L187-C259 PolarHBondContact O-SG 2.71Å; L187-C259 VanDerWaalsContact O-SG 3.32Å; L191-C259 HydrophobicContact CB-CB 4.29Å; L191-C259 HydrophobicContact CD1-CB 4.03Å; I194-C259 HydrophobicContact CD1-CB 4.32Å; E255-C259 VanDerWaalsContact O-CB 3.26Å; E255-C259 WeakPolarHBondContact O-CB 3.37Å; E255-C259 PolarHBondContact O-N 3.18Å; F257-C259 VanDerWaalsContact C-N 3.31Å; F257-C259 PolarHBondContact O-N 2.84Å; C259-E261 VanDerWaalsContact C-N 3.26Å; C259-E261 PolarHBondContact O-N 3.08Å; C259-T262 WeakPolarHBondContact O-CB 3.47Å; C259-T262 WeakPolarHBondContact O-CG2 3.35Å; C259-T262 PolarHBondContact O-N 2.88Å; C259-T262 PolarHBondContact O-OG1 3.41Å
260P98.6Very high97.8Very high0 Ų023.6 Ų23.60%014%0.138CC..Hα-helixtrans-72.2-13.2-179.430.3-37.3000114.3C219 Y220 V221 R256 F257 T262 L263 Y308C219-P260 HydrophobicContact CB-CG 4.38Å; Y220-P260 WeakPolarHBondContact O-CG 3.27Å; V221-P260 HydrophobicContact CG2-CB 3.83Å; V221-P260 HydrophobicContact CG2-CG 4.21Å; R256-P260 WeakPolarHBondContact O-CD 3.45Å; F257-P260 WeakPolarHBondContact O-CD 3.44Å; P260-T262 PolarHBondContact O-N 2.89Å; P260-L263 WeakPolarHBondContact O-CB 3.42Å; P260-L263 PolarHBondContact O-N 2.87Å; P260-L263 VanDerWaalsContact O-N 3.11Å; P260-Y308 HydrophobicContact CB-CD1 4.32Å; P260-Y308 HydrophobicContact CB-CD2 3.78Å; P260-Y308 HydrophobicContact CB-CE1 4.34Å; P260-Y308 HydrophobicContact CB-CE2 3.78Å; P260-Y308 HydrophobicContact CB-CG 4.06Å
261E98.7Very high97.7Very high0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-59.5-27.7171-172.363.9-161.200112F225 F257 R258 C259 L263 F264 Q265 F268 R314F225-E261 HydrophobicContact CB-CG 4.46Å; F225-E261 HydrophobicContact CD1-CG 4.18Å; F225-E261 HydrophobicContact CD2-CB 3.79Å; F225-E261 HydrophobicContact CD2-CG 3.49Å; F225-E261 VanDerWaalsContact CD2-CG 3.49Å; F225-E261 HydrophobicContact CE1-CG 4.32Å; F225-E261 HydrophobicContact CE2-CB 3.73Å; F225-E261 HydrophobicContact CE2-CG 3.68Å; F225-E261 HydrophobicContact CG-CG 3.77Å; F225-E261 HydrophobicContact CZ-CB 4.43Å; F225-E261 HydrophobicContact CZ-CG 4.09Å; F257-E261 WeakPolarHBondContact O-CB 3.24Å; F257-E261 PolarHBondContact O-N 3.35Å; F257-E261 VanDerWaalsContact O-N 3.17Å; R258-E261 PolarHBondContact O-N 3.01Å; C259-E261 VanDerWaalsContact C-N 3.26Å; C259-E261 PolarHBondContact O-N 3.08Å; E261-L263 PolarHBondContact O-N 3.36Å; E261-L263 VanDerWaalsContact O-N 3.09Å; E261-F264 CarbonylContact O-C 3.59Å; E261-F264 WeakPolarHBondContact O-CA 3.4Å; E261-F264 PolarHBondContact O-N 3.09Å; E261-Q265 HydrophobicContact CG-CG 4.27Å; E261-Q265 PolarHBondContact O-N 2.87Å; E261-Q265 PolarHBondContact OE1-NE2 3.19Å; E261-F268 HydrophobicContact CB-CE2 4.01Å; E261-F268 HydrophobicContact CG-CE2 3.8Å; E261-F268 HydrophobicContact CG-CZ 4.21Å; E261-R314 IonicContact OE1-CZ 2.75Å; E261-R314 IonicContact OE1-NH1 2.71Å; E261-R314 PolarHBondContact OE1-NH1 3.14Å; E261-R314 IonicContact OE1-NH2 3.03Å; E261-R314 PolarHBondContact OE1-NH2 3.39Å; E261-R314 IonicContact OE2-CZ 2.86Å; E261-R314 IonicContact OE2-NH1 3.06Å; E261-R314 PolarHBondContact OE2-NH1 2.92Å; E261-R314 IonicContact OE2-NH2 3.35Å
262T98.2Very high97.6Very high0 Ų034 Ų340%019%0.185CC..THydrogen-bonded Turntrans-55.3-26.9174.253.90000113.6L182 L187 Y190 C259 P260 F264 Q265 P266 F268 I269L182-T262 WeakPolarHBondContact CD2-O 3.46Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.27Å; Y190-T262 HydrophobicContact CD1-CG2 3.32Å; Y190-T262 HydrophobicContact CE1-CG2 3.35Å; Y190-T262 HydrophobicContact CG-CG2 3.94Å; C259-T262 WeakPolarHBondContact O-CB 3.47Å; C259-T262 WeakPolarHBondContact O-CG2 3.35Å; C259-T262 PolarHBondContact O-N 2.88Å; C259-T262 PolarHBondContact O-OG1 3.41Å; P260-T262 PolarHBondContact O-N 2.89Å; T262-F264 PolarHBondContact O-N 3.3Å; T262-Q265 WeakPolarHBondContact CA-O 3.5Å; T262-Q265 CarbonylContact O-C 3.57Å; T262-Q265 PolarHBondContact O-N 2.77Å; T262-P266 WeakPolarHBondContact O-CA 3.48Å; T262-P266 VanDerWaalsContact O-N 3.13Å; T262-F268 HydrophobicContact CG2-CB 3.66Å; T262-F268 HydrophobicContact CG2-CD2 4.18Å; T262-F268 HydrophobicContact CG2-CG 4.41Å; T262-I269 HydrophobicContact CG2-CG2 4.01Å
263L98.6Very high97.5Very high2 Ų236 Ų361%0.0120%0.199CC..THydrogen-bonded Turntrans-63.6-33.4173.3-66.1173.7000111.7L182 L187 P260 E261 G275 I276 T305 Y308 I311L182-L263 HydrophobicContact CG-CD2 4.48Å; L187-L263 HydrophobicContact CD1-CD1 4.18Å; L187-L263 HydrophobicContact CD1-CD2 4.15Å; L187-L263 HydrophobicContact CD1-CG 4.12Å; L187-L263 HydrophobicContact CD2-CD2 4.31Å; L187-L263 HydrophobicContact CD2-CG 4.29Å; P260-L263 WeakPolarHBondContact O-CB 3.42Å; P260-L263 PolarHBondContact O-N 2.87Å; P260-L263 VanDerWaalsContact O-N 3.11Å; E261-L263 PolarHBondContact O-N 3.36Å; E261-L263 VanDerWaalsContact O-N 3.09Å; L263-G275 CarbonylContact O-C 3.6Å; L263-G275 VanDerWaalsContact O-CA 3.27Å; L263-G275 WeakPolarHBondContact O-CA 3.31Å; L263-I276 HydrophobicContact CB-CD1 3.92Å; L263-I276 HydrophobicContact CB-CG1 4.11Å; L263-I276 HydrophobicContact CB-CG2 4.2Å; L263-I276 HydrophobicContact CD1-CD1 4.41Å; L263-I276 HydrophobicContact CD2-CG2 4.39Å; L263-I276 PolarHBondContact O-N 3.2Å; L263-T305 HydrophobicContact CD1-CG2 3.92Å; L263-T305 HydrophobicContact CD2-CG2 4.03Å; L263-Y308 HydrophobicContact CD1-CD2 4.27Å; L263-Y308 HydrophobicContact CD1-CE2 4.18Å; L263-I311 HydrophobicContact CD1-CD1 4.45Å
264F98.6Very high97.6Very high4 Ų437.2 Ų37.22%0.01821%0.209CC..THydrogen-bonded Turntrans-90.9-32.1177.3-61.2-91.1000111.4V221 E261 T262 I276 H277 I311 R314 M315 E318V221-F264 HydrophobicContact CG1-CE2 3.67Å; V221-F264 HydrophobicContact CG1-CZ 4.14Å; V221-F264 HydrophobicContact CG2-CE2 4.2Å; E261-F264 CarbonylContact O-C 3.59Å; E261-F264 WeakPolarHBondContact O-CA 3.4Å; E261-F264 PolarHBondContact O-N 3.09Å; T262-F264 PolarHBondContact O-N 3.3Å; F264-I276 HydrophobicContact CD1-CG1 4.19Å; F264-I276 HydrophobicContact CE1-CD1 4.03Å; F264-I276 HydrophobicContact CE1-CG1 3.98Å; F264-I276 HydrophobicContact CE2-CD1 4.04Å; F264-I276 HydrophobicContact CZ-CD1 3.7Å; F264-I276 HydrophobicContact CZ-CG1 4.15Å; F264-H277 HydrophobicContact CD1-CB 4.23Å; F264-H277 AromaticContact CD1-CG 3.97Å; F264-H277 AromaticContact CD1-ND1 3.5Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.19Å; F264-H277 HydrophobicContact CE1-CB 4.31Å; F264-H277 PolarHBondContact O-CE1 2.78Å; F264-I311 HydrophobicContact CZ-CG1 4.31Å; F264-R314 HydrophobicContact CD1-CG 4.13Å; F264-R314 HydrophobicContact CE1-CB 4.42Å; F264-R314 HydrophobicContact CE1-CG 3.55Å; F264-R314 HydrophobicContact CE2-CG 3.98Å; F264-R314 HydrophobicContact CZ-CB 4.04Å; F264-R314 HydrophobicContact CZ-CG 3.46Å; F264-R314 VanDerWaalsContact CZ-CG 3.46Å; F264-M315 HydrophobicContact CE1-CG 4.31Å; F264-M315 HydrophobicContact CE1-SD 3.85Å; F264-M315 HydrophobicContact CZ-CG 4.29Å; F264-M315 HydrophobicContact CZ-SD 4.3Å; F264-E318 HydrophobicContact CD1-CG 4.17Å; F264-E318 HydrophobicContact CE1-CG 4.21Å
265Q98.1Very high97.6Very high60 Ų6035.5 Ų35.528%0.2820%0.2SC..  trans-126.178.6-179.5-57.2-174.431.100111.2E261 T262 S267 F268E261-Q265 HydrophobicContact CG-CG 4.27Å; E261-Q265 PolarHBondContact O-N 2.87Å; E261-Q265 PolarHBondContact OE1-NE2 3.19Å; T262-Q265 WeakPolarHBondContact CA-O 3.5Å; T262-Q265 CarbonylContact O-C 3.57Å; T262-Q265 PolarHBondContact O-N 2.77Å; Q265-S267 PolarHBondContact O-N 2.97Å; Q265-F268 HydrophobicContact CB-CD1 4.21Å; Q265-F268 HydrophobicContact CB-CE1 4.19Å; Q265-F268 PolarHBondContact O-N 3.34Å; Q265-F268 VanDerWaalsContact O-N 3.14Å
266P98.1Very high97.6Very high4 Ų435.3 Ų35.33%0.02620%0.199CC..G310 helixtrans-59.5-18.3-179.8-27.437.9000114.2L182 T262 F268 I269 M271 S273L182-P266 HydrophobicContact CD2-CB 3.93Å; L182-P266 HydrophobicContact CD2-CG 3.91Å; T262-P266 WeakPolarHBondContact O-CA 3.48Å; T262-P266 VanDerWaalsContact O-N 3.13Å; P266-F268 PolarHBondContact O-N 3.12Å; P266-F268 VanDerWaalsContact O-N 3.13Å; P266-I269 WeakPolarHBondContact O-CG1 3.43Å; P266-I269 PolarHBondContact O-N 3.4Å; P266-I269 VanDerWaalsContact O-N 3.11Å; P266-M271 CarbonylContact C-O 3.54Å; P266-M271 HydrophobicContact CB-CB 3.75Å; P266-M271 PolarHBondContact O-N 3.39Å; P266-M271 VanDerWaalsContact O-N 3.14Å; P266-S273 WeakPolarHBondContact CB-OG 3.25Å; P266-S273 WeakPolarHBondContact CG-O 3.49Å
267S97.6Very high97.6Very high77 Ų7734.7 Ų34.754%0.53820%0.197SC..G310 helixtrans-57.8-24.4174.9600000113.8Q265 I269 G270 M271Q265-S267 PolarHBondContact O-N 2.97Å; S267-I269 PolarHBondContact O-N 3.48Å; S267-G270 PolarHBondContact O-N 2.84Å; S267-M271 WeakPolarHBondContact CA-O 3.5Å; S267-M271 PolarHBondContact N-O 3.04Å
268F95.6Very high97.6Very high59 Ų5938.5 Ų38.526%0.25922%0.215SC..G310 helixtrans-60.8-24.8176.3-81.417.8000113.4Y190 F225 E261 T262 Q265 P266Y190-F268 HydrophobicContact CE1-CD2 4.49Å; Y190-F268 HydrophobicContact CE2-CB 4.47Å; F225-F268 HydrophobicContact CE1-CE2 4.3Å; F225-F268 AromaticContact CE1-CZ 3.9Å; F225-F268 HydrophobicContact CE1-CZ 3.9Å; F225-F268 HydrophobicContact CE2-CE2 4.45Å; F225-F268 AromaticContact CZ-CE2 3.84Å; F225-F268 HydrophobicContact CZ-CE2 3.84Å; F225-F268 AromaticContact CZ-CZ 3.9Å; F225-F268 HydrophobicContact CZ-CZ 3.9Å; E261-F268 HydrophobicContact CB-CE2 4.01Å; E261-F268 HydrophobicContact CG-CE2 3.8Å; E261-F268 HydrophobicContact CG-CZ 4.21Å; T262-F268 HydrophobicContact CG2-CB 3.66Å; T262-F268 HydrophobicContact CG2-CD2 4.18Å; T262-F268 HydrophobicContact CG2-CG 4.41Å; Q265-F268 HydrophobicContact CB-CD1 4.21Å; Q265-F268 HydrophobicContact CB-CE1 4.19Å; Q265-F268 PolarHBondContact O-N 3.34Å; Q265-F268 VanDerWaalsContact O-N 3.14Å; P266-F268 PolarHBondContact O-N 3.12Å; P266-F268 VanDerWaalsContact O-N 3.13Å
269I96.6Very high97.7Very high54 Ų5436.4 Ų36.428%0.27721%0.208SC..G310 helixtrans-109.414.2174.456169.8000112.3L182 Y190 T262 P266 S267 M271L182-I269 HydrophobicContact CD1-CD1 3.46Å; L182-I269 VanDerWaalsContact CD1-CD1 3.46Å; L182-I269 HydrophobicContact CD2-CD1 4.25Å; L182-I269 HydrophobicContact CG-CD1 4.39Å; Y190-I269 HydrophobicContact CD1-CG2 4.47Å; Y190-I269 HydrophobicContact CD2-CG2 3.48Å; Y190-I269 VanDerWaalsContact CD2-CG2 3.48Å; Y190-I269 HydrophobicContact CE2-CG2 4.2Å; Y190-I269 HydrophobicContact CG-CG2 3.63Å; T262-I269 HydrophobicContact CG2-CG2 4.01Å; P266-I269 WeakPolarHBondContact O-CG1 3.43Å; P266-I269 PolarHBondContact O-N 3.4Å; P266-I269 VanDerWaalsContact O-N 3.11Å; S267-I269 PolarHBondContact O-N 3.48Å; I269-M271 HydrophobicContact CD1-CG 4.03Å; I269-M271 HydrophobicContact CD1-SD 3.45Å; I269-M271 WeakPolarHBondContact CD1-SD 3.44Å; I269-M271 HydrophobicContact CG1-CB 4.45Å; I269-M271 HydrophobicContact CG1-CG 3.98Å; I269-M271 HydrophobicContact CG1-SD 4.06Å
270G96.2Very high97.7Very high65 Ų6536.5 Ų36.567%0.6721%0.208SC*.THydrogen-bonded Turntrans77.317.6179.100000114.5S267S267-G270 PolarHBondContact O-N 2.84Å
271M96Very high97.7Very high57 Ų5739.2 Ų39.228%0.28122%0.219SC..  trans-89.9131174.6-66.5179.674.800110.9L180 L182 P266 S267 I269 S273L180-M271 HydrophobicContact CD1-CE 4.35Å; L182-M271 HydrophobicContact CB-CE 4.2Å; L182-M271 HydrophobicContact CB-SD 4.06Å; L182-M271 HydrophobicContact CD2-SD 4.44Å; P266-M271 CarbonylContact C-O 3.54Å; P266-M271 HydrophobicContact CB-CB 3.75Å; P266-M271 PolarHBondContact O-N 3.39Å; P266-M271 VanDerWaalsContact O-N 3.14Å; S267-M271 WeakPolarHBondContact CA-O 3.5Å; S267-M271 PolarHBondContact N-O 3.04Å; I269-M271 HydrophobicContact CD1-CG 4.03Å; I269-M271 HydrophobicContact CD1-SD 3.45Å; I269-M271 WeakPolarHBondContact CD1-SD 3.44Å; I269-M271 HydrophobicContact CG1-CB 4.45Å; I269-M271 HydrophobicContact CG1-CG 3.98Å; I269-M271 HydrophobicContact CG1-SD 4.06Å; M271-S273 PolarHBondContact O-N 2.99Å
272E95.3Very high97.7Very high203 Ų20342.1 Ų42.195%0.94924%0.235SC*.  trans-88.114.9175.9-61-173.1166.300113.1
273S95.5Very high97.7Very high42 Ų4242.1 Ų42.129%0.29424%0.235SC..SBendtrans-82.5153.2177.156.50000112.2L180 P266 M271L180-S273 WeakPolarHBondContact CD1-OG 3.14Å; P266-S273 WeakPolarHBondContact CB-OG 3.25Å; P266-S273 WeakPolarHBondContact CG-O 3.49Å; M271-S273 PolarHBondContact O-N 2.99Å
274A97.8Very high97.7Very high30 Ų3042 Ų4225%0.24823%0.234CC..  trans-65.6150.3170.300000112.2E278 T279A274-E278 HydrophobicContact CB-CB 3.85Å; A274-E278 WeakPolarHBondContact CB-OE2 3.12Å; A274-T279 HydrophobicContact CB-CG2 4.03Å
275G98.3Very high97.7Very high1 Ų144.2 Ų44.21%0.0125%0.245CC..  trans-72.2175.9177.300000114.2L263 H277 E278 T279L263-G275 CarbonylContact O-C 3.6Å; L263-G275 VanDerWaalsContact O-CA 3.27Å; L263-G275 WeakPolarHBondContact O-CA 3.31Å; G275-H277 VanDerWaalsContact C-N 3.34Å; G275-H277 PolarHBondContact O-N 2.98Å; G275-E278 PolarHBondContact O-N 2.91Å; G275-T279 WeakPolarHBondContact O-CB 3.17Å; G275-T279 WeakPolarHBondContact O-CG2 3.15Å; G275-T279 PolarHBondContact O-N 3.47Å; G275-T279 PolarHBondContact O-OG1 3.4Å
276I98.6Very high97.7Very high3 Ų346.5 Ų46.52%0.01525%0.254CS..Hα-helixtrans-60.1-40.5-177.157.6167.9000112.8L155 T162 L180 L263 F264 T279 T280 I311 M315L155-I276 HydrophobicContact CD1-CB 4.3Å; L155-I276 HydrophobicContact CD1-CG2 4.44Å; L155-I276 HydrophobicContact CD2-CB 4.14Å; L155-I276 HydrophobicContact CD2-CD1 4.1Å; T162-I276 HydrophobicContact CG2-CG2 4.02Å; L180-I276 HydrophobicContact CD2-CG2 4.27Å; L263-I276 HydrophobicContact CB-CD1 3.92Å; L263-I276 HydrophobicContact CB-CG1 4.11Å; L263-I276 HydrophobicContact CB-CG2 4.2Å; L263-I276 HydrophobicContact CD1-CD1 4.41Å; L263-I276 HydrophobicContact CD2-CG2 4.39Å; L263-I276 PolarHBondContact O-N 3.2Å; F264-I276 HydrophobicContact CD1-CG1 4.19Å; F264-I276 HydrophobicContact CE1-CD1 4.03Å; F264-I276 HydrophobicContact CE1-CG1 3.98Å; F264-I276 HydrophobicContact CE2-CD1 4.04Å; F264-I276 HydrophobicContact CZ-CD1 3.7Å; F264-I276 HydrophobicContact CZ-CG1 4.15Å; I276-T279 VanDerWaalsContact CA-OG1 3.31Å; I276-T279 WeakPolarHBondContact CA-OG1 3.49Å; I276-T279 PolarHBondContact O-N 3.04Å; I276-T279 PolarHBondContact O-OG1 2.92Å; I276-T280 WeakPolarHBondContact O-CB 3.44Å; I276-T280 PolarHBondContact O-N 3Å; I276-T280 PolarHBondContact O-OG1 3.39Å; I276-I311 HydrophobicContact CD1-CD1 4.23Å; I276-M315 HydrophobicContact CD1-SD 3.9Å; I276-M315 HydrophobicContact CG1-SD 3.96Å
277H98.7Very high97.7Very high17 Ų1746.4 Ų46.48%0.07925%0.254CS..Hα-helixtrans-64.6-48.1178.462.3-63.5000112.7F264 G275 T280 Y281 M315 E318 I319F264-H277 HydrophobicContact CD1-CB 4.23Å; F264-H277 AromaticContact CD1-CG 3.97Å; F264-H277 AromaticContact CD1-ND1 3.5Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.19Å; F264-H277 HydrophobicContact CE1-CB 4.31Å; F264-H277 PolarHBondContact O-CE1 2.78Å; G275-H277 VanDerWaalsContact C-N 3.34Å; G275-H277 PolarHBondContact O-N 2.98Å; H277-T280 PolarHBondContact O-N 3.37Å; H277-Y281 PolarHBondContact O-N 2.82Å; H277-M315 HydrophobicContact CB-SD 3.89Å; H277-E318 HydrophobicContact CB-CB 3.57Å; H277-E318 HydrophobicContact CB-CG 4.06Å; H277-E318 IonicContact CD2-OE2 2.88Å; H277-I319 HydrophobicContact CB-CD1 4.32Å; H277-I319 WeakPolarHBondContact O-CD1 3.31Å
278E98.6Very high97.7Very high79 Ų7948.2 Ų48.237%0.36926%0.257SS..Hα-helixtrans-64.2-42.1175.3-76.2178-129.600111.9A274 G275 T280 Y281 N282 L322A274-E278 HydrophobicContact CB-CB 3.85Å; A274-E278 WeakPolarHBondContact CB-OE2 3.12Å; G275-E278 PolarHBondContact O-N 2.91Å; E278-T280 PolarHBondContact O-N 3.15Å; E278-Y281 PolarHBondContact O-N 3.2Å; E278-N282 VanDerWaalsContact O-CB 3.26Å; E278-N282 WeakPolarHBondContact O-CB 3.48Å; E278-N282 PolarHBondContact O-N 2.9Å; E278-N282 PolarHBondContact O-ND2 3.43Å; E278-N282 VanDerWaalsContact O-ND2 3.14Å; E278-L322 HydrophobicContact CG-CD1 4.35Å
279T98.5Very high97.7Very high8 Ų851.4 Ų51.45%0.04928%0.276CS..Hα-helixtrans-66.8-35.6178.652.60000112.4N164 M178 A274 G275 I276 S283N164-T279 WeakPolarHBondContact ND2-CB 3.27Å; N164-T279 PolarHBondContact ND2-OG1 3.06Å; M178-T279 HydrophobicContact CE-CG2 4.39Å; A274-T279 HydrophobicContact CB-CG2 4.03Å; G275-T279 WeakPolarHBondContact O-CB 3.17Å; G275-T279 WeakPolarHBondContact O-CG2 3.15Å; G275-T279 PolarHBondContact O-N 3.47Å; G275-T279 PolarHBondContact O-OG1 3.4Å; I276-T279 VanDerWaalsContact CA-OG1 3.31Å; I276-T279 WeakPolarHBondContact CA-OG1 3.49Å; I276-T279 PolarHBondContact O-N 3.04Å; I276-T279 PolarHBondContact O-OG1 2.92Å; T279-S283 WeakPolarHBondContact O-CB 3.3Å; T279-S283 PolarHBondContact O-N 3.08Å
280T98.8Very high97.8Very high1 Ų155.8 Ų55.81%0.00630%0.3CS..Hα-helixtrans-61.2-50.7169.2-56.80000110.9I153 N164 I276 H277 E278 N282 S283 I284 N299 M315 I319I153-T280 HydrophobicContact CD1-CG2 4.02Å; I153-T280 HydrophobicContact CG2-CG2 4.45Å; N164-T280 VanDerWaalsContact OD1-CA 3.27Å; N164-T280 WeakPolarHBondContact OD1-CA 3.42Å; N164-T280 WeakPolarHBondContact OD1-CB 3.27Å; N164-T280 PolarHBondContact OD1-OG1 2.96Å; I276-T280 WeakPolarHBondContact O-CB 3.44Å; I276-T280 PolarHBondContact O-N 3Å; I276-T280 PolarHBondContact O-OG1 3.39Å; H277-T280 PolarHBondContact O-N 3.37Å; E278-T280 PolarHBondContact O-N 3.15Å; T280-N282 PolarHBondContact O-N 2.91Å; T280-S283 WeakPolarHBondContact O-CB 3.3Å; T280-S283 PolarHBondContact O-N 3.17Å; T280-I284 HydrophobicContact CG2-CD1 4.36Å; T280-I284 WeakPolarHBondContact O-CG1 3.15Å; T280-I284 PolarHBondContact O-N 3.39Å; T280-I284 VanDerWaalsContact O-N 3.1Å; T280-N299 VanDerWaalsContact CG2-OD1 3.25Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.49Å; T280-M315 HydrophobicContact CG2-CE 4.4Å; T280-I319 HydrophobicContact CG2-CD1 4.12Å
281Y98.6Very high97.9Very high57 Ų5753.6 Ų53.622%0.22427%0.272CS..Hα-helixtrans-58.6-47.6178.1172.2-93.6000112.3H277 E278 S283 I284 M285 Y296 L322H277-Y281 PolarHBondContact O-N 2.82Å; E278-Y281 PolarHBondContact O-N 3.2Å; Y281-S283 VanDerWaalsContact C-N 3.31Å; Y281-S283 PolarHBondContact O-N 3.45Å; Y281-I284 PolarHBondContact O-N 3.38Å; Y281-I284 VanDerWaalsContact O-N 3.15Å; Y281-M285 HydrophobicContact CD1-CG 4.05Å; Y281-M285 HydrophobicContact CD2-CE 4.46Å; Y281-M285 HydrophobicContact CD2-CG 4.46Å; Y281-M285 HydrophobicContact CE1-CG 3.55Å; Y281-M285 HydrophobicContact CE2-CE 3.72Å; Y281-M285 HydrophobicContact CE2-CG 4.02Å; Y281-M285 HydrophobicContact CE2-SD 4.44Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 WeakPolarHBondContact O-CG 3.31Å; Y281-M285 PolarHBondContact O-N 2.76Å; Y281-Y296 VanDerWaalsContact CD2-OH 3.3Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.5Å; Y281-Y296 VanDerWaalsContact CE2-OH 3.27Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.17Å; Y281-L322 HydrophobicContact CD2-CB 3.65Å; Y281-L322 HydrophobicContact CE2-CB 3.99Å; Y281-L322 WeakPolarHBondContact CE2-O 3.37Å; Y281-L322 HydrophobicContact CG-CB 4.02Å; Y281-L322 HydrophobicContact CG-CD1 4.18Å
282N98.6Very high98Very high61 Ų6153.2 Ų53.233%0.32627%0.268SS..Hα-helixtrans-62.9-37.5-179.9-72-26.9000111.8M178 E278 T280 M285 K286M178-N282 HydrophobicContact CE-CB 4.25Å; E278-N282 VanDerWaalsContact O-CB 3.26Å; E278-N282 WeakPolarHBondContact O-CB 3.48Å; E278-N282 PolarHBondContact O-N 2.9Å; E278-N282 PolarHBondContact O-ND2 3.43Å; E278-N282 VanDerWaalsContact O-ND2 3.14Å; T280-N282 PolarHBondContact O-N 2.91Å; N282-M285 PolarHBondContact O-N 2.73Å; N282-K286 WeakPolarHBondContact O-CG 3.41Å; N282-K286 PolarHBondContact O-N 3.13Å
283S98.6Very high98.1Very high0 Ų050.3 Ų50.30%025%0.252CS..Hα-helixtrans-61.4-46.4173.1-1780000111.4P166 A176 T279 T280 Y281 M285 K286 C287P166-S283 WeakPolarHBondContact CD-OG 3.21Å; P166-S283 WeakPolarHBondContact CG-OG 3.34Å; A176-S283 WeakPolarHBondContact O-CB 3.48Å; A176-S283 PolarHBondContact O-OG 3.22Å; T279-S283 WeakPolarHBondContact O-CB 3.3Å; T279-S283 PolarHBondContact O-N 3.08Å; T280-S283 WeakPolarHBondContact O-CB 3.3Å; T280-S283 PolarHBondContact O-N 3.17Å; Y281-S283 VanDerWaalsContact C-N 3.31Å; Y281-S283 PolarHBondContact O-N 3.45Å; S283-M285 VanDerWaalsContact C-N 3.31Å; S283-M285 PolarHBondContact O-N 2.73Å; S283-K286 PolarHBondContact O-N 3.32Å; S283-C287 PolarHBondContact O-SG 3.45Å
284I98.6Very high98.2Very high0 Ų051.4 Ų51.40%025%0.254CS..Hα-helixtrans-62.6-38.4175.4-61.8171000111.3I153 T280 Y281 K286 C287 R292 L295 Y296I153-I284 HydrophobicContact CD1-CD1 4.37Å; I153-I284 HydrophobicContact CD1-CG1 3.69Å; I153-I284 HydrophobicContact CG2-CD1 4.14Å; I153-I284 HydrophobicContact CG2-CG1 4.32Å; T280-I284 HydrophobicContact CG2-CD1 4.36Å; T280-I284 WeakPolarHBondContact O-CG1 3.15Å; T280-I284 PolarHBondContact O-N 3.39Å; T280-I284 VanDerWaalsContact O-N 3.1Å; Y281-I284 PolarHBondContact O-N 3.38Å; Y281-I284 VanDerWaalsContact O-N 3.15Å; I284-K286 VanDerWaalsContact C-N 3.28Å; I284-K286 PolarHBondContact O-N 3.48Å; I284-C287 WeakPolarHBondContact O-CB 3.49Å; I284-C287 PolarHBondContact O-N 2.79Å; I284-C287 VanDerWaalsContact O-N 3.16Å; I284-R292 HydrophobicContact CG2-CB 3.89Å; I284-R292 HydrophobicContact CG2-CG 3.96Å; I284-R292 PolarHBondContact O-NE 2.9Å; I284-L295 HydrophobicContact CD1-CB 4.42Å; I284-L295 HydrophobicContact CG1-CB 4.11Å; I284-L295 HydrophobicContact CG1-CD1 4.48Å; I284-L295 HydrophobicContact CG2-CB 4.28Å; I284-L295 HydrophobicContact CG2-CD1 4.36Å; I284-Y296 HydrophobicContact CB-CE1 4.49Å; I284-Y296 HydrophobicContact CD1-CD1 3.49Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.49Å; I284-Y296 HydrophobicContact CD1-CE1 3.47Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.47Å; I284-Y296 HydrophobicContact CD1-CG 4.22Å; I284-Y296 HydrophobicContact CG2-CD1 4.5Å; I284-Y296 HydrophobicContact CG2-CD2 4.16Å; I284-Y296 HydrophobicContact CG2-CE1 4.12Å; I284-Y296 HydrophobicContact CG2-CE2 3.75Å
285M98.2Very high98.2Very high51 Ų5150 Ų5025%0.25124%0.243SC..Hα-helixtrans-70.8-20.3179.1-73.6-64.5135.500114Y281 N282 S283 C287 R292 Y296Y281-M285 HydrophobicContact CD1-CG 4.05Å; Y281-M285 HydrophobicContact CD2-CE 4.46Å; Y281-M285 HydrophobicContact CD2-CG 4.46Å; Y281-M285 HydrophobicContact CE1-CG 3.55Å; Y281-M285 HydrophobicContact CE2-CE 3.72Å; Y281-M285 HydrophobicContact CE2-CG 4.02Å; Y281-M285 HydrophobicContact CE2-SD 4.44Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 WeakPolarHBondContact O-CG 3.31Å; Y281-M285 PolarHBondContact O-N 2.76Å; N282-M285 PolarHBondContact O-N 2.73Å; S283-M285 VanDerWaalsContact C-N 3.31Å; S283-M285 PolarHBondContact O-N 2.73Å; M285-C287 VanDerWaalsContact C-N 3.32Å; M285-R292 PolarHBondContact O-NH2 3.12Å; M285-R292 PolarHBondContact SD-NH1 3.35Å; M285-Y296 HydrophobicContact CE-CE2 4.16Å; M285-Y296 WeakPolarHBondContact CE-OH 3.48Å
286K98.4Very high98.2Very high107 Ų10749.9 Ų49.947%0.46524%0.242SC..Hα-helixtrans-77.5-18.5171.2-75.3178.4174.9-1740113.2A176 M178 N282 S283 I284A176-K286 HydrophobicContact CB-CB 3.76Å; M178-K286 HydrophobicContact SD-CD 4.15Å; M178-K286 PolarHBondContact SD-NZ 3.01Å; N282-K286 WeakPolarHBondContact O-CG 3.41Å; N282-K286 PolarHBondContact O-N 3.13Å; S283-K286 PolarHBondContact O-N 3.32Å; I284-K286 VanDerWaalsContact C-N 3.28Å; I284-K286 PolarHBondContact O-N 3.48Å
287C98.4Very high98.2Very high2 Ų251 Ų511%0.01425%0.252CS..SBendtrans-80.8160177.8-64.30000112.3A176 S283 I284 M285 I291 R292 L295A176-C287 WeakPolarHBondContact CB-SG 3.21Å; S283-C287 PolarHBondContact O-SG 3.45Å; I284-C287 WeakPolarHBondContact O-CB 3.49Å; I284-C287 PolarHBondContact O-N 2.79Å; I284-C287 VanDerWaalsContact O-N 3.16Å; M285-C287 VanDerWaalsContact C-N 3.32Å; C287-I291 HydrophobicContact CB-CD1 3.88Å; C287-I291 HydrophobicContact CB-CG1 4.04Å; C287-R292 VanDerWaalsContact O-CZ 3.28Å; C287-R292 PolarHBondContact O-NE 3.36Å; C287-R292 PolarHBondContact O-NH2 2.89Å; C287-L295 HydrophobicContact CB-CD1 3.78Å; C287-L295 VanDerWaalsContact SG-CD1 3.6Å
288D97.6Very high98.2Very high116 Ų11651.8 Ų51.862%0.6226%0.256SS*.  trans-58.7143.8174.9-65.6-31.4000111.9D290 I291 R292D288-D290 PolarHBondContact O-N 3.3Å; D288-I291 HydrophobicContact CB-CG1 4.38Å; D288-I291 VanDerWaalsContact O-CG1 3.23Å; D288-I291 WeakPolarHBondContact O-CG1 3.35Å; D288-I291 PolarHBondContact O-N 3.24Å; D288-R292 WeakPolarHBondContact O-CG 3.4Å
289I96.9Very high98.2Very high125 Ų12548.2 Ų48.264%0.64124%0.24SC*.Hα-helixtrans-56.3-39.5-173.4-67.2171.9000111.7I291 R292I289-I291 VanDerWaalsContact C-N 3.25Å; I289-I291 PolarHBondContact O-N 3.32Å; I289-R292 PolarHBondContact O-N 3.1Å
290D97.2Very high98.2Very high146 Ų14647.9 Ų47.978%0.78124%0.238SC*.Hα-helixtrans-64.9-28.8-173.7-63.9-24.8000112.9D288D288-D290 PolarHBondContact O-N 3.3Å
291I97.8Very high98.2Very high19 Ų1947.9 Ų47.910%0.09724%0.238CC..Hα-helixtrans-94.8-13.8-177.367.5166.7000113.2Y168 L173 C287 D288 I289 K293 D294 L295Y168-I291 HydrophobicContact CD2-CB 3.87Å; Y168-I291 HydrophobicContact CD2-CD1 4.31Å; Y168-I291 HydrophobicContact CD2-CG2 3.55Å; Y168-I291 HydrophobicContact CE2-CB 3.99Å; Y168-I291 HydrophobicContact CE2-CG2 3.34Å; Y168-I291 HydrophobicContact CG-CD1 4.49Å; Y168-I291 HydrophobicContact CG-CG2 4.27Å; L173-I291 HydrophobicContact CD1-CD1 3.49Å; L173-I291 VanDerWaalsContact CD1-CD1 3.49Å; C287-I291 HydrophobicContact CB-CD1 3.88Å; C287-I291 HydrophobicContact CB-CG1 4.04Å; D288-I291 HydrophobicContact CB-CG1 4.38Å; D288-I291 VanDerWaalsContact O-CG1 3.23Å; D288-I291 WeakPolarHBondContact O-CG1 3.35Å; D288-I291 PolarHBondContact O-N 3.24Å; I289-I291 VanDerWaalsContact C-N 3.25Å; I289-I291 PolarHBondContact O-N 3.32Å; I291-K293 VanDerWaalsContact C-N 3.26Å; I291-K293 PolarHBondContact O-N 3.46Å; I291-D294 PolarHBondContact O-N 3.17Å; I291-L295 HydrophobicContact CD1-CD1 4.29Å; I291-L295 HydrophobicContact CG1-CD1 4.33Å; I291-L295 WeakPolarHBondContact O-CG 3.39Å; I291-L295 PolarHBondContact O-N 3.46Å; I291-L295 VanDerWaalsContact O-N 3.13Å
292R98.3Very high98.2Very high50 Ų5045.2 Ų45.219%0.18923%0.227CC..Hα-helixtrans-59.9-35.5-174.8-61.3-173.9-171.7179.7-0.4113I284 M285 C287 D288 I289 D294 L295 Y296I284-R292 HydrophobicContact CG2-CB 3.89Å; I284-R292 HydrophobicContact CG2-CG 3.96Å; I284-R292 PolarHBondContact O-NE 2.9Å; M285-R292 PolarHBondContact O-NH2 3.12Å; M285-R292 PolarHBondContact SD-NH1 3.35Å; C287-R292 VanDerWaalsContact O-CZ 3.28Å; C287-R292 PolarHBondContact O-NE 3.36Å; C287-R292 PolarHBondContact O-NH2 2.89Å; D288-R292 WeakPolarHBondContact O-CG 3.4Å; I289-R292 PolarHBondContact O-N 3.1Å; R292-D294 VanDerWaalsContact C-N 3.28Å; R292-D294 PolarHBondContact O-N 3.42Å; R292-L295 PolarHBondContact O-N 2.79Å; R292-Y296 HydrophobicContact CB-CD2 4.39Å; R292-Y296 HydrophobicContact CB-CE2 4.35Å; R292-Y296 WeakPolarHBondContact O-CB 3.39Å; R292-Y296 WeakPolarHBondContact O-CD2 3.49Å; R292-Y296 PolarHBondContact O-N 3.44Å
293K98Very high98.1Very high142 Ų14242.6 Ų42.662%0.61722%0.215SC*.Hα-helixtrans-58.4-43.2177.4179.9-175.1172.3-1710111.2I291 A297 M327I291-K293 VanDerWaalsContact C-N 3.26Å; I291-K293 PolarHBondContact O-N 3.46Å; K293-A297 WeakPolarHBondContact O-CB 3.34Å; K293-A297 PolarHBondContact O-N 3.25Å; K293-A297 VanDerWaalsContact O-N 3.09Å; K293-M327 HydrophobicContact CB-SD 4.19Å
294D97.8Very high98.1Very high64 Ų6444.7 Ų44.734%0.34224%0.236SC..Hα-helixtrans-73.3-36.8-179.4-65.2-25.7000111.4T151 I291 R292 A297 N298T151-D294 HydrophobicContact CG2-CB 3.8Å; I291-D294 PolarHBondContact O-N 3.17Å; R292-D294 VanDerWaalsContact C-N 3.28Å; R292-D294 PolarHBondContact O-N 3.42Å; D294-A297 PolarHBondContact O-N 3Å; D294-N298 WeakPolarHBondContact O-CB 3.18Å; D294-N298 PolarHBondContact O-N 2.88Å; D294-N298 VanDerWaalsContact O-N 3.14Å; D294-N298 PolarHBondContact O-ND2 3.26Å
295L98.4Very high98.1Very high0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-62.1-46.5173.4-59.8179.8000111.2G152 I153 P166 I284 C287 I291 R292 A297 N298 N299G152-L295 VanDerWaalsContact C-CD2 3.45Å; G152-L295 WeakPolarHBondContact O-CD2 3.31Å; I153-L295 HydrophobicContact CB-CD2 4.49Å; P166-L295 HydrophobicContact CB-CD1 4.06Å; P166-L295 HydrophobicContact CB-CD2 4.23Å; I284-L295 HydrophobicContact CD1-CB 4.42Å; I284-L295 HydrophobicContact CG1-CB 4.11Å; I284-L295 HydrophobicContact CG1-CD1 4.48Å; I284-L295 HydrophobicContact CG2-CB 4.28Å; I284-L295 HydrophobicContact CG2-CD1 4.36Å; C287-L295 HydrophobicContact CB-CD1 3.78Å; C287-L295 VanDerWaalsContact SG-CD1 3.6Å; I291-L295 HydrophobicContact CD1-CD1 4.29Å; I291-L295 HydrophobicContact CG1-CD1 4.33Å; I291-L295 WeakPolarHBondContact O-CG 3.39Å; I291-L295 PolarHBondContact O-N 3.46Å; I291-L295 VanDerWaalsContact O-N 3.13Å; R292-L295 PolarHBondContact O-N 2.79Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 2.81Å; L295-N298 CarbonylContact O-C 3.49Å; L295-N298 VanDerWaalsContact O-C 3.31Å; L295-N298 PolarHBondContact O-N 2.96Å; L295-N298 VanDerWaalsContact O-N 3.14Å; L295-N299 PolarHBondContact O-ND2 3.46Å; L295-N299 VanDerWaalsContact O-ND2 3.08Å
296Y98.5Very high98.1Very high0 Ų042.6 Ų42.60%023%0.227CC..Hα-helixtrans-62.2-36.6176.4-80.5-52.8000113.6Y281 I284 M285 R292 N298 N299 I319 A323 M327 K328 I329 K330Y281-Y296 VanDerWaalsContact CD2-OH 3.3Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.5Å; Y281-Y296 VanDerWaalsContact CE2-OH 3.27Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.17Å; I284-Y296 HydrophobicContact CB-CE1 4.49Å; I284-Y296 HydrophobicContact CD1-CD1 3.49Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.49Å; I284-Y296 HydrophobicContact CD1-CE1 3.47Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.47Å; I284-Y296 HydrophobicContact CD1-CG 4.22Å; I284-Y296 HydrophobicContact CG2-CD1 4.5Å; I284-Y296 HydrophobicContact CG2-CD2 4.16Å; I284-Y296 HydrophobicContact CG2-CE1 4.12Å; I284-Y296 HydrophobicContact CG2-CE2 3.75Å; M285-Y296 HydrophobicContact CE-CE2 4.16Å; M285-Y296 WeakPolarHBondContact CE-OH 3.48Å; R292-Y296 HydrophobicContact CB-CD2 4.39Å; R292-Y296 HydrophobicContact CB-CE2 4.35Å; R292-Y296 WeakPolarHBondContact O-CB 3.39Å; R292-Y296 WeakPolarHBondContact O-CD2 3.49Å; R292-Y296 PolarHBondContact O-N 3.44Å; Y296-N298 PolarHBondContact O-N 2.77Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.22Å; Y296-N299 PolarHBondContact O-ND2 2.84Å; Y296-I319 HydrophobicContact CD1-CG2 3.99Å; Y296-I319 HydrophobicContact CE1-CG2 3.92Å; Y296-A323 HydrophobicContact CD1-CB 4.34Å; Y296-A323 HydrophobicContact CE1-CB 3.75Å; Y296-A323 HydrophobicContact CE2-CB 4.35Å; Y296-M327 HydrophobicContact CD2-CB 4.03Å; Y296-M327 HydrophobicContact CD2-CG 3.76Å; Y296-M327 HydrophobicContact CD2-SD 3.98Å; Y296-M327 HydrophobicContact CE2-CG 3.99Å; Y296-M327 HydrophobicContact CG-CB 4.44Å; Y296-K328 CarbonylContact C-O 3.21Å; Y296-I329 HydrophobicContact CD1-CD1 3.41Å; Y296-I329 VanDerWaalsContact CD1-CD1 3.41Å; Y296-I329 HydrophobicContact CD2-CD1 4.41Å; Y296-I329 HydrophobicContact CE1-CD1 4.1Å; Y296-I329 HydrophobicContact CG-CD1 3.6Å; Y296-K330 PolarHBondContact O-N 2.79Å
297A98Very high98.1Very high27 Ų2740.8 Ų40.822%0.22322%0.221CC..Hα-helixtrans-77.1-9.1178.100000113.6K293 D294 L295 K330K293-A297 WeakPolarHBondContact O-CB 3.34Å; K293-A297 PolarHBondContact O-N 3.25Å; K293-A297 VanDerWaalsContact O-N 3.09Å; D294-A297 PolarHBondContact O-N 3Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 2.81Å; A297-K330 WeakPolarHBondContact O-CB 3.26Å
298N98.3Very high98.1Very high32 Ų3241.3 Ų41.317%0.17122%0.222CC..  trans-138.962.1-175.8-60.8-72.7000111.4R149 G152 I153 D294 L295 Y296R149-N298 VanDerWaalsContact CD-OD1 3.28Å; R149-N298 WeakPolarHBondContact CD-OD1 3.18Å; R149-N298 PolarHBondContact NE-OD1 2.86Å; G152-N298 CarbonylContact C-O 3.15Å; G152-N298 VanDerWaalsContact CA-O 3.31Å; G152-N298 WeakPolarHBondContact CA-O 3.15Å; I153-N298 PolarHBondContact N-O 3.5Å; D294-N298 WeakPolarHBondContact O-CB 3.18Å; D294-N298 PolarHBondContact O-N 2.88Å; D294-N298 VanDerWaalsContact O-N 3.14Å; D294-N298 PolarHBondContact O-ND2 3.26Å; L295-N298 CarbonylContact O-C 3.49Å; L295-N298 VanDerWaalsContact O-C 3.31Å; L295-N298 PolarHBondContact O-N 2.96Å; L295-N298 VanDerWaalsContact O-N 3.14Å; Y296-N298 PolarHBondContact O-N 2.77Å
299N98.4Very high98.2Very high5 Ų539.8 Ų39.83%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-87104.6170.3-72.1-100.4000109.2I153 T280 L295 Y296 K330 I331 I332I153-N299 HydrophobicContact CG2-CB 4.2Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.18Å; I153-N299 CarbonylContact O-C 3.59Å; I153-N299 WeakPolarHBondContact O-CA 3.22Å; T280-N299 VanDerWaalsContact CG2-OD1 3.25Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.49Å; L295-N299 PolarHBondContact O-ND2 3.46Å; L295-N299 VanDerWaalsContact O-ND2 3.08Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.22Å; Y296-N299 PolarHBondContact O-ND2 2.84Å; N299-K330 WeakPolarHBondContact CB-O 3.38Å; N299-K330 PolarHBondContact N-O 3.21Å; N299-K330 VanDerWaalsContact N-O 3.14Å; N299-I331 HydrophobicContact CB-CD1 3.58Å; N299-I331 CarbonylContact O-C 3.58Å; N299-I332 PolarHBondContact O-N 3.26Å
300V98.8Very high98.2Very high0 Ų035.2 Ų35.20%020%0.202CC..EExtended strand (participates in β ladder)trans-99.4127.3-177.6-179.10000110.2L144 I153 V154 L155 I332L144-V300 HydrophobicContact CD1-CB 4.44Å; L144-V300 HydrophobicContact CD1-CG2 3.77Å; I153-V300 PolarHBondContact O-N 2.83Å; V154-V300 CarbonylContact C-O 3.57Å; V154-V300 VanDerWaalsContact CA-O 3.31Å; V154-V300 WeakPolarHBondContact CA-O 3.44Å; V154-V300 HydrophobicContact CG2-CB 4.29Å; L155-V300 PolarHBondContact N-O 3.03Å; V300-I332 WeakPolarHBondContact CA-O 3.43Å; V300-I332 HydrophobicContact CG2-CB 4.2Å; V300-I332 HydrophobicContact CG2-CD1 4.05Å; V300-I332 HydrophobicContact CG2-CG2 4.47Å
301L98.8Very high98.3Very high2 Ų228.3 Ų28.31%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-90.5132.1174.6-54.9-168.8000110.2L155 T306 I311 A312 I331 I332 A333 R337L155-L301 HydrophobicContact CB-CD2 3.9Å; L155-L301 HydrophobicContact CD2-CD2 3.85Å; L155-L301 HydrophobicContact CG-CD2 4.24Å; L301-T306 HydrophobicContact CB-CG2 4.4Å; L301-I311 HydrophobicContact CD1-CG2 4.04Å; L301-A312 HydrophobicContact CD1-CB 4.35Å; L301-I331 HydrophobicContact CD1-CG2 3.89Å; L301-I331 HydrophobicContact CD2-CG2 4.17Å; L301-I331 HydrophobicContact CG-CG2 3.87Å; L301-I332 PolarHBondContact N-O 3.13Å; L301-A333 HydrophobicContact CB-CB 4.33Å; L301-A333 HydrophobicContact CD1-CB 3.97Å; L301-A333 HydrophobicContact CG-CB 4.32Å; L301-R337 WeakPolarHBondContact O-CB 3.2Å
302S98.4Very high98.3Very high0 Ų028.7 Ų28.70%017%0.171CC..EExtended strand (participates in β ladder)trans-136.8158.1176.4-167.70000111.3S143 L155 D156 S157 T306S143-S302 WeakPolarHBondContact CB-OG 3.38Å; S143-S302 WeakPolarHBondContact OG-CB 3.35Å; S143-S302 PolarHBondContact OG-OG 2.75Å; L155-S302 PolarHBondContact O-N 2.8Å; D156-S302 WeakPolarHBondContact CA-O 3.33Å; S157-S302 PolarHBondContact N-O 2.88Å; S302-T306 WeakPolarHBondContact O-CG2 3.36Å; S302-T306 PolarHBondContact O-OG1 3.06Å
303G97.3Very high98.4Very high7 Ų731.4 Ų31.47%0.07219%0.19CC..SBendtrans89.8153.9175.100000114.1S157 T305 T306 R337S157-G303 CarbonylContact O-C 3.47Å; S157-G303 WeakPolarHBondContact O-CA 3.12Å; G303-T305 VanDerWaalsContact C-N 3.29Å; G303-T305 PolarHBondContact O-N 2.93Å; G303-T306 PolarHBondContact O-N 3.41Å; G303-T306 VanDerWaalsContact O-N 3.1Å; G303-T306 PolarHBondContact O-OG1 3.37Å; G303-R337 PolarHBondContact N-O 2.75Å
304G97.4Very high98.4Very high43 Ų4325.2 Ų25.244%0.44316%0.162SC..G310 helixtrans-61.8-31-170.500000114.5S157 T306 M307S157-G304 PolarHBondContact O-N 3.25Å; G304-T306 PolarHBondContact O-N 3.2Å; G304-M307 WeakPolarHBondContact O-CB 3.49Å; G304-M307 VanDerWaalsContact O-CG 3.22Å; G304-M307 WeakPolarHBondContact O-CG 3.13Å; G304-M307 PolarHBondContact O-N 2.76Å; G304-M307 VanDerWaalsContact O-N 3.12Å
305T98.6Very high98.4Very high7 Ų722.2 Ų22.24%0.04315%0.146CC..G310 helixtrans-75.4-15.2-179.5-63.80000112.3S157 G158 G184 L187 L263 G303 M307 Y308S157-T305 WeakPolarHBondContact O-CB 3.39Å; S157-T305 PolarHBondContact O-N 2.85Å; S157-T305 WeakPolarHBondContact OG-CB 3.03Å; S157-T305 WeakPolarHBondContact OG-CG2 3.25Å; G158-T305 WeakPolarHBondContact O-CB 3.49Å; G158-T305 PolarHBondContact O-OG1 3.16Å; G184-T305 WeakPolarHBondContact CA-OG1 3.4Å; G184-T305 PolarHBondContact N-OG1 3.38Å; G184-T305 VanDerWaalsContact N-OG1 3.14Å; L187-T305 HydrophobicContact CD1-CG2 3.56Å; L263-T305 HydrophobicContact CD1-CG2 3.92Å; L263-T305 HydrophobicContact CD2-CG2 4.03Å; G303-T305 VanDerWaalsContact C-N 3.29Å; G303-T305 PolarHBondContact O-N 2.93Å; T305-M307 PolarHBondContact O-N 3.14Å; T305-Y308 HydrophobicContact CG2-CE2 4.09Å; T305-Y308 WeakPolarHBondContact O-CD2 3.3Å; T305-Y308 WeakPolarHBondContact O-CE2 3.34Å
306T98.7Very high98.4Very high1 Ų125 Ų251%0.00616%0.159CC..G310 helixtrans-84.17.2169.974.20000113.3L301 S302 G303 G304 Y308 I311 R337L301-T306 HydrophobicContact CB-CG2 4.4Å; S302-T306 WeakPolarHBondContact O-CG2 3.36Å; S302-T306 PolarHBondContact O-OG1 3.06Å; G303-T306 PolarHBondContact O-N 3.41Å; G303-T306 VanDerWaalsContact O-N 3.1Å; G303-T306 PolarHBondContact O-OG1 3.37Å; G304-T306 PolarHBondContact O-N 3.2Å; T306-Y308 VanDerWaalsContact C-N 3.33Å; T306-I311 VanDerWaalsContact O-CG2 3.32Å; T306-I311 WeakPolarHBondContact O-CG2 3.19Å; T306-R337 PolarHBondContact O-NE 3.09Å; T306-R337 PolarHBondContact O-NH2 3.21Å; T306-R337 WeakPolarHBondContact OG1-CD 3.41Å
307M98.5Very high98.4Very high68 Ų6829.2 Ų29.234%0.33518%0.178SC..G310 helixtrans-80.8-9.2-179.5-66.5-62.8-64.500114.1G304 T305 R337 K338G304-M307 WeakPolarHBondContact O-CB 3.49Å; G304-M307 VanDerWaalsContact O-CG 3.22Å; G304-M307 WeakPolarHBondContact O-CG 3.13Å; G304-M307 PolarHBondContact O-N 2.76Å; G304-M307 VanDerWaalsContact O-N 3.12Å; T305-M307 PolarHBondContact O-N 3.14Å; M307-R337 HydrophobicContact SD-CG 3.4Å; M307-R337 WeakPolarHBondContact SD-CG 3.12Å; M307-K338 HydrophobicContact CG-CB 4.2Å; M307-K338 HydrophobicContact SD-CB 4.16Å
308Y98.6Very high98.5Very high13 Ų1329.8 Ų29.85%0.05118%0.176CC..SBendtrans-57131.1179.9-65.8-62.8000111.9L187 K215 C219 V221 P260 L263 T305 T306 G310 I311L187-Y308 HydrophobicContact CD1-CE2 3.6Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.33Å; K215-Y308 WeakPolarHBondContact CD-OH 3.25Å; K215-Y308 HydrophobicContact CG-CE1 4.13Å; K215-Y308 WeakPolarHBondContact CG-OH 3.44Å; C219-Y308 HydrophobicContact CB-CD1 3.96Å; C219-Y308 HydrophobicContact CB-CE1 3.65Å; V221-Y308 HydrophobicContact CG2-CD2 4.43Å; V221-Y308 HydrophobicContact CG2-CG 4.36Å; P260-Y308 HydrophobicContact CB-CD1 4.32Å; P260-Y308 HydrophobicContact CB-CD2 3.78Å; P260-Y308 HydrophobicContact CB-CE1 4.34Å; P260-Y308 HydrophobicContact CB-CE2 3.78Å; P260-Y308 HydrophobicContact CB-CG 4.06Å; L263-Y308 HydrophobicContact CD1-CD2 4.27Å; L263-Y308 HydrophobicContact CD1-CE2 4.18Å; T305-Y308 HydrophobicContact CG2-CE2 4.09Å; T305-Y308 WeakPolarHBondContact O-CD2 3.3Å; T305-Y308 WeakPolarHBondContact O-CE2 3.34Å; T306-Y308 VanDerWaalsContact C-N 3.33Å; Y308-G310 PolarHBondContact O-N 3.14Å; Y308-I311 WeakPolarHBondContact O-CB 3.33Å; Y308-I311 WeakPolarHBondContact O-CG2 3.43Å; Y308-I311 PolarHBondContact O-N 2.98Å
309P98.7Very high98.5Very high85 Ų8528.3 Ų28.355%0.55217%0.168SC*.THydrogen-bonded Turntrans-54.7139.3169.2-24.834.5000110.9V221 I311V221-P309 PolarHBondContact N-O 3.14Å; P309-I311 VanDerWaalsContact C-N 3.32Å; P309-I311 PolarHBondContact O-N 3.42Å
310G98.5Very high98.5Very high28 Ų2831.6 Ų31.629%0.28919%0.188SC..THydrogen-bonded Turntrans83.6-9.217900000116Y308 A312 D313 R314Y308-G310 PolarHBondContact O-N 3.14Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 2.98Å; G310-D313 PolarHBondContact O-N 2.87Å; G310-R314 PolarHBondContact O-N 3.14Å
311I98.8Very high98.4Very high2 Ų235.5 Ų35.51%0.0122%0.221CC..Hα-helixtrans-63.2-38-177.2-165176.1000113V221 L263 F264 I276 L301 T306 Y308 P309 M315V221-I311 HydrophobicContact CB-CB 4.36Å; V221-I311 HydrophobicContact CG2-CB 4.04Å; V221-I311 HydrophobicContact CG2-CG1 4.24Å; L263-I311 HydrophobicContact CD1-CD1 4.45Å; F264-I311 HydrophobicContact CZ-CG1 4.31Å; I276-I311 HydrophobicContact CD1-CD1 4.23Å; L301-I311 HydrophobicContact CD1-CG2 4.04Å; T306-I311 VanDerWaalsContact O-CG2 3.32Å; T306-I311 WeakPolarHBondContact O-CG2 3.19Å; Y308-I311 WeakPolarHBondContact O-CB 3.33Å; Y308-I311 WeakPolarHBondContact O-CG2 3.43Å; Y308-I311 PolarHBondContact O-N 2.98Å; P309-I311 VanDerWaalsContact C-N 3.32Å; P309-I311 PolarHBondContact O-N 3.42Å; I311-M315 HydrophobicContact CG1-CG 4.44Å; I311-M315 WeakPolarHBondContact O-CB 3.42Å; I311-M315 WeakPolarHBondContact O-CG 3.4Å; I311-M315 PolarHBondContact O-N 3.21Å
312A98.6Very high98.4Very high26 Ų2638.5 Ų38.522%0.21524%0.236CC..Hα-helixtrans-66.3-42.6179.600000111.2L301 G310 M315 Q316 I331 A333L301-A312 HydrophobicContact CD1-CB 4.35Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 2.98Å; A312-M315 PolarHBondContact O-N 3.29Å; A312-Q316 VanDerWaalsContact O-CB 3.28Å; A312-Q316 WeakPolarHBondContact O-CB 3.4Å; A312-Q316 PolarHBondContact O-N 3.33Å; A312-I331 HydrophobicContact CB-CG2 4.08Å; A312-A333 HydrophobicContact CB-CB 4Å
313D98.6Very high98.3Very high107 Ų10739 Ų3957%0.57224%0.241SC*.Hα-helixtrans-68.1-41.4178.5-59.2-43.5000111.5L223 G310 Q316 K317L223-D313 HydrophobicContact CD1-CB 4.17Å; G310-D313 PolarHBondContact O-N 2.87Å; D313-Q316 WeakPolarHBondContact O-CB 3.49Å; D313-Q316 PolarHBondContact O-N 3.47Å; D313-K317 PolarHBondContact O-N 3.45Å
314R98.8Very high98.2Very high12 Ų1241.5 Ų41.55%0.04526%0.256CS..Hα-helixtrans-62.7-48.6174.1-17862.6177.8-75.4-8.2111.3V221 A222 L223 E261 F264 G310 Q316 K317 E318V221-R314 HydrophobicContact CG1-CB 3.52Å; V221-R314 HydrophobicContact CG1-CG 3.7Å; A222-R314 WeakPolarHBondContact O-CD 3.37Å; A222-R314 PolarHBondContact O-NH1 2.65Å; L223-R314 WeakPolarHBondContact O-CD 3.15Å; E261-R314 IonicContact OE1-CZ 2.75Å; E261-R314 IonicContact OE1-NH1 2.71Å; E261-R314 PolarHBondContact OE1-NH1 3.14Å; E261-R314 IonicContact OE1-NH2 3.03Å; E261-R314 PolarHBondContact OE1-NH2 3.39Å; E261-R314 IonicContact OE2-CZ 2.86Å; E261-R314 IonicContact OE2-NH1 3.06Å; E261-R314 PolarHBondContact OE2-NH1 2.92Å; E261-R314 IonicContact OE2-NH2 3.35Å; F264-R314 HydrophobicContact CD1-CG 4.13Å; F264-R314 HydrophobicContact CE1-CB 4.42Å; F264-R314 HydrophobicContact CE1-CG 3.55Å; F264-R314 HydrophobicContact CE2-CG 3.98Å; F264-R314 HydrophobicContact CZ-CB 4.04Å; F264-R314 HydrophobicContact CZ-CG 3.46Å; F264-R314 VanDerWaalsContact CZ-CG 3.46Å; G310-R314 PolarHBondContact O-N 3.14Å; R314-Q316 VanDerWaalsContact C-N 3.28Å; R314-Q316 PolarHBondContact O-N 2.9Å; R314-K317 WeakPolarHBondContact O-CB 3.42Å; R314-K317 PolarHBondContact O-N 2.99Å; R314-E318 HydrophobicContact CG-CG 4.32Å; R314-E318 IonicContact CZ-OE1 3.26Å; R314-E318 IonicContact NE-OE1 3.85Å; R314-E318 PolarHBondContact NE-OE1 3.3Å; R314-E318 IonicContact NH2-OE1 2.79Å; R314-E318 PolarHBondContact NH2-OE1 2.88Å; R314-E318 VanDerWaalsContact O-CG 3.3Å; R314-E318 WeakPolarHBondContact O-CG 3.35Å; R314-E318 PolarHBondContact O-N 3.49Å
315M98.6Very high98Very high1 Ų145.6 Ų45.61%0.00528%0.277CS..Hα-helixtrans-58.2-40.7174.4-79-65.5-66.500112L155 F264 I276 H277 T280 I311 A312 E318 I319 I331L155-M315 HydrophobicContact CD2-CE 3.75Å; L155-M315 HydrophobicContact CD2-SD 4.2Å; F264-M315 HydrophobicContact CE1-CG 4.31Å; F264-M315 HydrophobicContact CE1-SD 3.85Å; F264-M315 HydrophobicContact CZ-CG 4.29Å; F264-M315 HydrophobicContact CZ-SD 4.3Å; I276-M315 HydrophobicContact CD1-SD 3.9Å; I276-M315 HydrophobicContact CG1-SD 3.96Å; H277-M315 HydrophobicContact CB-SD 3.89Å; T280-M315 HydrophobicContact CG2-CE 4.4Å; I311-M315 HydrophobicContact CG1-CG 4.44Å; I311-M315 WeakPolarHBondContact O-CB 3.42Å; I311-M315 WeakPolarHBondContact O-CG 3.4Å; I311-M315 PolarHBondContact O-N 3.21Å; A312-M315 PolarHBondContact O-N 3.29Å; M315-E318 PolarHBondContact O-N 3.19Å; M315-I319 HydrophobicContact CE-CD1 4.18Å; M315-I319 HydrophobicContact CE-CG1 4.02Å; M315-I319 WeakPolarHBondContact O-CB 3.32Å; M315-I319 VanDerWaalsContact O-CG1 3.25Å; M315-I319 WeakPolarHBondContact O-CG1 3.3Å; M315-I319 PolarHBondContact O-N 3.43Å; M315-I331 HydrophobicContact CB-CD1 4.22Å; M315-I331 HydrophobicContact CB-CG1 4.07Å; M315-I331 HydrophobicContact CB-CG2 4.38Å
316Q98.6Very high97.8Very high59 Ų5951.2 Ų51.228%0.27631%0.312SS..Hα-helixtrans-61.2-45.9177.2-176.770.15900111A312 D313 R314 T320 I329 I331A312-Q316 VanDerWaalsContact O-CB 3.28Å; A312-Q316 WeakPolarHBondContact O-CB 3.4Å; A312-Q316 PolarHBondContact O-N 3.33Å; D313-Q316 WeakPolarHBondContact O-CB 3.49Å; D313-Q316 PolarHBondContact O-N 3.47Å; R314-Q316 VanDerWaalsContact C-N 3.28Å; R314-Q316 PolarHBondContact O-N 2.9Å; Q316-T320 PolarHBondContact NE2-OG1 3.4Å; Q316-T320 WeakPolarHBondContact O-CB 3.28Å; Q316-T320 PolarHBondContact O-N 2.95Å; Q316-T320 VanDerWaalsContact O-N 3.14Å; Q316-T320 PolarHBondContact O-OG1 2.87Å; Q316-I329 PolarHBondContact NE2-O 3.14Å; Q316-I331 HydrophobicContact CB-CG1 3.84Å; Q316-I331 VanDerWaalsContact OE1-N 3.14Å
317K98.5Very high97.7Very high89 Ų8953.9 Ų53.939%0.38733%0.325SS..Hα-helixtrans-59.8-52.6174.5-175.4-170.6-178.9-170.50111.6L223 D224 D313 R314 T320 A321L223-K317 HydrophobicContact CD1-CB 4.07Å; L223-K317 HydrophobicContact CD1-CD 3.92Å; L223-K317 HydrophobicContact CG-CD 4.21Å; L223-K317 WeakPolarHBondContact O-CD 3.48Å; L223-K317 PolarHBondContact O-NZ 2.8Å; D224-K317 IonicContact OD2-NZ 2.71Å; D224-K317 PolarHBondContact OD2-NZ 3.03Å; D313-K317 PolarHBondContact O-N 3.45Å; R314-K317 WeakPolarHBondContact O-CB 3.42Å; R314-K317 PolarHBondContact O-N 2.99Å; K317-T320 PolarHBondContact O-N 2.71Å; K317-A321 PolarHBondContact O-N 2.54Å; K317-A321 VanDerWaalsContact O-N 3.09Å
318E98.6Very high97.6Very high39 Ų3958.4 Ų58.418%0.18234%0.343CS..Hα-helixtrans-63.6-49.1-175-66.1-66.9177.800112.2F264 H277 R314 M315 T320 A321 L322F264-E318 HydrophobicContact CD1-CG 4.17Å; F264-E318 HydrophobicContact CE1-CG 4.21Å; H277-E318 HydrophobicContact CB-CB 3.57Å; H277-E318 HydrophobicContact CB-CG 4.06Å; H277-E318 IonicContact CD2-OE2 2.88Å; R314-E318 HydrophobicContact CG-CG 4.32Å; R314-E318 IonicContact CZ-OE1 3.26Å; R314-E318 IonicContact NE-OE1 3.85Å; R314-E318 PolarHBondContact NE-OE1 3.3Å; R314-E318 IonicContact NH2-OE1 2.79Å; R314-E318 PolarHBondContact NH2-OE1 2.88Å; R314-E318 VanDerWaalsContact O-CG 3.3Å; R314-E318 WeakPolarHBondContact O-CG 3.35Å; R314-E318 PolarHBondContact O-N 3.49Å; M315-E318 PolarHBondContact O-N 3.19Å; E318-T320 VanDerWaalsContact C-N 3.3Å; E318-T320 PolarHBondContact O-N 3.21Å; E318-A321 PolarHBondContact O-N 2.89Å; E318-A321 VanDerWaalsContact O-N 3.16Å; E318-L322 WeakPolarHBondContact O-CG 3.27Å; E318-L322 PolarHBondContact O-N 3.45Å; E318-L322 VanDerWaalsContact O-N 3.14Å
319I98.3Very high97.6Very high0 Ų058.6 Ų58.60%035%0.345CS..Hα-helixtrans-66.9-34.1-179.6-60-62.6000111.2H277 T280 Y296 M315 A321 L322 A323 I329H277-I319 HydrophobicContact CB-CD1 4.32Å; H277-I319 WeakPolarHBondContact O-CD1 3.31Å; T280-I319 HydrophobicContact CG2-CD1 4.12Å; Y296-I319 HydrophobicContact CD1-CG2 3.99Å; Y296-I319 HydrophobicContact CE1-CG2 3.92Å; M315-I319 HydrophobicContact CE-CD1 4.18Å; M315-I319 HydrophobicContact CE-CG1 4.02Å; M315-I319 WeakPolarHBondContact O-CB 3.32Å; M315-I319 VanDerWaalsContact O-CG1 3.25Å; M315-I319 WeakPolarHBondContact O-CG1 3.3Å; M315-I319 PolarHBondContact O-N 3.43Å; I319-A321 VanDerWaalsContact C-N 3.3Å; I319-A321 PolarHBondContact O-N 3.47Å; I319-L322 PolarHBondContact O-N 3.39Å; I319-A323 WeakPolarHBondContact O-CB 3.09Å; I319-A323 PolarHBondContact O-N 2.94Å; I319-I329 HydrophobicContact CB-CG2 3.95Å; I319-I329 HydrophobicContact CG2-CD1 4.18Å; I319-I329 HydrophobicContact CG2-CG1 4.29Å; I319-I329 HydrophobicContact CG2-CG2 3.59Å
320T98.3Very high97.6Very high74 Ų7459 Ų5945%0.45434%0.338SS..Hα-helixtrans-65.7-34.2175.4-58.90000111.8Q316 K317 E318Q316-T320 PolarHBondContact NE2-OG1 3.4Å; Q316-T320 WeakPolarHBondContact O-CB 3.28Å; Q316-T320 PolarHBondContact O-N 2.95Å; Q316-T320 VanDerWaalsContact O-N 3.14Å; Q316-T320 PolarHBondContact O-OG1 2.87Å; K317-T320 PolarHBondContact O-N 2.71Å; E318-T320 VanDerWaalsContact C-N 3.3Å; E318-T320 PolarHBondContact O-N 3.21Å
321A98.1Very high97.6Very high83 Ų8358.8 Ų58.869%0.68633%0.329SS*.Hα-helixtrans-71.6-32.9176.200000112.9K317 E318 I319K317-A321 PolarHBondContact O-N 2.54Å; K317-A321 VanDerWaalsContact O-N 3.09Å; E318-A321 PolarHBondContact O-N 2.89Å; E318-A321 VanDerWaalsContact O-N 3.16Å; I319-A321 VanDerWaalsContact C-N 3.3Å; I319-A321 PolarHBondContact O-N 3.47Å
322L97.7Very high97.6Very high64 Ų6459.8 Ų59.834%0.33533%0.334SS..Hα-helixtrans-85.2-34-179.8-65.8174.7000113.7E278 Y281 E318 I319E278-L322 HydrophobicContact CG-CD1 4.35Å; Y281-L322 HydrophobicContact CD2-CB 3.65Å; Y281-L322 HydrophobicContact CE2-CB 3.99Å; Y281-L322 WeakPolarHBondContact CE2-O 3.37Å; Y281-L322 HydrophobicContact CG-CB 4.02Å; Y281-L322 HydrophobicContact CG-CD1 4.18Å; E318-L322 WeakPolarHBondContact O-CG 3.27Å; E318-L322 PolarHBondContact O-N 3.45Å; E318-L322 VanDerWaalsContact O-N 3.14Å; I319-L322 PolarHBondContact O-N 3.39Å
323A96.4Very high97.6Very high12 Ų1260.1 Ų60.110%0.09934%0.337CS..SBendtrans-77.2154.2-174.900000112.7Y296 I319 S325 I329Y296-A323 HydrophobicContact CD1-CB 4.34Å; Y296-A323 HydrophobicContact CE1-CB 3.75Å; Y296-A323 HydrophobicContact CE2-CB 4.35Å; I319-A323 WeakPolarHBondContact O-CB 3.09Å; I319-A323 PolarHBondContact O-N 2.94Å; A323-S325 PolarHBondContact O-N 3.32Å; A323-I329 HydrophobicContact CB-CD1 3.62Å; A323-I329 HydrophobicContact CB-CG1 4.24Å
324P95.1Very high97.5Very high59 Ų5955.8 Ų55.838%0.38332%0.315SS..  trans-56138.1170.5-22.833000111.3T326 M327P324-T326 PolarHBondContact O-N 3Å; P324-M327 HydrophobicContact CB-CG 4.21Å; P324-M327 HydrophobicContact CG-CG 4.34Å; P324-M327 WeakPolarHBondContact O-CB 3.42Å; P324-M327 PolarHBondContact O-N 3.28Å
325S94.1Very high97.4Very high128 Ų12860.1 Ų60.190%0.89535%0.345SS*.THydrogen-bonded Turntrans-61.4-15.4-175.357.50000115A323 M327A323-S325 PolarHBondContact O-N 3.32Å; S325-M327 VanDerWaalsContact C-N 3.34Å
326T94.8Very high97.2Very high126 Ų12664.4 Ų64.477%0.77337%0.365SS*.THydrogen-bonded Turntrans-80.5-13.6174.654.10000113.4P324P324-T326 PolarHBondContact O-N 3Å
327M95.8Very high97.2Very high56 Ų5663 Ų6328%0.27636%0.357SS..SBendtrans-83136.7-179.1-65.3-63.5-179.900111.1K293 Y296 P324 S325 I329K293-M327 HydrophobicContact CB-SD 4.19Å; Y296-M327 HydrophobicContact CD2-CB 4.03Å; Y296-M327 HydrophobicContact CD2-CG 3.76Å; Y296-M327 HydrophobicContact CD2-SD 3.98Å; Y296-M327 HydrophobicContact CE2-CG 3.99Å; Y296-M327 HydrophobicContact CG-CB 4.44Å; P324-M327 HydrophobicContact CB-CG 4.21Å; P324-M327 HydrophobicContact CG-CG 4.34Å; P324-M327 WeakPolarHBondContact O-CB 3.42Å; P324-M327 PolarHBondContact O-N 3.28Å; S325-M327 VanDerWaalsContact C-N 3.34Å; M327-I329 HydrophobicContact CB-CD1 3.9Å
328K96.8Very high97.1Very high164 Ų16463.1 Ų63.171%0.71336%0.358SS*.  trans-89.3110.3170.2-176.8179.3179.5178.60109.2Y296Y296-K328 CarbonylContact C-O 3.21Å
329I98.3Very high97Very high17 Ų1763.8 Ų63.89%0.08736%0.359CS..  trans-89.5131.9178.8-48.5-47.8000109.4Y296 Q316 I319 A323 M327 I331Y296-I329 HydrophobicContact CD1-CD1 3.41Å; Y296-I329 VanDerWaalsContact CD1-CD1 3.41Å; Y296-I329 HydrophobicContact CD2-CD1 4.41Å; Y296-I329 HydrophobicContact CE1-CD1 4.1Å; Y296-I329 HydrophobicContact CG-CD1 3.6Å; Q316-I329 PolarHBondContact NE2-O 3.14Å; I319-I329 HydrophobicContact CB-CG2 3.95Å; I319-I329 HydrophobicContact CG2-CD1 4.18Å; I319-I329 HydrophobicContact CG2-CG1 4.29Å; I319-I329 HydrophobicContact CG2-CG2 3.59Å; A323-I329 HydrophobicContact CB-CD1 3.62Å; A323-I329 HydrophobicContact CB-CG1 4.24Å; M327-I329 HydrophobicContact CB-CD1 3.9Å; I329-I331 HydrophobicContact CG2-CD1 4.31Å
330K98.4Very high97Very high94 Ų9463.9 Ų63.941%0.40936%0.36SS..  trans-139.4116.7174-179.5-175.2-179.6-173.70110.5Y296 A297 N299 I332Y296-K330 PolarHBondContact O-N 2.79Å; A297-K330 WeakPolarHBondContact O-CB 3.26Å; N299-K330 WeakPolarHBondContact CB-O 3.38Å; N299-K330 PolarHBondContact N-O 3.21Å; N299-K330 VanDerWaalsContact N-O 3.14Å; K330-I332 HydrophobicContact CD-CD1 4.43Å; K330-I332 HydrophobicContact CD-CG1 4.25Å; K330-I332 HydrophobicContact CG-CG1 4.11Å
331I98.6Very high97Very high22 Ų2260.8 Ų60.811%0.11334%0.341CS..EExtended strand (participates in β ladder)trans-90.4133.5169.9-49.2-52.3000109.6N299 L301 A312 M315 Q316 I329N299-I331 HydrophobicContact CB-CD1 3.58Å; N299-I331 CarbonylContact O-C 3.58Å; L301-I331 HydrophobicContact CD1-CG2 3.89Å; L301-I331 HydrophobicContact CD2-CG2 4.17Å; L301-I331 HydrophobicContact CG-CG2 3.87Å; A312-I331 HydrophobicContact CB-CG2 4.08Å; M315-I331 HydrophobicContact CB-CD1 4.22Å; M315-I331 HydrophobicContact CB-CG1 4.07Å; M315-I331 HydrophobicContact CB-CG2 4.38Å; Q316-I331 HydrophobicContact CB-CG1 3.84Å; Q316-I331 VanDerWaalsContact OE1-N 3.14Å; I329-I331 HydrophobicContact CG2-CD1 4.31Å
332I98.6Very high97Very high23 Ų2356.9 Ų56.912%0.11831%0.308CS..EExtended strand (participates in β ladder)trans-122112.3-176.5-57.3163.7000107N299 V300 L301 K330 P334N299-I332 PolarHBondContact O-N 3.26Å; V300-I332 WeakPolarHBondContact CA-O 3.43Å; V300-I332 HydrophobicContact CG2-CB 4.2Å; V300-I332 HydrophobicContact CG2-CD1 4.05Å; V300-I332 HydrophobicContact CG2-CG2 4.47Å; L301-I332 PolarHBondContact N-O 3.13Å; K330-I332 HydrophobicContact CD-CD1 4.43Å; K330-I332 HydrophobicContact CD-CG1 4.25Å; K330-I332 HydrophobicContact CG-CG1 4.11Å; I332-P334 HydrophobicContact CG2-CG 4.44Å; I332-P334 WeakPolarHBondContact O-CD 3.46Å
333A98.2Very high97.1Very high33 Ų3355 Ų5527%0.27330%0.298SS..  trans-123.186-179.100000109.7L301 A312L301-A333 HydrophobicContact CB-CB 4.33Å; L301-A333 HydrophobicContact CD1-CB 3.97Å; L301-A333 HydrophobicContact CG-CB 4.32Å; A312-A333 HydrophobicContact CB-CB 4Å
334P97.4Very high97.1Very high17 Ų1754.5 Ų54.511%0.1129%0.294CS..  trans-56.2143.5176.8-22.633.7000111.1I332 E336 R337I332-P334 HydrophobicContact CG2-CG 4.44Å; I332-P334 WeakPolarHBondContact O-CD 3.46Å; P334-E336 VanDerWaalsContact C-N 3.27Å; P334-E336 PolarHBondContact O-N 3.14Å; P334-R337 HydrophobicContact CB-CB 4.33Å; P334-R337 WeakPolarHBondContact O-CB 3.19Å; P334-R337 VanDerWaalsContact O-CD 3.28Å; P334-R337 WeakPolarHBondContact O-CD 3.29Å; P334-R337 WeakPolarHBondContact O-CG 3.09Å; P334-R337 PolarHBondContact O-N 3Å; P334-R337 PolarHBondContact O-NH1 3Å
335P96.6Very high97.3Very high103 Ų10351.7 Ų51.767%0.66928%0.275SS*.THydrogen-bonded Turntrans-63.6-34-179.413.2-15.6000112.6R337P335-R337 VanDerWaalsContact C-N 3.27Å; P335-R337 PolarHBondContact O-N 3.45Å
336E95.1Very high97.4Very high91 Ų9145.7 Ų45.743%0.42523%0.234SC..THydrogen-bonded Turntrans-84.412.9177.262.5-73.8163.100114.2P334 K338 Y339 S340 I343P334-E336 VanDerWaalsContact C-N 3.27Å; P334-E336 PolarHBondContact O-N 3.14Å; E336-K338 PolarHBondContact O-N 3.03Å; E336-Y339 PolarHBondContact O-N 2.83Å; E336-S340 PolarHBondContact O-N 3.27Å; E336-I343 HydrophobicContact CB-CD1 4.06Å; E336-I343 HydrophobicContact CG-CD1 3.62Å
337R97.3Very high97.5Very high28 Ų2843.2 Ų43.211%0.10622%0.215CC..THydrogen-bonded Turntrans-59.5-16.4-172.767.7-171.5172.9-79.51.3116.9L301 G303 T306 M307 P334 P335 Y339 S340L301-R337 WeakPolarHBondContact O-CB 3.2Å; G303-R337 PolarHBondContact N-O 2.75Å; T306-R337 PolarHBondContact O-NE 3.09Å; T306-R337 PolarHBondContact O-NH2 3.21Å; T306-R337 WeakPolarHBondContact OG1-CD 3.41Å; M307-R337 HydrophobicContact SD-CG 3.4Å; M307-R337 WeakPolarHBondContact SD-CG 3.12Å; P334-R337 HydrophobicContact CB-CB 4.33Å; P334-R337 WeakPolarHBondContact O-CB 3.19Å; P334-R337 VanDerWaalsContact O-CD 3.28Å; P334-R337 WeakPolarHBondContact O-CD 3.29Å; P334-R337 WeakPolarHBondContact O-CG 3.09Å; P334-R337 PolarHBondContact O-N 3Å; P334-R337 PolarHBondContact O-NH1 3Å; P335-R337 VanDerWaalsContact C-N 3.27Å; P335-R337 PolarHBondContact O-N 3.45Å; R337-Y339 PolarHBondContact O-N 3.47Å; R337-S340 WeakPolarHBondContact CA-OG 3.4Å; R337-S340 PolarHBondContact O-N 3.24Å
338K96.4Very high97.4Very high93 Ų9341.8 Ų41.840%0.40421%0.208SC..THydrogen-bonded Turntrans-62-21.5167.660.3167.5176.6166.40113.5M307 E336M307-K338 HydrophobicContact CG-CB 4.2Å; M307-K338 HydrophobicContact SD-CB 4.16Å; E336-K338 PolarHBondContact O-N 3.03Å
339Y97.7Very high97.4Very high53 Ų5334.6 Ų34.621%0.20818%0.179CC..SBendtrans-120.75.5-179.1-54.3-34.7000113.1K20 P29 V32 E336 R337 V341 W342 I343K20-Y339 HydrophobicContact CG-CD1 4.33Å; P29-Y339 HydrophobicContact CG-CD1 4.18Å; P29-Y339 HydrophobicContact CG-CD2 4.29Å; P29-Y339 HydrophobicContact CG-CE1 4.43Å; P29-Y339 HydrophobicContact CG-CE2 4.48Å; P29-Y339 HydrophobicContact CG-CG 4.13Å; V32-Y339 HydrophobicContact CG2-CE1 4.16Å; E336-Y339 PolarHBondContact O-N 2.83Å; R337-Y339 PolarHBondContact O-N 3.47Å; Y339-V341 PolarHBondContact O-N 2.86Å; Y339-V341 VanDerWaalsContact O-N 3.16Å; Y339-W342 PolarHBondContact O-N 3.37Å; Y339-I343 WeakPolarHBondContact O-CG1 3.27Å; Y339-I343 PolarHBondContact O-N 2.9Å
340S97.9Very high97.1Very high2 Ų237 Ų371%0.01420%0.198CC..Hα-helixtrans-53.8-38.9-176.5-810000113.7A146 E336 R337 I343 G344A146-S340 VanDerWaalsContact CB-O 3.3Å; A146-S340 WeakPolarHBondContact CB-O 3.44Å; E336-S340 PolarHBondContact O-N 3.27Å; R337-S340 WeakPolarHBondContact CA-OG 3.4Å; R337-S340 PolarHBondContact O-N 3.24Å; S340-I343 PolarHBondContact O-N 3.31Å; S340-G344 PolarHBondContact O-N 3.32Å
341V98.1Very high96.8Very high9 Ų936.3 Ų36.36%0.05520%0.198CC..Hα-helixtrans-56.2-52.3174176.60000111D13 T108 Q139 L142 S143 Y339 G344 G345D13-V341 HydrophobicContact CB-CG1 4.33Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.23Å; T108-V341 HydrophobicContact CG2-CG1 3.88Å; Q139-V341 HydrophobicContact CB-CG1 3.92Å; Q139-V341 HydrophobicContact CB-CG2 4Å; Q139-V341 HydrophobicContact CG-CG1 3.84Å; L142-V341 WeakPolarHBondContact CB-O 3.39Å; L142-V341 HydrophobicContact CD1-CG1 4.24Å; L142-V341 WeakPolarHBondContact CD1-O 3.32Å; S143-V341 WeakPolarHBondContact OG-CG2 3.49Å; S143-V341 PolarHBondContact OG-N 2.97Å; Y339-V341 PolarHBondContact O-N 2.86Å; Y339-V341 VanDerWaalsContact O-N 3.16Å; V341-G344 PolarHBondContact O-N 3.38Å; V341-G345 PolarHBondContact O-N 3.19Å; V341-G345 VanDerWaalsContact O-N 3.08Å
342W98.6Very high96.2Very high0 Ų039.5 Ų39.50%022%0.222CC..Hα-helixtrans-67.1-43-177.3-174.491.9000111.4V11 D13 K20 D26 A28 P29 Y339 G344 G345 S346V11-W342 HydrophobicContact CB-CZ2 4.28Å; V11-W342 HydrophobicContact CG1-CG 4.26Å; V11-W342 PolarHBondContact O-NE1 3.01Å; D13-W342 HydrophobicContact CB-CB 4.21Å; K20-W342 HydrophobicContact CB-CB 4.36Å; K20-W342 HydrophobicContact CB-CG 4.19Å; D26-W342 HydrophobicContact CB-CH2 3.92Å; D26-W342 WeakPolarHBondContact O-CZ3 3.37Å; A28-W342 WeakPolarHBondContact O-CH2 3.4Å; A28-W342 WeakPolarHBondContact O-CZ3 3.46Å; P29-W342 HydrophobicContact CB-CD2 3.69Å; P29-W342 HydrophobicContact CB-CE3 4.16Å; P29-W342 HydrophobicContact CB-CG 3.97Å; P29-W342 HydrophobicContact CB-CZ2 4.37Å; P29-W342 HydrophobicContact CG-CD2 4.26Å; P29-W342 HydrophobicContact CG-CE3 4.39Å; P29-W342 HydrophobicContact CG-CG 4.44Å; Y339-W342 PolarHBondContact O-N 3.37Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.35Å; W342-G345 CarbonylContact O-C 3.39Å; W342-G345 WeakPolarHBondContact O-CA 3.49Å; W342-G345 PolarHBondContact O-N 3.3Å; W342-G345 VanDerWaalsContact O-N 3.07Å; W342-S346 PolarHBondContact O-N 2.82Å
343I98.4Very high95.7Very high26 Ų2643.4 Ų43.413%0.13325%0.247CC..Hα-helixtrans-59.9-43.6176.9-66.2168.9000110.4A146 E336 Y339 S340 G345 S346 I347A146-I343 HydrophobicContact CB-CB 4.27Å; A146-I343 HydrophobicContact CB-CG2 4.06Å; E336-I343 HydrophobicContact CB-CD1 4.06Å; E336-I343 HydrophobicContact CG-CD1 3.62Å; Y339-I343 WeakPolarHBondContact O-CG1 3.27Å; Y339-I343 PolarHBondContact O-N 2.9Å; S340-I343 PolarHBondContact O-N 3.31Å; I343-G345 VanDerWaalsContact C-N 3.29Å; I343-G345 PolarHBondContact O-N 2.96Å; I343-S346 WeakPolarHBondContact O-CB 3.32Å; I343-S346 PolarHBondContact O-N 3.44Å; I343-I347 HydrophobicContact CG2-CD1 3.91Å; I343-I347 WeakPolarHBondContact O-CG1 3.39Å; I343-I347 PolarHBondContact O-N 2.96Å
344G97.7Very high95.2Very high0 Ų042.2 Ų42.20%024%0.236CC..Hα-helixtrans-61.3-37.6175.200000112.9L142 S340 V341 W342 L348L142-G344 WeakPolarHBondContact O-CA 3.09Å; S340-G344 PolarHBondContact O-N 3.32Å; V341-G344 PolarHBondContact O-N 3.38Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.35Å; G344-L348 VanDerWaalsContact O-CB 3.24Å; G344-L348 WeakPolarHBondContact O-CB 3.19Å; G344-L348 PolarHBondContact O-N 3.43Å
345G97.7Very high94.6Very high0 Ų045.7 Ų45.70%025%0.251CS..Hα-helixtrans-65.8-42.4172.500000112.9V341 W342 I343 L348 A349V341-G345 PolarHBondContact O-N 3.19Å; V341-G345 VanDerWaalsContact O-N 3.08Å; W342-G345 CarbonylContact O-C 3.39Å; W342-G345 WeakPolarHBondContact O-CA 3.49Å; W342-G345 PolarHBondContact O-N 3.3Å; W342-G345 VanDerWaalsContact O-N 3.07Å; I343-G345 VanDerWaalsContact C-N 3.29Å; I343-G345 PolarHBondContact O-N 2.96Å; G345-L348 PolarHBondContact O-N 3.36Å; G345-A349 WeakPolarHBondContact O-CB 3.44Å; G345-A349 PolarHBondContact O-N 3.31Å
346S97.9Very high94.1Very high3 Ų348.8 Ų48.82%0.02126%0.256CS..Hα-helixtrans-61.3-44.3176-178.80000112.1G25 D26 W342 I343 S350G25-S346 PolarHBondContact N-O 2.92Å; G25-S346 PolarHBondContact N-OG 3.45Å; D26-S346 PolarHBondContact N-OG 2.98Å; D26-S346 PolarHBondContact O-OG 3.2Å; W342-S346 PolarHBondContact O-N 2.82Å; I343-S346 WeakPolarHBondContact O-CB 3.32Å; I343-S346 PolarHBondContact O-N 3.44Å; S346-S350 WeakPolarHBondContact O-CB 3.43Å; S346-S350 PolarHBondContact O-N 2.86Å; S346-S350 PolarHBondContact O-OG 3.46Å
347I95.8Very high94Very high74 Ų7447.9 Ų47.938%0.37925%0.253SS..Hα-helixtrans-63.7-53.4174-65.8165.7000109.9I343 A349 S350 L351I343-I347 HydrophobicContact CG2-CD1 3.91Å; I343-I347 WeakPolarHBondContact O-CG1 3.39Å; I343-I347 PolarHBondContact O-N 2.96Å; I347-A349 PolarHBondContact O-N 2.95Å; I347-S350 PolarHBondContact O-N 3.26Å; I347-S350 PolarHBondContact O-OG 2.95Å; I347-L351 WeakPolarHBondContact O-CG 3.46Å; I347-L351 PolarHBondContact O-N 2.93Å
348L94.9Very high93.9Very high26 Ų2647.9 Ų47.914%0.13625%0.253CS..Hα-helixtrans-59.2-46.1-175.9-177.364.3000112.2L106 L142 Y145 G344 G345 S350 L351 F354L106-L348 HydrophobicContact CD1-CD2 4.25Å; L142-L348 HydrophobicContact CD2-CB 4.33Å; L142-L348 HydrophobicContact CD2-CD2 3.64Å; Y145-L348 HydrophobicContact CE2-CD1 4.43Å; G344-L348 VanDerWaalsContact O-CB 3.24Å; G344-L348 WeakPolarHBondContact O-CB 3.19Å; G344-L348 PolarHBondContact O-N 3.43Å; G345-L348 PolarHBondContact O-N 3.36Å; L348-S350 PolarHBondContact O-N 3.47Å; L348-L351 HydrophobicContact CD1-CD1 4.4Å; L348-L351 PolarHBondContact O-N 2.88Å; L348-F354 HydrophobicContact CD1-CD2 3.64Å; L348-F354 HydrophobicContact CD1-CE2 3.98Å; L348-F354 HydrophobicContact CD1-CG 4.3Å; L348-F354 HydrophobicContact CD2-CD2 4.2Å; L348-F354 HydrophobicContact CD2-CE2 3.67Å; L348-F354 HydrophobicContact CD2-CZ 4.07Å; L348-F354 HydrophobicContact CG-CD2 3.65Å; L348-F354 HydrophobicContact CG-CE2 3.61Å; L348-F354 HydrophobicContact CG-CG 4.15Å; L348-F354 HydrophobicContact CG-CZ 4.07Å; L348-F354 WeakPolarHBondContact O-CB 3.28Å; L348-F354 VanDerWaalsContact O-CG 3.32Å; L348-F354 WeakPolarHBondContact O-CG 3.5Å
349A95.6Very high94Very high12 Ų1243.5 Ų43.510%0.09923%0.234CC..Hα-helixtrans-70.8-16-178.200000113.9A9 V11 A24 L106 G345 I347 W358A9-A349 HydrophobicContact CB-CB 4.16Å; V11-A349 HydrophobicContact CG2-CB 4.16Å; A24-A349 HydrophobicContact CB-CB 3.66Å; L106-A349 HydrophobicContact CB-CB 4.47Å; L106-A349 HydrophobicContact CD1-CB 4.04Å; G345-A349 WeakPolarHBondContact O-CB 3.44Å; G345-A349 PolarHBondContact O-N 3.31Å; I347-A349 PolarHBondContact O-N 2.95Å; A349-W358 HydrophobicContact CB-CH2 4.4Å; A349-W358 HydrophobicContact CB-CZ2 4.18Å
350S93.3Very high94Very high68 Ų6842.8 Ų42.848%0.47624%0.237SC..Hα-helixtrans-93.8-4.317657.50000113.7S346 I347 L348S346-S350 WeakPolarHBondContact O-CB 3.43Å; S346-S350 PolarHBondContact O-N 2.86Å; S346-S350 PolarHBondContact O-OG 3.46Å; I347-S350 PolarHBondContact O-N 3.26Å; I347-S350 PolarHBondContact O-OG 2.95Å; L348-S350 PolarHBondContact O-N 3.47Å
351L91.1Very high94Very high80 Ų8045.8 Ų45.842%0.41925%0.249SC..  trans-76.8130176.5-61.9179000110.9I347 L348 T353 F354I347-L351 WeakPolarHBondContact O-CG 3.46Å; I347-L351 PolarHBondContact O-N 2.93Å; L348-L351 HydrophobicContact CD1-CD1 4.4Å; L348-L351 PolarHBondContact O-N 2.88Å; L351-T353 PolarHBondContact O-N 2.61Å; L351-F354 HydrophobicContact CB-CB 4.14Å; L351-F354 VanDerWaalsContact O-CB 3.25Å; L351-F354 WeakPolarHBondContact O-CB 3.48Å; L351-F354 PolarHBondContact O-N 3.14Å
352S87.1Confident93.9Very high89 Ų8951.4 Ų51.462%0.62228%0.275SS*.G310 helixtrans-59.7-32.6174.555.90000112.9F354 Q355S352-F354 PolarHBondContact O-N 2.94Å; S352-Q355 WeakPolarHBondContact O-CB 3.49Å; S352-Q355 WeakPolarHBondContact O-CG 3.28Å; S352-Q355 PolarHBondContact O-N 2.89Å
353T87.3Confident93.9Very high104 Ų10454.1 Ų54.164%0.63829%0.288SS*.G310 helixtrans-67.5-20.417551.50000113.2L351 Q355L351-T353 PolarHBondContact O-N 2.61Å; T353-Q355 VanDerWaalsContact C-N 3.32Å
354F88.4Confident93.9Very high8 Ų853.4 Ų53.44%0.03528%0.283CS..G310 helixtrans-78.8-17178.3-170.6-108.6000112.8L106 Y135 L348 L351 S352 Q356 M357 W358L106-F354 HydrophobicContact CD1-CE1 4.17Å; L106-F354 HydrophobicContact CD1-CZ 4.05Å; Y135-F354 HydrophobicContact CD1-CE2 4.08Å; Y135-F354 AromaticContact CD1-CZ 3.54Å; Y135-F354 HydrophobicContact CD1-CZ 3.54Å; Y135-F354 HydrophobicContact CD2-CE2 4.23Å; Y135-F354 AromaticContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CE1-CE2 4.09Å; Y135-F354 HydrophobicContact CE1-CZ 4.04Å; Y135-F354 HydrophobicContact CE2-CE2 4.26Å; Y135-F354 HydrophobicContact CE2-CZ 4.37Å; Y135-F354 HydrophobicContact CG-CE1 4.39Å; Y135-F354 HydrophobicContact CG-CE2 4.14Å; Y135-F354 AromaticContact CG-CZ 3.46Å; Y135-F354 HydrophobicContact CG-CZ 3.46Å; Y135-F354 VanDerWaalsContact CG-CZ 3.46Å; L348-F354 HydrophobicContact CD1-CD2 3.64Å; L348-F354 HydrophobicContact CD1-CE2 3.98Å; L348-F354 HydrophobicContact CD1-CG 4.3Å; L348-F354 HydrophobicContact CD2-CD2 4.2Å; L348-F354 HydrophobicContact CD2-CE2 3.67Å; L348-F354 HydrophobicContact CD2-CZ 4.07Å; L348-F354 HydrophobicContact CG-CD2 3.65Å; L348-F354 HydrophobicContact CG-CE2 3.61Å; L348-F354 HydrophobicContact CG-CG 4.15Å; L348-F354 HydrophobicContact CG-CZ 4.07Å; L348-F354 WeakPolarHBondContact O-CB 3.28Å; L348-F354 VanDerWaalsContact O-CG 3.32Å; L348-F354 WeakPolarHBondContact O-CG 3.5Å; L351-F354 HydrophobicContact CB-CB 4.14Å; L351-F354 VanDerWaalsContact O-CB 3.25Å; L351-F354 WeakPolarHBondContact O-CB 3.48Å; L351-F354 PolarHBondContact O-N 3.14Å; S352-F354 PolarHBondContact O-N 2.94Å; F354-Q356 PolarHBondContact O-N 2.85Å; F354-M357 HydrophobicContact CD2-CB 3.81Å; F354-M357 HydrophobicContact CD2-CG 4.04Å; F354-M357 HydrophobicContact CE2-CB 3.8Å; F354-M357 HydrophobicContact CE2-CG 4.36Å; F354-M357 HydrophobicContact CG-CB 4.45Å; F354-M357 HydrophobicContact CZ-CB 4.45Å; F354-M357 WeakPolarHBondContact O-CB 3.2Å; F354-M357 PolarHBondContact O-N 3.24Å; F354-W358 HydrophobicContact CD1-CD2 4.44Å; F354-W358 AromaticContact CD1-CE2 3.76Å; F354-W358 AromaticContact CD1-CZ2 3.91Å; F354-W358 HydrophobicContact CD1-CZ2 3.91Å; F354-W358 AromaticContact CD1-NE1 3.81Å; F354-W358 HydrophobicContact CE1-CD2 4.02Å; F354-W358 AromaticContact CE1-CE2 3.62Å; F354-W358 HydrophobicContact CE1-CE3 4.34Å; F354-W358 AromaticContact CE1-CH2 3.96Å; F354-W358 HydrophobicContact CE1-CH2 3.96Å; F354-W358 AromaticContact CE1-CZ2 3.59Å; F354-W358 HydrophobicContact CE1-CZ2 3.59Å; F354-W358 HydrophobicContact CE1-CZ3 4.31Å
355Q83.8Confident93.9Very high91 Ų9158.8 Ų58.843%0.42531%0.312SS..G310 helixtrans-54-32.7179.4-71.6174.3-4.600113.1E6 S352 T353 M357E6-Q355 VanDerWaalsContact OE1-CD 3.23Å; E6-Q355 WeakPolarHBondContact OE1-CG 3.46Å; E6-Q355 PolarHBondContact OE1-NE2 2.81Å; E6-Q355 PolarHBondContact OE2-NE2 3.07Å; S352-Q355 WeakPolarHBondContact O-CB 3.49Å; S352-Q355 WeakPolarHBondContact O-CG 3.28Å; S352-Q355 PolarHBondContact O-N 2.89Å; T353-Q355 VanDerWaalsContact C-N 3.32Å; Q355-M357 VanDerWaalsContact C-N 3.32Å; Q355-M357 PolarHBondContact O-N 3.06Å
356Q86.8Confident93.9Very high168 Ų16865.6 Ų65.679%0.78534%0.344SS*.G310 helixtrans-77.1-16.7-179.9-60.9179.62.300113.6F354F354-Q356 PolarHBondContact O-N 2.85Å
357M92.6Very high93.8Very high72 Ų7267.2 Ų67.236%0.35536%0.357SS..THydrogen-bonded Turntrans-87.8-19.6-176.7-63-60.6-6500113Y135 F354 Q355 I359Y135-M357 HydrophobicContact CD2-CB 4.36Å; Y135-M357 WeakPolarHBondContact CD2-O 3.25Å; Y135-M357 HydrophobicContact CE2-CB 4.18Å; Y135-M357 HydrophobicContact CE2-CE 4.29Å; F354-M357 HydrophobicContact CD2-CB 3.81Å; F354-M357 HydrophobicContact CD2-CG 4.04Å; F354-M357 HydrophobicContact CE2-CB 3.8Å; F354-M357 HydrophobicContact CE2-CG 4.36Å; F354-M357 HydrophobicContact CG-CB 4.45Å; F354-M357 HydrophobicContact CZ-CB 4.45Å; F354-M357 WeakPolarHBondContact O-CB 3.2Å; F354-M357 PolarHBondContact O-N 3.24Å; Q355-M357 VanDerWaalsContact C-N 3.32Å; Q355-M357 PolarHBondContact O-N 3.06Å; M357-I359 PolarHBondContact O-N 2.88Å
358W96.1Very high93.9Very high28 Ų2864.7 Ų64.711%0.10635%0.35CS..PPolyproline II helixtrans-55.9139.3175.4-69.5117.6000111.2A9 P104 L106 A133 A349 F354 K375A9-W358 HydrophobicContact CB-CH2 3.92Å; A9-W358 HydrophobicContact CB-CZ2 3.7Å; P104-W358 HydrophobicContact CB-CD2 4.31Å; P104-W358 HydrophobicContact CB-CE3 4.32Å; P104-W358 HydrophobicContact CB-CH2 4Å; P104-W358 HydrophobicContact CB-CZ2 3.98Å; P104-W358 HydrophobicContact CB-CZ3 4.18Å; L106-W358 HydrophobicContact CB-CH2 3.94Å; L106-W358 HydrophobicContact CB-CZ3 4.29Å; A133-W358 HydrophobicContact CB-CB 4.1Å; A133-W358 HydrophobicContact CB-CG 4.46Å; A349-W358 HydrophobicContact CB-CH2 4.4Å; A349-W358 HydrophobicContact CB-CZ2 4.18Å; F354-W358 HydrophobicContact CD1-CD2 4.44Å; F354-W358 AromaticContact CD1-CE2 3.76Å; F354-W358 AromaticContact CD1-CZ2 3.91Å; F354-W358 HydrophobicContact CD1-CZ2 3.91Å; F354-W358 AromaticContact CD1-NE1 3.81Å; F354-W358 HydrophobicContact CE1-CD2 4.02Å; F354-W358 AromaticContact CE1-CE2 3.62Å; F354-W358 HydrophobicContact CE1-CE3 4.34Å; F354-W358 AromaticContact CE1-CH2 3.96Å; F354-W358 HydrophobicContact CE1-CH2 3.96Å; F354-W358 AromaticContact CE1-CZ2 3.59Å; F354-W358 HydrophobicContact CE1-CZ2 3.59Å; F354-W358 HydrophobicContact CE1-CZ3 4.31Å; W358-K375 PolarHBondContact O-NZ 3.08Å
359I97.8Very high93.9Very high0 Ų065.2 Ų65.20%036%0.355CS..EExtended strand (participates in β ladder)trans-85.7117.7164.7-58.9160.6000105.6F126 A133 M134 M357 E363 I371 V372 K375F126-I359 HydrophobicContact CE2-CG2 3.88Å; F126-I359 HydrophobicContact CZ-CB 4.31Å; F126-I359 HydrophobicContact CZ-CG2 3.86Å; F126-I359 WeakPolarHBondContact CZ-O 3.46Å; A133-I359 CarbonylContact C-O 3.42Å; A133-I359 WeakPolarHBondContact CA-O 3.31Å; A133-I359 WeakPolarHBondContact CB-O 3.46Å; M134-I359 PolarHBondContact N-O 2.81Å; M134-I359 WeakPolarHBondContact O-CB 3.38Å; M134-I359 PolarHBondContact O-N 2.85Å; M357-I359 PolarHBondContact O-N 2.88Å; I359-E363 WeakPolarHBondContact CA-OE2 3.21Å; I359-E363 HydrophobicContact CG2-CB 4.44Å; I359-I371 HydrophobicContact CD1-CG2 4.46Å; I359-I371 HydrophobicContact CG2-CB 4.5Å; I359-I371 HydrophobicContact CG2-CG1 4.07Å; I359-I371 HydrophobicContact CG2-CG2 3.56Å; I359-V372 HydrophobicContact CD1-CB 3.97Å; I359-V372 HydrophobicContact CD1-CG2 3.85Å; I359-K375 HydrophobicContact CD1-CB 4.35Å; I359-K375 HydrophobicContact CG1-CB 3.89Å; I359-K375 HydrophobicContact CG1-CD 3.83Å; I359-K375 HydrophobicContact CG1-CG 4.3Å
360S97.5Very high94Very high39 Ų3966.8 Ų66.827%0.27337%0.365SS..EExtended strand (participates in β ladder)trans-82.6159.7175.474.40000111.4Q362 E363 Y364S360-Q362 PolarHBondContact O-N 2.8Å; S360-Q362 PolarHBondContact OG-N 2.9Å; S360-E363 PolarHBondContact N-OE2 2.81Å; S360-E363 PolarHBondContact O-N 2.89Å; S360-E363 VanDerWaalsContact O-N 3.15Å; S360-E363 WeakPolarHBondContact OG-CG 3.21Å; S360-E363 PolarHBondContact OG-N 3.31Å; S360-E363 VanDerWaalsContact OG-N 3.16Å; S360-Y364 PolarHBondContact O-N 3.02Å
361K97.1Very high94.2Very high64 Ų6464.2 Ų64.228%0.27835%0.346SS..Hα-helixtrans-56.4-36.4171.9-168.4179.4-177.189.60111.8F126 N130 P132 Y364 D365F126-K361 HydrophobicContact CD1-CB 4.09Å; F126-K361 HydrophobicContact CD1-CG 4.13Å; F126-K361 HydrophobicContact CE1-CB 4.03Å; F126-K361 PolarHBondContact O-NZ 2.85Å; N130-K361 PolarHBondContact OD1-NZ 2.95Å; P132-K361 PolarHBondContact O-N 3.1Å; K361-Y364 WeakPolarHBondContact O-CB 3.4Å; K361-Y364 PolarHBondContact O-N 2.63Å; K361-D365 VanDerWaalsContact O-CG 3.22Å; K361-D365 PolarHBondContact O-N 3.45Å
362Q97.3Very high94.4Very high128 Ų12860.4 Ų60.460%0.59833%0.326SS*.Hα-helixtrans-61.4-47.6175.4-177.2-176-4.800112S360 Y364 D365 E366S360-Q362 PolarHBondContact O-N 2.8Å; S360-Q362 PolarHBondContact OG-N 2.9Å; Q362-Y364 VanDerWaalsContact C-N 3.25Å; Q362-Y364 PolarHBondContact O-N 3Å; Q362-D365 PolarHBondContact O-N 3.34Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.37Å; Q362-E366 PolarHBondContact NE2-OE1 3Å; Q362-E366 WeakPolarHBondContact O-CG 3.18Å; Q362-E366 PolarHBondContact O-N 3.31Å; Q362-E366 VanDerWaalsContact O-N 3.07Å
363E97.4Very high94.7Very high56 Ų5658 Ų5826%0.26231%0.305SS..Hα-helixtrans-63.5-35178.3-69.4176.8127.700111.8I359 S360 A367 I371 K375I359-E363 WeakPolarHBondContact CA-OE2 3.21Å; I359-E363 HydrophobicContact CG2-CB 4.44Å; S360-E363 PolarHBondContact N-OE2 2.81Å; S360-E363 PolarHBondContact O-N 2.89Å; S360-E363 VanDerWaalsContact O-N 3.15Å; S360-E363 WeakPolarHBondContact OG-CG 3.21Å; S360-E363 PolarHBondContact OG-N 3.31Å; S360-E363 VanDerWaalsContact OG-N 3.16Å; E363-A367 WeakPolarHBondContact O-CB 3.28Å; E363-A367 PolarHBondContact O-N 2.9Å; E363-I371 HydrophobicContact CB-CG1 4.31Å; E363-K375 WeakPolarHBondContact OE1-CE 3.46Å; E363-K375 IonicContact OE1-NZ 2.82Å; E363-K375 PolarHBondContact OE1-NZ 3.39Å; E363-K375 IonicContact OE2-NZ 3.05Å; E363-K375 PolarHBondContact OE2-NZ 2.77Å
364Y98.2Very high94.9Very high11 Ų1161.2 Ų61.24%0.04331%0.305CS..Hα-helixtrans-65.2-47.5172.8177-95.7000112.3T122 F126 E127 S360 K361 Q362 E366 A367 G368 P369T122-Y364 HydrophobicContact CG2-CD2 3.81Å; T122-Y364 HydrophobicContact CG2-CE2 3.89Å; F126-Y364 HydrophobicContact CB-CD1 3.7Å; F126-Y364 HydrophobicContact CB-CD2 4.35Å; F126-Y364 HydrophobicContact CB-CE1 3.79Å; F126-Y364 HydrophobicContact CB-CE2 4.4Å; F126-Y364 HydrophobicContact CB-CG 3.99Å; F126-Y364 HydrophobicContact CD2-CD1 4.02Å; F126-Y364 AromaticContact CD2-CD2 3.35Å; F126-Y364 HydrophobicContact CD2-CD2 3.35Å; F126-Y364 AromaticContact CD2-CE2 3.94Å; F126-Y364 HydrophobicContact CD2-CE2 3.94Å; F126-Y364 AromaticContact CD2-CG 3.38Å; F126-Y364 HydrophobicContact CD2-CG 3.38Å; F126-Y364 AromaticContact CE2-CD2 3.86Å; F126-Y364 HydrophobicContact CE2-CD2 3.86Å; F126-Y364 AromaticContact CE2-CG 3.89Å; F126-Y364 HydrophobicContact CE2-CG 3.89Å; F126-Y364 AromaticContact CG-CD1 3.93Å; F126-Y364 HydrophobicContact CG-CD1 3.93Å; F126-Y364 HydrophobicContact CG-CD2 4.11Å; F126-Y364 HydrophobicContact CG-CE1 4.45Å; F126-Y364 AromaticContact CG-CG 3.74Å; F126-Y364 HydrophobicContact CG-CG 3.74Å; E127-Y364 HydrophobicContact CG-CE1 4.06Å; E127-Y364 PolarHBondContact OE1-OH 3.48Å; S360-Y364 PolarHBondContact O-N 3.02Å; K361-Y364 WeakPolarHBondContact O-CB 3.4Å; K361-Y364 PolarHBondContact O-N 2.63Å; Q362-Y364 VanDerWaalsContact C-N 3.25Å; Q362-Y364 PolarHBondContact O-N 3Å; Y364-E366 PolarHBondContact O-N 3.36Å; Y364-A367 PolarHBondContact O-N 2.97Å; Y364-G368 WeakPolarHBondContact O-CA 3.44Å; Y364-G368 PolarHBondContact O-N 3.11Å; Y364-P369 HydrophobicContact CE2-CB 4.19Å; Y364-P369 HydrophobicContact CE2-CG 3.81Å
365D97.8Very high95Very high113 Ų11362.8 Ų62.860%0.60431%0.312SS*.Hα-helixtrans-63-30.4-179.7-68.2-21.9000111.8K361 Q362K361-D365 VanDerWaalsContact O-CG 3.22Å; K361-D365 PolarHBondContact O-N 3.45Å; Q362-D365 PolarHBondContact O-N 3.34Å
366E97.5Very high95.2Very high144 Ų14458.6 Ų58.667%0.67329%0.293SS*.Hα-helixtrans-81.7-40.2178.3-70.4176.2-165.200113.9Q362 Y364Q362-E366 WeakPolarHBondContact CG-OE1 3.37Å; Q362-E366 PolarHBondContact NE2-OE1 3Å; Q362-E366 WeakPolarHBondContact O-CG 3.18Å; Q362-E366 PolarHBondContact O-N 3.31Å; Q362-E366 VanDerWaalsContact O-N 3.07Å; Y364-E366 PolarHBondContact O-N 3.36Å
367A96.9Very high94.6Very high36 Ų3657.8 Ų57.830%0.29829%0.287SS..Hα-helixtrans-112.3-6.2-171.100000114.7E363 Y364 S370 I371E363-A367 WeakPolarHBondContact O-CB 3.28Å; E363-A367 PolarHBondContact O-N 2.9Å; Y364-A367 PolarHBondContact O-N 2.97Å; A367-S370 PolarHBondContact O-OG 2.97Å; A367-I371 HydrophobicContact CB-CB 4.08Å; A367-I371 HydrophobicContact CB-CD1 4.25Å; A367-I371 HydrophobicContact CB-CG1 4.49Å
368G97.1Very high94.8Very high22 Ų2257.1 Ų57.123%0.22728%0.284CS..  trans65-168.7-173.600000113.7Y364 S370 I371Y364-G368 WeakPolarHBondContact O-CA 3.44Å; Y364-G368 PolarHBondContact O-N 3.11Å; G368-S370 PolarHBondContact O-N 2.72Å; G368-I371 VanDerWaalsContact O-CG2 3.23Å; G368-I371 WeakPolarHBondContact O-CG2 3.46Å; G368-I371 PolarHBondContact O-N 3.48Å
369P96.4Very high94.7Very high37 Ų3758.6 Ų58.624%0.2429%0.293CS..G310 helixtrans-56-27.7-177.6-2632.5000115.1E119 Q123 Y364 I371 V372E119-P369 HydrophobicContact CB-CB 3.77Å; E119-P369 HydrophobicContact CG-CB 4.09Å; Q123-P369 HydrophobicContact CB-CG 4.43Å; Y364-P369 HydrophobicContact CE2-CB 4.19Å; Y364-P369 HydrophobicContact CE2-CG 3.81Å; P369-I371 PolarHBondContact O-N 3.43Å; P369-I371 VanDerWaalsContact O-N 3.07Å; P369-V372 VanDerWaalsContact O-CG1 3.28Å; P369-V372 WeakPolarHBondContact O-CG1 3.29Å; P369-V372 PolarHBondContact O-N 2.84Å
370S96.7Very high94.5Very high45 Ų4561.8 Ų61.832%0.31531%0.309SS..G310 helixtrans-62.5-16.9-177.375.60000114.2A367 G368 V372 H373A367-S370 PolarHBondContact O-OG 2.97Å; G368-S370 PolarHBondContact O-N 2.72Å; S370-V372 PolarHBondContact O-N 3.44Å; S370-V372 VanDerWaalsContact O-N 3.16Å; S370-H373 PolarHBondContact O-N 3.3Å; S370-H373 VanDerWaalsContact O-N 3.09Å
371I96.6Very high94.3Very high13 Ų1363.2 Ų63.27%0.06731%0.311CS..G310 helixtrans-55.4-31.6176.3-17156.8000112.4I359 E363 A367 G368 P369 H373 R374 K375I359-I371 HydrophobicContact CD1-CG2 4.46Å; I359-I371 HydrophobicContact CG2-CB 4.5Å; I359-I371 HydrophobicContact CG2-CG1 4.07Å; I359-I371 HydrophobicContact CG2-CG2 3.56Å; E363-I371 HydrophobicContact CB-CG1 4.31Å; A367-I371 HydrophobicContact CB-CB 4.08Å; A367-I371 HydrophobicContact CB-CD1 4.25Å; A367-I371 HydrophobicContact CB-CG1 4.49Å; G368-I371 VanDerWaalsContact O-CG2 3.23Å; G368-I371 WeakPolarHBondContact O-CG2 3.46Å; G368-I371 PolarHBondContact O-N 3.48Å; P369-I371 PolarHBondContact O-N 3.43Å; P369-I371 VanDerWaalsContact O-N 3.07Å; I371-H373 PolarHBondContact O-N 3.06Å; I371-H373 VanDerWaalsContact O-N 3.15Å; I371-R374 HydrophobicContact CD1-CB 4.44Å; I371-R374 PolarHBondContact O-N 2.92Å; I371-K375 PolarHBondContact O-N 3.11Å
372V96.1Very high94.2Very high0 Ų063.1 Ų63.10%031%0.313CS..Hα-helixtrans-60.3-28.5-179.776.20000112.5R118 E119 V136 I359 P369 S370 R374 C376R118-V372 HydrophobicContact CB-CG1 4.37Å; R118-V372 HydrophobicContact CG-CB 4.46Å; R118-V372 HydrophobicContact CG-CG1 3.82Å; R118-V372 HydrophobicContact CG-CG2 3.77Å; E119-V372 HydrophobicContact CG-CG1 4.36Å; V136-V372 HydrophobicContact CB-CG2 4.34Å; V136-V372 HydrophobicContact CG2-CG2 4.03Å; I359-V372 HydrophobicContact CD1-CB 3.97Å; I359-V372 HydrophobicContact CD1-CG2 3.85Å; P369-V372 VanDerWaalsContact O-CG1 3.28Å; P369-V372 WeakPolarHBondContact O-CG1 3.29Å; P369-V372 PolarHBondContact O-N 2.84Å; S370-V372 PolarHBondContact O-N 3.44Å; S370-V372 VanDerWaalsContact O-N 3.16Å; V372-R374 VanDerWaalsContact C-N 3.3Å; V372-R374 PolarHBondContact O-N 3.19Å; V372-C376 HydrophobicContact CG2-CB 4.08Å; V372-C376 VanDerWaalsContact O-CB 3.25Å; V372-C376 WeakPolarHBondContact O-CB 3.29Å; V372-C376 PolarHBondContact O-N 2.9Å
373H93.9Very high94Very high40 Ų4058.8 Ų58.819%0.18529%0.294CS..Hα-helixtrans-78.3-13.1177.4-61.8-44.9000114.2E119 S370 I371E119-H373 WeakPolarHBondContact CG-NE2 3.43Å; E119-H373 IonicContact OE1-CD2 3.78Å; E119-H373 PolarHBondContact OE1-CD2 3.31Å; E119-H373 IonicContact OE1-NE2 3.25Å; E119-H373 PolarHBondContact OE1-NE2 3.07Å; S370-H373 PolarHBondContact O-N 3.3Å; S370-H373 VanDerWaalsContact O-N 3.09Å; I371-H373 PolarHBondContact O-N 3.06Å; I371-H373 VanDerWaalsContact O-N 3.15Å
374R90.9Very high93.7Very high171 Ų17159 Ų5965%0.64530%0.297SS*.Hα-helixtrans-95.3-26177.4-59.1-176.8-172.5170.44.4112.5I371 V372 F377I371-R374 HydrophobicContact CD1-CB 4.44Å; I371-R374 PolarHBondContact O-N 2.92Å; V372-R374 VanDerWaalsContact C-N 3.3Å; V372-R374 PolarHBondContact O-N 3.19Å; R374-F377 WeakPolarHBondContact O-CE2 3.47Å; R374-F377 WeakPolarHBondContact O-CZ 3.38Å
375K90.3Very high93.4Very high41 Ų4162.7 Ų62.718%0.17832%0.316CS..Hα-helixtrans-106.4-31.8-177.5-75.6-157.7166.2-174.20114.4W358 I359 E363 I371W358-K375 PolarHBondContact O-NZ 3.08Å; I359-K375 HydrophobicContact CD1-CB 4.35Å; I359-K375 HydrophobicContact CG1-CB 3.89Å; I359-K375 HydrophobicContact CG1-CD 3.83Å; I359-K375 HydrophobicContact CG1-CG 4.3Å; E363-K375 WeakPolarHBondContact OE1-CE 3.46Å; E363-K375 IonicContact OE1-NZ 2.82Å; E363-K375 PolarHBondContact OE1-NZ 3.39Å; E363-K375 IonicContact OE2-NZ 3.05Å; E363-K375 PolarHBondContact OE2-NZ 2.77Å; I371-K375 PolarHBondContact O-N 3.11Å
376C88Confident93Very high3 Ų358.5 Ų58.52%0.0229%0.292CS..  trans-104.2107.9-177-56.80000110.8R118 Y135 V136 V372R118-C376 PolarHBondContact NH1-O 3.06Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.36Å; Y135-C376 HydrophobicContact CE2-CB 4.22Å; Y135-C376 VanDerWaalsContact CE2-SG 3.51Å; V136-C376 HydrophobicContact CB-CB 4.46Å; V136-C376 PolarHBondContact N-SG 3.05Å; V136-C376 VanDerWaalsContact N-SG 3.38Å; V136-C376 VanDerWaalsContact O-CB 3.29Å; V136-C376 WeakPolarHBondContact O-CB 3.38Å; V372-C376 HydrophobicContact CG2-CB 4.08Å; V372-C376 VanDerWaalsContact O-CB 3.25Å; V372-C376 WeakPolarHBondContact O-CB 3.29Å; V372-C376 PolarHBondContact O-N 2.9Å
377F75.6Confident92.6Very high150 Ų15050.7 Ų50.766%0.65826%0.258SS*.  trans-109.30-179.3-64.1-74.7000113.2I138 R374I138-F377 WeakPolarHBondContact CD1-OXT 3.26Å; R374-F377 WeakPolarHBondContact O-CE2 3.47Å; R374-F377 WeakPolarHBondContact O-CZ 3.38Å

Retrieved 377 of 377 residues in 2801.9 ms (Link to these results)

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