A0A5K4F9S6_SCHMA Loading...

Lim homeobox protein

AlphaFold DB , UniProt , Accession A0A5K4F9S6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 601 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
1M44.6Very low75.6Confident232 Ų232102.6 Ų102.6100%1.14356%0.56SS**  01320-66.7169.7179.300107.1N3M1-N3 PolarHBondContact O-N 3.31Å
2I54.7Low77.1Confident152 Ų15298.2 Ų98.278%0.77954%0.541SS*.  trans-81115.4172.4-58.2175.3000106I4I2-I4 HydrophobicContact CB-CG1 4.35Å; I2-I4 HydrophobicContact CG2-CG1 3.78Å; I2-I4 PolarHBondContact O-N 3.01Å
3N53.7Low78.3Confident147 Ų147100.8 Ų100.879%0.78655%0.547SS*.  trans-74.980.5173.7-72.3-14.1000108.5M1 I5M1-N3 PolarHBondContact O-N 3.31Å; N3-I5 PolarHBondContact O-N 3.45Å
4I69Low79.4Confident136 Ų136102 Ų10270%0.69755%0.547SS*.  trans-70.6108.9170.8-55.9176.6000106.4I2 P6I2-I4 HydrophobicContact CB-CG1 4.35Å; I2-I4 HydrophobicContact CG2-CG1 3.78Å; I2-I4 PolarHBondContact O-N 3.01Å; I4-P6 WeakPolarHBondContact O-CD 3.47Å
5I76.6Confident80.2Confident150 Ų15097.5 Ų97.577%0.76953%0.526SS*.PPolyproline II helixtrans-69.5116.3172.3-59.8174.4000106.4N3N3-I5 PolarHBondContact O-N 3.45Å
6P77.9Confident80.9Confident39 Ų3992.4 Ų92.425%0.25350%0.498SS..PPolyproline II helixtrans-67.5139-17928.9-35.1000110.1I4 P15 W17I4-P6 WeakPolarHBondContact O-CD 3.47Å; P6-P15 HydrophobicContact CB-CB 3.64Å; P6-P15 HydrophobicContact CG-CB 3.63Å; P6-W17 HydrophobicContact CB-CH2 3.78Å; P6-W17 HydrophobicContact CB-CZ2 4Å; P6-W17 HydrophobicContact CB-CZ3 4.07Å; P6-W17 HydrophobicContact CG-CH2 3.77Å; P6-W17 HydrophobicContact CG-CZ2 3.88Å
7L87.2Confident81.2Confident98 Ų9898.2 Ų98.251%0.51351%0.511SS..PPolyproline II helixtrans-70.1131.4175.9-65164000108.7I16 L21 T28L7-I16 WeakPolarHBondContact O-CG1 3.29Å; L7-I16 PolarHBondContact O-N 3.1Å; L7-L21 HydrophobicContact CD1-CD2 3.84Å; L7-T28 HydrophobicContact CB-CG2 4.31Å; L7-T28 HydrophobicContact CD1-CG2 4.21Å
8L92.3Very high81.4Confident102 Ų10296.9 Ų96.953%0.53451%0.505SS..BIsolated β-bridgetrans-84.7139.5-179.5-59.6-179.6000110.6A10 P15 T28L8-A10 PolarHBondContact O-N 3.13Å; L8-P15 HydrophobicContact CD2-CB 4.14Å; L8-T28 PolarHBondContact O-OG1 3.15Å
9C94Very high81.6Confident1 Ų198.1 Ų98.11%0.00752%0.519CS..PPolyproline II helixtrans-73.3124.9173.41740000110.9G11 H13 Q14 I16 T28 H30 C33C9-G11 PolarHBondContact O-N 3.21Å; C9-G11 PolarHBondContact SG-N 3.47Å; C9-G11 VanDerWaalsContact SG-N 3.36Å; C9-H13 WeakPolarHBondContact O-CA 3.43Å; C9-H13 PolarHBondContact O-N 3.05Å; C9-Q14 PolarHBondContact N-O 2.73Å; C9-I16 HydrophobicContact CB-CD1 4.11Å; C9-I16 HydrophobicContact CB-CG1 3.83Å; C9-T28 CarbonylContact C-O 3.51Å; C9-T28 VanDerWaalsContact CA-O 3.29Å; C9-T28 WeakPolarHBondContact CA-O 3.46Å; C9-H30 WeakPolarHBondContact CB-CE1 3.28Å; C9-H30 WeakPolarHBondContact CB-ND1 3.45Å; C9-H30 PolarHBondContact SG-N 3.25Å; C9-H30 PolarHBondContact SG-ND1 2.85Å; C9-H30 VanDerWaalsContact SG-ND1 3.37Å; C9-C33 VanDerWaalsContact SG-CB 3.52Å; C9-C33 VanDerWaalsContact SG-SG 3.65Å
10A91.2Very high81.8Confident30 Ų30102.7 Ų102.725%0.24853%0.53CS..THydrogen-bonded Turntrans-64.6-21.8178.200000114L8 H13 N27 T28 W29L8-A10 PolarHBondContact O-N 3.13Å; A10-H13 PolarHBondContact O-CE1 3.08Å; A10-H13 VanDerWaalsContact O-CE1 3.29Å; A10-N27 HydrophobicContact CB-CB 3.78Å; A10-T28 PolarHBondContact N-O 3Å; A10-W29 HydrophobicContact CB-CD2 4.14Å; A10-W29 HydrophobicContact CB-CE3 4.44Å; A10-W29 HydrophobicContact CB-CH2 4.04Å; A10-W29 HydrophobicContact CB-CZ2 3.72Å; A10-W29 HydrophobicContact CB-CZ3 4.4Å
11G90.1Very high82.1Confident42 Ų42101.4 Ų101.443%0.43352%0.524SS..THydrogen-bonded Turntrans-83-39.1178.700000115.4C9C9-G11 PolarHBondContact O-N 3.21Å; C9-G11 PolarHBondContact SG-N 3.47Å; C9-G11 VanDerWaalsContact SG-N 3.36Å
12C93.9Very high84.1Confident49 Ų4992.1 Ų92.133%0.33148%0.479SS..THydrogen-bonded Turntrans-122.2-1.2-176.568.90000114.7Q14 H30 C33C12-Q14 PolarHBondContact O-N 3.16Å; C12-Q14 PolarHBondContact O-NE2 3.34Å; C12-H30 PolarHBondContact SG-CE1 3.49Å; C12-H30 PolarHBondContact SG-ND1 2.65Å; C12-C33 VanDerWaalsContact SG-SG 3.69Å
13H93Very high85.7Confident133 Ų13388.5 Ų88.562%0.61647%0.466SS*.  trans57.112.4-177.7-50.4-56.6000115.7C9 A10C9-H13 WeakPolarHBondContact O-CA 3.43Å; C9-H13 PolarHBondContact O-N 3.05Å; A10-H13 PolarHBondContact O-CE1 3.08Å; A10-H13 VanDerWaalsContact O-CE1 3.29Å
14Q93Very high87.3Confident117 Ų11781.7 Ų81.755%0.54743%0.43SS..  trans-85.8149.9173.5-57.8-49.4-57.300111.5C9 C12C9-Q14 PolarHBondContact N-O 2.73Å; C12-Q14 PolarHBondContact O-N 3.16Å; C12-Q14 PolarHBondContact O-NE2 3.34Å
15P91.8Very high88Confident35 Ų3577.9 Ų77.923%0.22741%0.411CS..BIsolated β-bridgetrans-61.4133.1171.725.4-35000111.9P6 L8 W17P6-P15 HydrophobicContact CB-CB 3.64Å; P6-P15 HydrophobicContact CG-CB 3.63Å; L8-P15 HydrophobicContact CD2-CB 4.14Å; P15-W17 HydrophobicContact CB-CZ2 3.98Å; P15-W17 HydrophobicContact CG-CZ2 4.15Å; P15-W17 VanDerWaalsContact O-CD1 3.29Å; P15-W17 PolarHBondContact O-N 3.06Å
16I90.8Very high88.3Confident16 Ų1679.4 Ų79.48%0.08241%0.414CS..  trans-81.8112.8177.4-55.8165.6000108.8L7 C9 D18 L21 H30L7-I16 WeakPolarHBondContact O-CG1 3.29Å; L7-I16 PolarHBondContact O-N 3.1Å; C9-I16 HydrophobicContact CB-CD1 4.11Å; C9-I16 HydrophobicContact CB-CG1 3.83Å; I16-D18 HydrophobicContact CG2-CB 4.2Å; I16-L21 HydrophobicContact CD1-CB 4.29Å; I16-L21 HydrophobicContact CG2-CB 3.92Å; I16-H30 WeakPolarHBondContact CA-NE2 3.41Å
17W86.8Confident88.8Confident190 Ų19080.8 Ų80.872%0.7242%0.419SS*.  trans-108-1.4173.8-55.6106.4000112.9P6 P15P6-W17 HydrophobicContact CB-CH2 3.78Å; P6-W17 HydrophobicContact CB-CZ2 4Å; P6-W17 HydrophobicContact CB-CZ3 4.07Å; P6-W17 HydrophobicContact CG-CH2 3.77Å; P6-W17 HydrophobicContact CG-CZ2 3.88Å; P15-W17 HydrophobicContact CB-CZ2 3.98Å; P15-W17 HydrophobicContact CG-CZ2 4.15Å; P15-W17 VanDerWaalsContact O-CD1 3.29Å; P15-W17 PolarHBondContact O-N 3.06Å
18D84.7Confident88.9Confident76 Ų7677.3 Ų77.341%0.40640%0.402SS..SBendtrans-63.1148.2179.9-66.8-18.3000110.9I16 Y20 H30I16-D18 HydrophobicContact CG2-CB 4.2Å; D18-Y20 WeakPolarHBondContact CB-O 3.31Å; D18-Y20 PolarHBondContact O-N 2.89Å; D18-Y20 VanDerWaalsContact O-N 3.1Å; D18-H30 IonicContact OD2-CD2 2.7Å; D18-H30 PolarHBondContact OD2-CD2 3.19Å; D18-H30 VanDerWaalsContact OD2-CD2 3.32Å
19P84.7Confident88.9Confident118 Ų11873.5 Ų73.577%0.76638%0.381SS*.SBendtrans-61-20.1176.7-22.733.6000113.9
20Y85.3Confident88.9Confident190 Ų19074.6 Ų74.675%0.74539%0.386SS*.  trans-130.8141.6179.9-52.8-71.6000109.1D18D18-Y20 WeakPolarHBondContact CB-O 3.31Å; D18-Y20 PolarHBondContact O-N 2.89Å; D18-Y20 VanDerWaalsContact O-N 3.1Å
21L87.8Confident88.8Confident76 Ų7678.7 Ų78.740%0.39840%0.4SS..  trans-130.7147.1174.368.378.7000109L7 I16 T28L7-L21 HydrophobicContact CD1-CD2 3.84Å; I16-L21 HydrophobicContact CD1-CB 4.29Å; I16-L21 HydrophobicContact CG2-CB 3.92Å; L21-T28 HydrophobicContact CD1-CG2 4.02Å
22L86.8Confident88.8Confident37 Ų3784.2 Ų84.219%0.19441%0.414CS..EExtended strand (participates in β ladder)trans-98.1126.4175.8-61.9176.2000109.1T28 W29 E31 V34 F600L22-T28 CarbonylContact O-C 3.5Å; L22-T28 WeakPolarHBondContact O-CA 3.49Å; L22-W29 HydrophobicContact CB-CB 4.43Å; L22-W29 PolarHBondContact N-O 2.89Å; L22-W29 PolarHBondContact O-N 3.37Å; L22-E31 HydrophobicContact CD1-CB 4.45Å; L22-E31 HydrophobicContact CD1-CG 4.44Å; L22-V34 HydrophobicContact CB-CG2 4.22Å; L22-V34 HydrophobicContact CD1-CB 4.3Å; L22-V34 HydrophobicContact CD1-CG2 3.64Å; L22-F600 HydrophobicContact CB-CD1 4.14Å; L22-F600 HydrophobicContact CB-CE1 4.13Å; L22-F600 HydrophobicContact CD1-CD1 4.18Å; L22-F600 HydrophobicContact CD1-CE1 3.98Å; L22-F600 HydrophobicContact CD1-CZ 4.48Å; L22-F600 HydrophobicContact CD2-CB 4.32Å; L22-F600 HydrophobicContact CD2-CD1 3.73Å; L22-F600 HydrophobicContact CD2-CE1 4.35Å; L22-F600 HydrophobicContact CD2-CG 4.15Å; L22-F600 HydrophobicContact CG-CD1 4.23Å; L22-F600 HydrophobicContact CG-CE1 4.38Å
23C88.7Confident88.8Confident77 Ų7783.2 Ų83.252%0.5241%0.408SS..EExtended strand (participates in β ladder)trans-101.1121.5173.4-168.40000109.1
24I87.1Confident88.8Confident3 Ų376.9 Ų76.92%0.01538%0.379CS..EExtended strand (participates in β ladder)trans-127.8117.3-179.1-47.4176.3000107.8H26 N27 W29 V34 V49 L54 T598 F600I24-H26 PolarHBondContact O-N 3.41Å; I24-N27 PolarHBondContact N-O 3.26Å; I24-N27 PolarHBondContact O-N 2.78Å; I24-W29 HydrophobicContact CD1-CD2 4.38Å; I24-W29 HydrophobicContact CD1-CG 4.08Å; I24-W29 HydrophobicContact CG1-CG 4.48Å; I24-V34 HydrophobicContact CD1-CB 4.47Å; I24-V34 HydrophobicContact CD1-CG1 3.72Å; I24-V34 HydrophobicContact CD1-CG2 3.84Å; I24-V49 HydrophobicContact CG2-CG2 3.63Å; I24-L54 HydrophobicContact CD1-CD1 3.89Å; I24-L54 HydrophobicContact CD1-CD2 4.09Å; I24-L54 HydrophobicContact CG2-CD2 4.05Å; I24-T598 HydrophobicContact CG2-CG2 4.12Å; I24-T598 WeakPolarHBondContact CG2-OG1 3.29Å; I24-F600 HydrophobicContact CD1-CE1 3.71Å; I24-F600 HydrophobicContact CD1-CZ 4.16Å; I24-F600 HydrophobicContact CG1-CE1 3.74Å
25D83.3Confident88.9Confident57 Ų5773.5 Ų73.531%0.30537%0.366SS..THydrogen-bonded Turntrans55.2-93-169.5-61.7-21.6000112.3V49 H596 T598D25-V49 WeakPolarHBondContact OD2-CB 3.27Å; D25-V49 WeakPolarHBondContact OD2-CG1 3.29Å; D25-V49 WeakPolarHBondContact OD2-CG2 3.4Å; D25-H596 IonicContact OD1-CE1 2.7Å; D25-H596 IonicContact OD1-CG 2.66Å; D25-H596 IonicContact OD1-ND1 3.32Å; D25-H596 PolarHBondContact OD1-ND1 3.3Å; D25-T598 WeakPolarHBondContact OD1-CG2 3.46Å
26H84Confident89.1Confident181 Ų18171.8 Ų71.884%0.83836%0.355SS*.THydrogen-bonded Turntrans-125.54.8178.5-58.2-35.4000112.8I24I24-H26 PolarHBondContact O-N 3.41Å
27N87.6Confident89.2Confident68 Ų6873.5 Ų73.536%0.36437%0.368SS..EExtended strand (participates in β ladder)trans-112.3139.8-171.9-74.8-19.3000111A10 I24 W29A10-N27 HydrophobicContact CB-CB 3.78Å; I24-N27 PolarHBondContact N-O 3.26Å; I24-N27 PolarHBondContact O-N 2.78Å; N27-W29 HydrophobicContact CB-CZ2 4.39Å; N27-W29 PolarHBondContact O-NE1 3.46Å
28T91.1Very high89.6Confident25 Ų2567.6 Ų67.615%0.15335%0.35CS..EExtended strand (participates in β ladder)trans-95.7143.6175.143.90000111.5L7 L8 C9 A10 L21 L22L7-T28 HydrophobicContact CB-CG2 4.31Å; L7-T28 HydrophobicContact CD1-CG2 4.21Å; L8-T28 PolarHBondContact O-OG1 3.15Å; C9-T28 CarbonylContact C-O 3.51Å; C9-T28 VanDerWaalsContact CA-O 3.29Å; C9-T28 WeakPolarHBondContact CA-O 3.46Å; A10-T28 PolarHBondContact N-O 3Å; L21-T28 HydrophobicContact CD1-CG2 4.02Å; L22-T28 CarbonylContact O-C 3.5Å; L22-T28 WeakPolarHBondContact O-CA 3.49Å
29W92Very high90.2Very high22 Ų2267 Ų678%0.08335%0.351CS..EExtended strand (participates in β ladder)trans-139.4144-174.5-55.176.9000111.5A10 L22 I24 N27 C33 V34 L54A10-W29 HydrophobicContact CB-CD2 4.14Å; A10-W29 HydrophobicContact CB-CE3 4.44Å; A10-W29 HydrophobicContact CB-CH2 4.04Å; A10-W29 HydrophobicContact CB-CZ2 3.72Å; A10-W29 HydrophobicContact CB-CZ3 4.4Å; L22-W29 HydrophobicContact CB-CB 4.43Å; L22-W29 PolarHBondContact N-O 2.89Å; L22-W29 PolarHBondContact O-N 3.37Å; I24-W29 HydrophobicContact CD1-CD2 4.38Å; I24-W29 HydrophobicContact CD1-CG 4.08Å; I24-W29 HydrophobicContact CG1-CG 4.48Å; N27-W29 HydrophobicContact CB-CZ2 4.39Å; N27-W29 PolarHBondContact O-NE1 3.46Å; W29-C33 HydrophobicContact CE3-CB 4.37Å; W29-V34 HydrophobicContact CB-CG2 3.52Å; W29-V34 HydrophobicContact CD2-CG2 4.4Å; W29-V34 HydrophobicContact CG-CG2 3.98Å; W29-L54 HydrophobicContact CD2-CD1 4.14Å; W29-L54 HydrophobicContact CE3-CD1 3.94Å; W29-L54 HydrophobicContact CH2-CD1 3.75Å; W29-L54 HydrophobicContact CH2-CG 3.91Å; W29-L54 HydrophobicContact CZ2-CD1 3.91Å; W29-L54 HydrophobicContact CZ2-CD2 4.19Å; W29-L54 HydrophobicContact CZ2-CG 4.04Å; W29-L54 HydrophobicContact CZ3-CD1 3.74Å; W29-L54 HydrophobicContact CZ3-CG 4.36Å
30H92.6Very high90.6Very high24 Ų2467.8 Ų67.811%0.11134%0.344CS..  trans-65147.8157.8-57.3108.6000109.1C9 C12 I16 D18 Q32 C33 V34C9-H30 WeakPolarHBondContact CB-CE1 3.28Å; C9-H30 WeakPolarHBondContact CB-ND1 3.45Å; C9-H30 PolarHBondContact SG-N 3.25Å; C9-H30 PolarHBondContact SG-ND1 2.85Å; C9-H30 VanDerWaalsContact SG-ND1 3.37Å; C12-H30 PolarHBondContact SG-CE1 3.49Å; C12-H30 PolarHBondContact SG-ND1 2.65Å; I16-H30 WeakPolarHBondContact CA-NE2 3.41Å; D18-H30 IonicContact OD2-CD2 2.7Å; D18-H30 PolarHBondContact OD2-CD2 3.19Å; D18-H30 VanDerWaalsContact OD2-CD2 3.32Å; H30-Q32 VanDerWaalsContact C-N 3.26Å; H30-Q32 PolarHBondContact O-N 3.39Å; H30-C33 HydrophobicContact CB-CB 4.11Å; H30-C33 PolarHBondContact O-N 2.92Å; H30-V34 PolarHBondContact O-N 3.32Å
31E90.2Very high91.1Very high116 Ų11661.2 Ų61.254%0.54233%0.326SS..G310 helixtrans-49.2-49.4174.3-172.1-179.9-178.400111.3L22 C33 V34 L42L22-E31 HydrophobicContact CD1-CB 4.45Å; L22-E31 HydrophobicContact CD1-CG 4.44Å; E31-C33 VanDerWaalsContact C-N 3.27Å; E31-C33 PolarHBondContact O-N 3.45Å; E31-V34 PolarHBondContact O-N 3.3Å; E31-L42 WeakPolarHBondContact O-CD1 3.28Å
32Q90.8Very high91.4Very high158 Ų15860.9 Ų60.974%0.73832%0.324SS*.G310 helixtrans-68-19.4-179.2-59.6175.823.500114.5H30H30-Q32 VanDerWaalsContact C-N 3.26Å; H30-Q32 PolarHBondContact O-N 3.39Å
33C93Very high91.6Very high29 Ų2959.7 Ų59.720%0.19632%0.317CS..G310 helixtrans-86.5-13.4179.7-70.30000113.1C9 C12 W29 H30 E31 T35C9-C33 VanDerWaalsContact SG-CB 3.52Å; C9-C33 VanDerWaalsContact SG-SG 3.65Å; C12-C33 VanDerWaalsContact SG-SG 3.69Å; W29-C33 HydrophobicContact CE3-CB 4.37Å; H30-C33 HydrophobicContact CB-CB 4.11Å; H30-C33 PolarHBondContact O-N 2.92Å; E31-C33 VanDerWaalsContact C-N 3.27Å; E31-C33 PolarHBondContact O-N 3.45Å; C33-T35 VanDerWaalsContact C-N 3.28Å; C33-T35 PolarHBondContact O-N 3.48Å
34V92.9Very high91.2Very high0 Ų062.3 Ų62.30%032%0.322CS..  trans-78.878.1178.5-174.50000109.9L22 I24 W29 H30 E31 L43 L54 F600L22-V34 HydrophobicContact CB-CG2 4.22Å; L22-V34 HydrophobicContact CD1-CB 4.3Å; L22-V34 HydrophobicContact CD1-CG2 3.64Å; I24-V34 HydrophobicContact CD1-CB 4.47Å; I24-V34 HydrophobicContact CD1-CG1 3.72Å; I24-V34 HydrophobicContact CD1-CG2 3.84Å; W29-V34 HydrophobicContact CB-CG2 3.52Å; W29-V34 HydrophobicContact CD2-CG2 4.4Å; W29-V34 HydrophobicContact CG-CG2 3.98Å; H30-V34 PolarHBondContact O-N 3.32Å; E31-V34 PolarHBondContact O-N 3.3Å; V34-L43 HydrophobicContact CG1-CB 3.87Å; V34-L43 HydrophobicContact CG1-CD1 4.42Å; V34-L43 PolarHBondContact O-N 3.45Å; V34-L54 HydrophobicContact CB-CD1 4.34Å; V34-L54 HydrophobicContact CG1-CD1 3.76Å; V34-F600 HydrophobicContact CG1-CE1 4.34Å; V34-F600 HydrophobicContact CG1-CZ 3.81Å
35T94.8Very high91Very high45 Ų4567.3 Ų67.328%0.27635%0.349SS..BIsolated β-bridgetrans-117.9153.8-179.158.80000112.2C33 S37 C41 L42C33-T35 VanDerWaalsContact C-N 3.28Å; C33-T35 PolarHBondContact O-N 3.48Å; T35-S37 PolarHBondContact O-N 3.04Å; T35-C41 CarbonylContact C-O 3.53Å; T35-C41 VanDerWaalsContact CA-O 3.24Å; T35-C41 WeakPolarHBondContact CA-O 3.4Å; T35-L42 HydrophobicContact CG2-CD1 4.17Å
36C95.7Very high91.1Very high0 Ų069.6 Ų69.60%036%0.356CS..  trans-66.9129.8173.3179.40000111.3I38 C39 H40 C41 L43 L54 C56 D59C36-I38 PolarHBondContact O-N 2.93Å; C36-I38 PolarHBondContact SG-N 3.04Å; C36-C39 VanDerWaalsContact SG-SG 3.68Å; C36-H40 WeakPolarHBondContact O-CA 3.41Å; C36-H40 PolarHBondContact O-N 3.36Å; C36-H40 PolarHBondContact O-ND1 2.94Å; C36-C41 PolarHBondContact N-O 3.13Å; C36-L43 HydrophobicContact CB-CD2 4.26Å; C36-L54 CarbonylContact C-O 3.54Å; C36-C56 HydrophobicContact CB-CB 4.06Å; C36-C56 PolarHBondContact SG-N 3.17Å; C36-D59 PolarHBondContact SG-OD2 3.43Å; C36-D59 VanDerWaalsContact SG-OD2 3.41Å
37S94Very high91.4Very high51 Ų5161.1 Ų61.136%0.35732%0.317SS..THydrogen-bonded Turntrans-68.53.8178.4-59.90000115.1T35 L54T35-S37 PolarHBondContact O-N 3.04Å; S37-L54 WeakPolarHBondContact CB-O 3.3Å; S37-L54 PolarHBondContact N-O 3.13Å; S37-L54 PolarHBondContact OG-O 3.09Å; S37-L54 VanDerWaalsContact OG-O 3.12Å
38I94.7Very high91.6Very high67 Ų6758.8 Ų58.834%0.34430%0.304SS..THydrogen-bonded Turntrans-122.8-64.3179.8-67.6175.9000110.6C36 Y55 D59 Q63C36-I38 PolarHBondContact O-N 2.93Å; C36-I38 PolarHBondContact SG-N 3.04Å; I38-Y55 HydrophobicContact CD1-CD1 3.84Å; I38-Y55 HydrophobicContact CD1-CE1 3.67Å; I38-Y55 HydrophobicContact CG1-CD1 4.2Å; I38-Y55 HydrophobicContact CG1-CE1 4.01Å; I38-D59 HydrophobicContact CB-CB 4.08Å; I38-D59 WeakPolarHBondContact CB-OD2 3.39Å; I38-D59 HydrophobicContact CD1-CB 4.09Å; I38-D59 HydrophobicContact CG2-CB 4.17Å; I38-D59 WeakPolarHBondContact CG2-OD2 3.32Å; I38-Q63 HydrophobicContact CD1-CG 3.56Å
39C96.4Very high91.6Very high64 Ų6458.6 Ų58.643%0.43230%0.303SS..THydrogen-bonded Turntrans-88.4-3.3178.462.80000115.2C36 C41 D59C36-C39 VanDerWaalsContact SG-SG 3.68Å; C39-C41 PolarHBondContact O-N 2.62Å; C39-C41 PolarHBondContact SG-SG 2.85Å; C39-D59 WeakPolarHBondContact CB-OD2 3.48Å; C39-D59 PolarHBondContact N-OD2 2.97Å; C39-D59 VanDerWaalsContact N-OD2 3.16Å; C39-D59 PolarHBondContact SG-OD2 2.84Å
40H94.8Very high91.4Very high134 Ų13461.5 Ų61.562%0.6231%0.314SS*.  trans56.814.7-178.8-56-64.5000116C36C36-H40 WeakPolarHBondContact O-CA 3.41Å; C36-H40 PolarHBondContact O-N 3.36Å; C36-H40 PolarHBondContact O-ND1 2.94Å
41C94.7Very high91.1Very high52 Ų5266.8 Ų66.835%0.35134%0.343SS..  trans-67.1145.717374.80000111.6T35 C36 C39T35-C41 CarbonylContact C-O 3.53Å; T35-C41 VanDerWaalsContact CA-O 3.24Å; T35-C41 WeakPolarHBondContact CA-O 3.4Å; C36-C41 PolarHBondContact N-O 3.13Å; C39-C41 PolarHBondContact O-N 2.62Å; C39-C41 PolarHBondContact SG-SG 2.85Å
42L93.8Very high90.9Very high68 Ų6869.2 Ų69.236%0.35635%0.354SS..BIsolated β-bridgetrans-73.5126.2176.7-172.663000110.5E31 T35 H44E31-L42 WeakPolarHBondContact O-CD1 3.28Å; T35-L42 HydrophobicContact CG2-CD1 4.17Å; L42-H44 PolarHBondContact O-ND1 3.4Å
43L92.4Very high90.9Very high12 Ų1267.3 Ų67.36%0.06334%0.344CS..  trans-99.496.3-172.8-54174.8000110V34 C36 C47 L54 C56 F600V34-L43 HydrophobicContact CG1-CB 3.87Å; V34-L43 HydrophobicContact CG1-CD1 4.42Å; V34-L43 PolarHBondContact O-N 3.45Å; C36-L43 HydrophobicContact CB-CD2 4.26Å; L43-C47 HydrophobicContact CB-CB 4.27Å; L43-C47 HydrophobicContact CD1-CB 3.63Å; L43-L54 HydrophobicContact CD1-CB 4.04Å; L43-C56 HydrophobicContact CD2-CB 3.65Å; L43-F600 WeakPolarHBondContact O-CE2 3.45Å
44H80.4Confident90.8Very high133 Ų13366 Ų6662%0.61634%0.335SS*.SBendtrans-86.4-43.3-169.1-60.777.6000114.5L42 F600L42-H44 PolarHBondContact O-ND1 3.4Å; H44-F600 WeakPolarHBondContact O-CD2 3.39Å
45D81.7Confident90.9Very high108 Ų10867 Ų6758%0.57834%0.339SS*.SBendtrans-106.8-41.6-171.2175.952.7000112.3F600D45-F600 VanDerWaalsContact O-CD2 3.26Å; D45-F600 WeakPolarHBondContact O-CD2 3.35Å
46K86.3Confident90.8Very high105 Ų10565.7 Ų65.746%0.45733%0.331SS..BIsolated β-bridgetrans-144.9139.8-177.5-61.4175-167.4171.10110.7Y599K46-Y599 HydrophobicContact CD-CE1 4.29Å
47C90.4Very high90.6Very high3 Ų371 Ų712%0.0235%0.351CS..  trans-123.9163.716868.30000110.1L43 T598 F600L43-C47 HydrophobicContact CB-CB 4.27Å; L43-C47 HydrophobicContact CD1-CB 3.63Å; C47-T598 PolarHBondContact SG-OG1 2.94Å; C47-F600 HydrophobicContact CB-CZ 4.43Å
48L90.8Very high90.5Very high19 Ų1974.1 Ų74.110%0.09936%0.364CS..EExtended strand (participates in β ladder)trans-120.7124.7170.3-67.9166.6000108.2Y55 Y60 Q597L48-Y55 PolarHBondContact N-O 2.94Å; L48-Y55 PolarHBondContact O-N 3.08Å; L48-Y60 HydrophobicContact CB-CD2 3.45Å; L48-Y60 VanDerWaalsContact CB-CD2 3.45Å; L48-Y60 HydrophobicContact CB-CE2 3.88Å; L48-Y60 HydrophobicContact CB-CG 3.89Å; L48-Y60 HydrophobicContact CD1-CD1 3.81Å; L48-Y60 HydrophobicContact CD1-CD2 4Å; L48-Y60 HydrophobicContact CD1-CG 3.51Å; L48-Y60 HydrophobicContact CG-CD2 4.31Å; L48-Y60 HydrophobicContact CG-CG 4.31Å; L48-Q597 HydrophobicContact CD2-CG 4.33Å
49V90.5Very high90.4Very high20 Ų2072 Ų7212%0.12135%0.353CS..EExtended strand (participates in β ladder)trans-98.6134.4-178.8-163.80000110.1I24 D25 K53 L54I24-V49 HydrophobicContact CG2-CG2 3.63Å; D25-V49 WeakPolarHBondContact OD2-CB 3.27Å; D25-V49 WeakPolarHBondContact OD2-CG1 3.29Å; D25-V49 WeakPolarHBondContact OD2-CG2 3.4Å; V49-K53 WeakPolarHBondContact CA-O 3.33Å; V49-L54 HydrophobicContact CG1-CD2 4.42Å; V49-L54 HydrophobicContact CG2-CD2 3.86Å
50R88.3Confident90.2Very high84 Ų8469.2 Ų69.232%0.31733%0.334SS..EExtended strand (participates in β ladder)trans-153.6131.4170-173.2178-174.9101.82.1110E52 K53 Y55 Y60R50-E52 VanDerWaalsContact C-N 3.26Å; R50-E52 PolarHBondContact O-N 3Å; R50-K53 PolarHBondContact N-O 2.91Å; R50-K53 PolarHBondContact O-N 3.4Å; R50-Y55 HydrophobicContact CB-CD2 4.41Å; R50-Y55 HydrophobicContact CB-CE2 4Å; R50-Y60 HydrophobicContact CB-CE2 3.96Å
51N87.4Confident90Very high135 Ų13563.9 Ų63.972%0.72231%0.309SS*.THydrogen-bonded Turntrans48.949.9-177.7-56.49.2000111.3K53N51-K53 PolarHBondContact O-N 3.27Å
52E85.3Confident89.8Confident167 Ų16767.7 Ų67.778%0.7832%0.32SS*.THydrogen-bonded Turntrans61.55.7-179.6-54.7179.4158.800115.8R50R50-E52 VanDerWaalsContact C-N 3.26Å; R50-E52 PolarHBondContact O-N 3Å
53K90.5Very high89.6Confident117 Ų11769.5 Ų69.551%0.50933%0.327SS..EExtended strand (participates in β ladder)trans-104.4144.3178.9-68.9177.9-177-1780112.1V49 R50 N51 Y55V49-K53 WeakPolarHBondContact CA-O 3.33Å; R50-K53 PolarHBondContact N-O 2.91Å; R50-K53 PolarHBondContact O-N 3.4Å; N51-K53 PolarHBondContact O-N 3.27Å; K53-Y55 HydrophobicContact CB-CE2 3.65Å; K53-Y55 WeakPolarHBondContact O-CD2 3.21Å; K53-Y55 WeakPolarHBondContact O-CE2 3.49Å
54L92.2Very high89.5Confident3 Ų372.3 Ų72.32%0.01634%0.338CS..EExtended strand (participates in β ladder)trans-92.7136.5177.6-54.3-178.1000110.8I24 W29 V34 C36 S37 L43 V49I24-L54 HydrophobicContact CD1-CD1 3.89Å; I24-L54 HydrophobicContact CD1-CD2 4.09Å; I24-L54 HydrophobicContact CG2-CD2 4.05Å; W29-L54 HydrophobicContact CD2-CD1 4.14Å; W29-L54 HydrophobicContact CE3-CD1 3.94Å; W29-L54 HydrophobicContact CH2-CD1 3.75Å; W29-L54 HydrophobicContact CH2-CG 3.91Å; W29-L54 HydrophobicContact CZ2-CD1 3.91Å; W29-L54 HydrophobicContact CZ2-CD2 4.19Å; W29-L54 HydrophobicContact CZ2-CG 4.04Å; W29-L54 HydrophobicContact CZ3-CD1 3.74Å; W29-L54 HydrophobicContact CZ3-CG 4.36Å; V34-L54 HydrophobicContact CB-CD1 4.34Å; V34-L54 HydrophobicContact CG1-CD1 3.76Å; C36-L54 CarbonylContact C-O 3.54Å; S37-L54 WeakPolarHBondContact CB-O 3.3Å; S37-L54 PolarHBondContact N-O 3.13Å; S37-L54 PolarHBondContact OG-O 3.09Å; S37-L54 VanDerWaalsContact OG-O 3.12Å; L43-L54 HydrophobicContact CD1-CB 4.04Å; V49-L54 HydrophobicContact CG1-CD2 4.42Å; V49-L54 HydrophobicContact CG2-CD2 3.86Å
55Y93.6Very high89.9Confident20 Ų2066.5 Ų66.58%0.07831%0.314CS..EExtended strand (participates in β ladder)trans-130.6146.8178.9-59-88.4000111.7I38 L48 R50 K53 Y60 F64I38-Y55 HydrophobicContact CD1-CD1 3.84Å; I38-Y55 HydrophobicContact CD1-CE1 3.67Å; I38-Y55 HydrophobicContact CG1-CD1 4.2Å; I38-Y55 HydrophobicContact CG1-CE1 4.01Å; L48-Y55 PolarHBondContact N-O 2.94Å; L48-Y55 PolarHBondContact O-N 3.08Å; R50-Y55 HydrophobicContact CB-CD2 4.41Å; R50-Y55 HydrophobicContact CB-CE2 4Å; K53-Y55 HydrophobicContact CB-CE2 3.65Å; K53-Y55 WeakPolarHBondContact O-CD2 3.21Å; K53-Y55 WeakPolarHBondContact O-CE2 3.49Å; Y55-Y60 HydrophobicContact CD2-CD2 4.1Å; Y55-Y60 HydrophobicContact CG-CD2 4.26Å; Y55-F64 HydrophobicContact CD1-CE2 4.31Å; Y55-F64 HydrophobicContact CD2-CE2 4.32Å; Y55-F64 AromaticContact CE1-CE2 3.91Å; Y55-F64 HydrophobicContact CE1-CE2 3.91Å; Y55-F64 HydrophobicContact CE1-CZ 4.37Å; Y55-F64 AromaticContact CE2-CE2 3.93Å; Y55-F64 HydrophobicContact CE2-CE2 3.93Å; Y55-F64 HydrophobicContact CE2-CZ 4.49Å; Y55-F64 AromaticContact CZ-CE2 3.7Å
56C93.6Very high90.3Very high17 Ų1763.3 Ų63.312%0.11530%0.297CS..  trans-73158.5162.680.40000109.8C36 L43 N58 D59 Y60C36-C56 HydrophobicContact CB-CB 4.06Å; C36-C56 PolarHBondContact SG-N 3.17Å; L43-C56 HydrophobicContact CD2-CB 3.65Å; C56-N58 VanDerWaalsContact C-N 3.26Å; C56-N58 PolarHBondContact O-N 3.21Å; C56-D59 PolarHBondContact O-N 2.7Å; C56-D59 PolarHBondContact SG-N 2.78Å; C56-Y60 WeakPolarHBondContact O-CB 3.39Å; C56-Y60 PolarHBondContact O-N 3.39Å
57R91.2Very high90.6Very high113 Ų11363.9 Ų63.943%0.42630%0.296SS..Hα-helixtrans-52.2-43.4179.6-173.9179.3-177.8-84.413.9112.6I61 D586 I589R57-I61 HydrophobicContact CG-CD1 3.75Å; R57-I61 WeakPolarHBondContact O-CB 3.47Å; R57-I61 WeakPolarHBondContact O-CG1 3.49Å; R57-I61 PolarHBondContact O-N 2.93Å; R57-D586 IonicContact NH2-OD1 2.68Å; R57-I589 VanDerWaalsContact NH2-CD1 3.26Å
58N91.3Very high90.8Very high115 Ų11563.8 Ų63.862%0.61530%0.295SS*.Hα-helixtrans-70-47.4-174.1-64.5-7.3000112.1C56 I61 K62C56-N58 VanDerWaalsContact C-N 3.26Å; C56-N58 PolarHBondContact O-N 3.21Å; N58-I61 PolarHBondContact O-N 3.44Å; N58-K62 VanDerWaalsContact O-CB 3.27Å; N58-K62 WeakPolarHBondContact O-CB 3.43Å; N58-K62 PolarHBondContact O-N 2.69Å
59D93.7Very high90.9Very high22 Ų2267.1 Ų67.112%0.11831%0.309CS..Hα-helixtrans-70.2-37.2179.3-74.4-29.1000112.1C36 I38 C39 C56 K62 Q63C36-D59 PolarHBondContact SG-OD2 3.43Å; C36-D59 VanDerWaalsContact SG-OD2 3.41Å; I38-D59 HydrophobicContact CB-CB 4.08Å; I38-D59 WeakPolarHBondContact CB-OD2 3.39Å; I38-D59 HydrophobicContact CD1-CB 4.09Å; I38-D59 HydrophobicContact CG2-CB 4.17Å; I38-D59 WeakPolarHBondContact CG2-OD2 3.32Å; C39-D59 WeakPolarHBondContact CB-OD2 3.48Å; C39-D59 PolarHBondContact N-OD2 2.97Å; C39-D59 VanDerWaalsContact N-OD2 3.16Å; C39-D59 PolarHBondContact SG-OD2 2.84Å; C56-D59 PolarHBondContact O-N 2.7Å; C56-D59 PolarHBondContact SG-N 2.78Å; D59-K62 PolarHBondContact O-N 3.24Å; D59-Q63 WeakPolarHBondContact O-CB 3.39Å; D59-Q63 WeakPolarHBondContact O-CG 3.35Å; D59-Q63 PolarHBondContact O-N 3.41Å
60Y91.8Very high91.1Very high7 Ų767.9 Ų67.93%0.02732%0.321CS..Hα-helixtrans-59.1-50.3173.6-172.6-79.4000111.2L48 R50 Y55 C56 K62 Q63 F64 Y593 M595L48-Y60 HydrophobicContact CB-CD2 3.45Å; L48-Y60 VanDerWaalsContact CB-CD2 3.45Å; L48-Y60 HydrophobicContact CB-CE2 3.88Å; L48-Y60 HydrophobicContact CB-CG 3.89Å; L48-Y60 HydrophobicContact CD1-CD1 3.81Å; L48-Y60 HydrophobicContact CD1-CD2 4Å; L48-Y60 HydrophobicContact CD1-CG 3.51Å; L48-Y60 HydrophobicContact CG-CD2 4.31Å; L48-Y60 HydrophobicContact CG-CG 4.31Å; R50-Y60 HydrophobicContact CB-CE2 3.96Å; Y55-Y60 HydrophobicContact CD2-CD2 4.1Å; Y55-Y60 HydrophobicContact CG-CD2 4.26Å; C56-Y60 WeakPolarHBondContact O-CB 3.39Å; C56-Y60 PolarHBondContact O-N 3.39Å; Y60-K62 VanDerWaalsContact C-N 3.31Å; Y60-K62 PolarHBondContact O-N 2.95Å; Y60-Q63 PolarHBondContact O-N 2.93Å; Y60-F64 HydrophobicContact CD1-CB 4.43Å; Y60-F64 HydrophobicContact CD1-CD2 4.5Å; Y60-F64 AromaticContact CD2-CD2 3.91Å; Y60-F64 HydrophobicContact CD2-CD2 3.91Å; Y60-F64 HydrophobicContact CD2-CE2 4.5Å; Y60-F64 HydrophobicContact CE1-CB 4.17Å; Y60-F64 HydrophobicContact CE2-CD2 4.12Å; Y60-F64 HydrophobicContact CG-CD2 4.13Å; Y60-F64 WeakPolarHBondContact O-CA 3.1Å; Y60-F64 PolarHBondContact O-N 3.48Å; Y60-Y593 HydrophobicContact CE1-CD1 4.41Å; Y60-M595 PolarHBondContact OH-SD 2.86Å
61I90.5Very high91.5Very high21 Ų2166.2 Ų66.211%0.10832%0.322CS..Hα-helixtrans-65-36.7179.4-71.6173.7000110.6R57 N58 G65 L74 Y593R57-I61 HydrophobicContact CG-CD1 3.75Å; R57-I61 WeakPolarHBondContact O-CB 3.47Å; R57-I61 WeakPolarHBondContact O-CG1 3.49Å; R57-I61 PolarHBondContact O-N 2.93Å; N58-I61 PolarHBondContact O-N 3.44Å; I61-G65 WeakPolarHBondContact O-CA 3.42Å; I61-G65 PolarHBondContact O-N 3.42Å; I61-L74 HydrophobicContact CG2-CD1 3.94Å; I61-L74 HydrophobicContact CG2-CD2 3.45Å; I61-L74 VanDerWaalsContact CG2-CD2 3.45Å; I61-L74 HydrophobicContact CG2-CG 4.2Å; I61-L74 WeakPolarHBondContact O-CD1 3.38Å; I61-Y593 HydrophobicContact CD1-CE2 4.47Å; I61-Y593 HydrophobicContact CG1-CE2 4.33Å
62K89.9Confident91.8Very high132 Ų13264.9 Ų64.957%0.57431%0.314SS*.Hα-helixtrans-65.3-41.1177-175.9176.3177.2-176.60112.9N58 D59 Y60 R67N58-K62 VanDerWaalsContact O-CB 3.27Å; N58-K62 WeakPolarHBondContact O-CB 3.43Å; N58-K62 PolarHBondContact O-N 2.69Å; D59-K62 PolarHBondContact O-N 3.24Å; Y60-K62 VanDerWaalsContact C-N 3.31Å; Y60-K62 PolarHBondContact O-N 2.95Å; K62-R67 PolarHBondContact O-NH2 3.2Å
63Q89.5Confident92.3Very high107 Ų10762.9 Ų62.950%0.531%0.305SS..Hα-helixtrans-84.6-49.2-177.8-65.7-64.7-9.400113.3I38 D59 Y60I38-Q63 HydrophobicContact CD1-CG 3.56Å; D59-Q63 WeakPolarHBondContact O-CB 3.39Å; D59-Q63 WeakPolarHBondContact O-CG 3.35Å; D59-Q63 PolarHBondContact O-N 3.41Å; Y60-Q63 PolarHBondContact O-N 2.93Å
64F91.5Very high92.4Very high71 Ų7158.9 Ų58.931%0.31129%0.289SS..Hα-helixtrans-111.87.2-169.7-47.6-63.4000113.3Y55 Y60Y55-F64 HydrophobicContact CD1-CE2 4.31Å; Y55-F64 HydrophobicContact CD2-CE2 4.32Å; Y55-F64 AromaticContact CE1-CE2 3.91Å; Y55-F64 HydrophobicContact CE1-CE2 3.91Å; Y55-F64 HydrophobicContact CE1-CZ 4.37Å; Y55-F64 AromaticContact CE2-CE2 3.93Å; Y55-F64 HydrophobicContact CE2-CE2 3.93Å; Y55-F64 HydrophobicContact CE2-CZ 4.49Å; Y55-F64 AromaticContact CZ-CE2 3.7Å; Y60-F64 HydrophobicContact CD1-CB 4.43Å; Y60-F64 HydrophobicContact CD1-CD2 4.5Å; Y60-F64 AromaticContact CD2-CD2 3.91Å; Y60-F64 HydrophobicContact CD2-CD2 3.91Å; Y60-F64 HydrophobicContact CD2-CE2 4.5Å; Y60-F64 HydrophobicContact CE1-CB 4.17Å; Y60-F64 HydrophobicContact CE2-CD2 4.12Å; Y60-F64 HydrophobicContact CG-CD2 4.13Å; Y60-F64 WeakPolarHBondContact O-CA 3.1Å; Y60-F64 PolarHBondContact O-N 3.48Å
65G87.9Confident92.3Very high10 Ų1059.1 Ų59.110%0.10329%0.291CS..  trans-61.9147.8179.100000113.6I61 R67I61-G65 WeakPolarHBondContact O-CA 3.42Å; I61-G65 PolarHBondContact O-N 3.42Å; G65-R67 PolarHBondContact O-N 3.33Å
66I89.5Confident91.9Very high42 Ų4262.1 Ų62.122%0.21531%0.305CS..  trans-69.5125.7176.7-54.8176.9000108.2I75 Y153 Y593I66-I75 HydrophobicContact CG2-CD1 4.08Å; I66-I75 WeakPolarHBondContact O-CB 3.42Å; I66-I75 PolarHBondContact O-N 2.76Å; I66-Y153 HydrophobicContact CD1-CE2 4.4Å; I66-Y153 HydrophobicContact CG2-CD1 4.47Å; I66-Y153 HydrophobicContact CG2-CD2 3.51Å; I66-Y153 HydrophobicContact CG2-CE2 4.09Å; I66-Y153 HydrophobicContact CG2-CG 3.74Å; I66-Y593 HydrophobicContact CG1-CE1 4.21Å; I66-Y593 PolarHBondContact N-OH 3.02Å
67R93.6Very high91.5Very high117 Ų11763.3 Ų63.344%0.44231%0.313SS..BIsolated β-bridgetrans-106.9142.9179.7-67.9171.2-178.2-83.2-4.2110.9K62 G65 K69 N72 Q73K62-R67 PolarHBondContact O-NH2 3.2Å; G65-R67 PolarHBondContact O-N 3.33Å; R67-K69 PolarHBondContact O-N 3.1Å; R67-N72 PolarHBondContact NH1-O 3.22Å; R67-Q73 CarbonylContact C-O 3.49Å; R67-Q73 WeakPolarHBondContact CA-O 3.36Å
68C95.1Very high91.1Very high0 Ų064 Ų640%032%0.321CS..  trans-65.4125.1172.8168.80000109.8G70 C71 N72 Q73 I75 Y153 H155 C158C68-G70 PolarHBondContact O-N 3.47Å; C68-G70 PolarHBondContact SG-N 3.34Å; C68-G70 VanDerWaalsContact SG-N 3.44Å; C68-C71 VanDerWaalsContact CB-SG 3.56Å; C68-N72 WeakPolarHBondContact O-CA 3.4Å; C68-N72 PolarHBondContact O-N 3.23Å; C68-Q73 PolarHBondContact N-O 2.97Å; C68-I75 HydrophobicContact CB-CD1 4.32Å; C68-I75 HydrophobicContact CB-CG1 4.16Å; C68-Y153 CarbonylContact C-O 3.58Å; C68-Y153 WeakPolarHBondContact CA-O 3.31Å; C68-H155 WeakPolarHBondContact CB-ND1 3.33Å; C68-H155 PolarHBondContact SG-N 3.4Å; C68-H155 PolarHBondContact SG-ND1 2.94Å; C68-H155 VanDerWaalsContact SG-ND1 3.38Å; C68-C158 WeakPolarHBondContact SG-CB 3.32Å
69K92.8Very high90.9Very high89 Ų8961 Ų6139%0.38731%0.306SS..THydrogen-bonded Turntrans-67.3-19.4-178-176.858.7178.3174.50113.4R67 H152 Y153 F154 M180R67-K69 PolarHBondContact O-N 3.1Å; K69-H152 HydrophobicContact CB-CB 4.36Å; K69-H152 HydrophobicContact CG-CB 4.42Å; K69-Y153 PolarHBondContact N-O 3.29Å; K69-F154 HydrophobicContact CB-CD1 4.28Å; K69-F154 HydrophobicContact CB-CD2 4.49Å; K69-F154 HydrophobicContact CB-CE1 3.78Å; K69-F154 HydrophobicContact CB-CE2 4.01Å; K69-F154 HydrophobicContact CB-CZ 3.63Å; K69-F154 HydrophobicContact CG-CE1 4.11Å; K69-F154 HydrophobicContact CG-CE2 4.39Å; K69-F154 HydrophobicContact CG-CZ 3.74Å; K69-M180 HydrophobicContact CG-SD 3.88Å
70G93.8Very high90.6Very high37 Ų3764.1 Ų64.138%0.38133%0.329SS..THydrogen-bonded Turntrans-84.4-41.6177.100000114.9C68C68-G70 PolarHBondContact O-N 3.47Å; C68-G70 PolarHBondContact SG-N 3.34Å; C68-G70 VanDerWaalsContact SG-N 3.44Å
71C95.9Very high90.4Very high48 Ų4864.9 Ų64.932%0.32434%0.335SS..THydrogen-bonded Turntrans-117.1-2.6-175.568.80000114.9C68 Q73 H155C68-C71 VanDerWaalsContact CB-SG 3.56Å; C71-Q73 HydrophobicContact CB-CG 4.4Å; C71-Q73 PolarHBondContact O-N 2.83Å; C71-H155 PolarHBondContact SG-ND1 3.15Å; C71-H155 VanDerWaalsContact SG-ND1 3.4Å
72N95.3Very high90.2Very high107 Ų10764.2 Ų64.257%0.57233%0.331SS*.  trans57.35.9-174.6-63.7-40.1000116.3R67 C68R67-N72 PolarHBondContact NH1-O 3.22Å; C68-N72 WeakPolarHBondContact O-CA 3.4Å; C68-N72 PolarHBondContact O-N 3.23Å
73Q95Very high90Very high125 Ų12561.6 Ų61.658%0.58432%0.317SS*.PPolyproline II helixtrans-72.7149.4173.6-59.4-58.3-19.500111.4R67 C68 C71R67-Q73 CarbonylContact C-O 3.49Å; R67-Q73 WeakPolarHBondContact CA-O 3.36Å; C68-Q73 PolarHBondContact N-O 2.97Å; C71-Q73 HydrophobicContact CB-CG 4.4Å; C71-Q73 PolarHBondContact O-N 2.83Å
74L91.8Very high89.7Confident33 Ų3356.5 Ų56.517%0.17329%0.294CS..BIsolated β-bridgetrans-67.2127.5176.7174.470.4000110.4I61 Q76I61-L74 HydrophobicContact CG2-CD1 3.94Å; I61-L74 HydrophobicContact CG2-CD2 3.45Å; I61-L74 VanDerWaalsContact CG2-CD2 3.45Å; I61-L74 HydrophobicContact CG2-CG 4.2Å; I61-L74 WeakPolarHBondContact O-CD1 3.38Å; L74-Q76 VanDerWaalsContact CD2-NE2 3.27Å; L74-Q76 VanDerWaalsContact CG-NE2 3.28Å; L74-Q76 PolarHBondContact O-N 2.87Å; L74-Q76 PolarHBondContact O-NE2 2.91Å
75I90.3Very high89.3Confident9 Ų957.7 Ų57.75%0.04630%0.297CS..PPolyproline II helixtrans-75.1119.7176.5-64.9178000109.3I66 C68 D79 V81 Y153I66-I75 HydrophobicContact CG2-CD1 4.08Å; I66-I75 WeakPolarHBondContact O-CB 3.42Å; I66-I75 PolarHBondContact O-N 2.76Å; C68-I75 HydrophobicContact CB-CD1 4.32Å; C68-I75 HydrophobicContact CB-CG1 4.16Å; I75-D79 WeakPolarHBondContact CA-OD2 3.38Å; I75-D79 HydrophobicContact CG2-CB 4.12Å; I75-V81 HydrophobicContact CD1-CG1 4.03Å; I75-V81 HydrophobicContact CG1-CG1 4.46Å; I75-V81 HydrophobicContact CG2-CG1 3.59Å; I75-Y153 VanDerWaalsContact CD1-CB 3.41Å; I75-Y153 HydrophobicContact CD1-CG 4.34Å
76Q86.4Confident88.8Confident83 Ų8357.3 Ų57.339%0.38829%0.293SS..PPolyproline II helixtrans-83.9173.8174.6-54.4-48-57.100111.6L74 E78 D79L74-Q76 VanDerWaalsContact CD2-NE2 3.27Å; L74-Q76 VanDerWaalsContact CG-NE2 3.28Å; L74-Q76 PolarHBondContact O-N 2.87Å; L74-Q76 PolarHBondContact O-NE2 2.91Å; Q76-E78 VanDerWaalsContact C-N 3.31Å; Q76-E78 WeakPolarHBondContact CB-OE2 3.43Å; Q76-D79 PolarHBondContact N-OD2 3.48Å
77S84Confident88.2Confident41 Ų4157.5 Ų57.529%0.28729%0.291SS..SBendtrans-74.4-22.3179.430.60000114.2I589S77-I589 VanDerWaalsContact OG-CD1 3.28Å; S77-I589 WeakPolarHBondContact OG-CD1 3.36Å
78E84.5Confident87Confident127 Ų12757.5 Ų57.559%0.59329%0.294SS*.SBendtrans-89.6-14.8179.8-56.664.6-132.500111.5Q76 S80Q76-E78 VanDerWaalsContact C-N 3.31Å; Q76-E78 WeakPolarHBondContact CB-OE2 3.43Å; E78-S80 PolarHBondContact O-N 3.46Å
79D86.8Confident85.2Confident53 Ų5358.5 Ų58.528%0.28330%0.301SS..  trans-68.8126.5-176.3-74.2-20.7000111.7I75 Q76 V81 H155I75-D79 WeakPolarHBondContact CA-OD2 3.38Å; I75-D79 HydrophobicContact CG2-CB 4.12Å; Q76-D79 PolarHBondContact N-OD2 3.48Å; D79-V81 HydrophobicContact CB-CG1 4.22Å; D79-H155 VanDerWaalsContact CG-NE2 3.35Å; D79-H155 IonicContact OD1-CD2 3.89Å; D79-H155 IonicContact OD1-NE2 3.9Å; D79-H155 IonicContact OD2-CD2 2.86Å; D79-H155 PolarHBondContact OD2-CD2 2.84Å; D79-H155 IonicContact OD2-CE1 3.4Å; D79-H155 IonicContact OD2-NE2 3.24Å; D79-H155 PolarHBondContact OD2-NE2 3.01Å
80S87.2Confident83.7Confident87 Ų8758.8 Ų58.861%0.60831%0.31SS*.  trans-74.7126.5163.9-690000109.8E78 V156E78-S80 PolarHBondContact O-N 3.46Å; S80-V156 PolarHBondContact O-N 2.86Å; S80-V156 VanDerWaalsContact O-N 3.17Å
81V87.5Confident81.9Confident24 Ų2461.7 Ų61.715%0.14531%0.312CS..EExtended strand (participates in β ladder)trans-126.3147.9-173.3-62.50000113.5I75 D79 F154I75-V81 HydrophobicContact CD1-CG1 4.03Å; I75-V81 HydrophobicContact CG1-CG1 4.46Å; I75-V81 HydrophobicContact CG2-CG1 3.59Å; D79-V81 HydrophobicContact CB-CG1 4.22Å; V81-F154 CarbonylContact C-O 3.53Å; V81-F154 WeakPolarHBondContact CA-O 3.27Å; V81-F154 WeakPolarHBondContact CB-O 3.48Å
82L86.3Confident79.6Confident6 Ų664.9 Ų64.93%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-107.9149.9168.4-66.8171.9000109.7V113 T114 Y153 F154 V156 F159L82-V113 HydrophobicContact CD1-CG1 4.13Å; L82-V113 HydrophobicContact CD2-CG1 4.37Å; L82-T114 VanDerWaalsContact CD2-O 3.31Å; L82-T114 WeakPolarHBondContact CD2-O 3.34Å; L82-Y153 WeakPolarHBondContact O-CA 3.45Å; L82-F154 PolarHBondContact N-O 2.96Å; L82-F154 PolarHBondContact O-N 3.47Å; L82-V156 HydrophobicContact CG-CG2 4.27Å; L82-F159 HydrophobicContact CB-CD2 4.12Å; L82-F159 HydrophobicContact CB-CG 4.27Å; L82-F159 HydrophobicContact CD1-CB 3.5Å; L82-F159 HydrophobicContact CD1-CD1 3.81Å; L82-F159 HydrophobicContact CD1-CD2 4.29Å; L82-F159 HydrophobicContact CD1-CG 3.59Å
83R85Confident77.4Confident77 Ų7763.1 Ų63.129%0.29133%0.328SS..EExtended strand (participates in β ladder)trans-120127.6-179.6-61.9179.2-168.3158.22.5109.4Y85 I151 H152 Y153R83-Y85 HydrophobicContact CB-CE2 3.9Å; R83-I151 HydrophobicContact CB-CG2 4.1Å; R83-I151 HydrophobicContact CG-CG2 4.29Å; R83-H152 WeakPolarHBondContact CA-O 3.34Å; R83-Y153 HydrophobicContact CG-CD1 3.98Å; R83-Y153 HydrophobicContact CG-CE1 3.9Å
84L82.8Confident75.4Confident0 Ų061.8 Ų61.80%033%0.333CS..EExtended strand (participates in β ladder)trans-115.7123.9175-179.5155.3000107.7T86 H152 F154 F159 Y174 I176 P181L84-T86 HydrophobicContact CD2-CG2 3.64Å; L84-H152 HydrophobicContact CB-CB 4.46Å; L84-H152 HydrophobicContact CD2-CB 4.41Å; L84-H152 PolarHBondContact N-O 3.4Å; L84-H152 PolarHBondContact O-N 3.27Å; L84-F154 HydrophobicContact CB-CD2 4.39Å; L84-F154 HydrophobicContact CB-CE2 3.92Å; L84-F154 HydrophobicContact CD1-CE2 4.26Å; L84-F159 HydrophobicContact CB-CE2 4.13Å; L84-F159 HydrophobicContact CD1-CE2 3.85Å; L84-F159 HydrophobicContact CD1-CZ 4.14Å; L84-Y174 HydrophobicContact CD1-CE2 4.11Å; L84-I176 HydrophobicContact CD1-CD1 4.45Å; L84-I176 HydrophobicContact CD1-CG1 4.17Å; L84-I176 HydrophobicContact CD2-CD1 3.87Å; L84-I176 HydrophobicContact CD2-CG1 4.27Å; L84-I176 HydrophobicContact CD2-CG2 4.05Å; L84-I176 HydrophobicContact CG-CD1 3.94Å; L84-I176 HydrophobicContact CG-CG1 4.21Å; L84-P181 HydrophobicContact CD1-CB 3.89Å; L84-P181 HydrophobicContact CD1-CG 4.26Å
85Y82.8Confident73.6Confident96 Ų9666.6 Ų66.638%0.37636%0.357SS..EExtended strand (participates in β ladder)trans-95.1138.7-178-64.3-97000108.9R83 V149 L150 I151 I176R83-Y85 HydrophobicContact CB-CE2 3.9Å; Y85-V149 HydrophobicContact CD1-CG1 3.9Å; Y85-L150 WeakPolarHBondContact CA-O 3.43Å; Y85-I151 HydrophobicContact CD1-CD1 4.25Å; Y85-I151 HydrophobicContact CD1-CG1 3.79Å; Y85-I151 HydrophobicContact CE1-CD1 3.6Å; Y85-I151 HydrophobicContact CE1-CG1 3.64Å; Y85-I151 HydrophobicContact CE1-CG2 4.26Å; Y85-I176 WeakPolarHBondContact O-CD1 3.46Å
86T78.2Confident71.8Confident3 Ų367 Ų672%0.01836%0.359CS..EExtended strand (participates in β ladder)trans-133.9161.4172.456.30000110.2L84 V149 L150 H152 I176 C179L84-T86 HydrophobicContact CD2-CG2 3.64Å; T86-V149 CarbonylContact O-C 3.6Å; T86-V149 WeakPolarHBondContact O-CA 3.33Å; T86-L150 PolarHBondContact N-O 2.68Å; T86-L150 PolarHBondContact O-N 3.31Å; T86-L150 WeakPolarHBondContact OG1-CB 3.3Å; T86-H152 PolarHBondContact OG1-NE2 3.31Å; T86-I176 HydrophobicContact CG2-CD1 4.48Å; T86-I176 HydrophobicContact CG2-CG2 4Å; T86-C179 HydrophobicContact CG2-CB 4.23Å
87Y76.2Confident70.2Confident45 Ų4567.3 Ų67.318%0.17636%0.363CS..EExtended strand (participates in β ladder)trans-113.5140.3177-54.5-88.4000111.2I100 E107 S148 V149Y87-I100 WeakPolarHBondContact O-CG2 3.34Å; Y87-E107 WeakPolarHBondContact CE2-OE2 3.45Å; Y87-E107 PolarHBondContact OH-OE1 3.4Å; Y87-S148 WeakPolarHBondContact CA-O 3.14Å; Y87-V149 HydrophobicContact CD1-CG2 3.93Å; Y87-V149 HydrophobicContact CE1-CG1 4.4Å; Y87-V149 HydrophobicContact CE1-CG2 3.72Å
88K69.4Low68.8Low117 Ų11769.3 Ų69.351%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-126.8139.7163.8-70.9-170.5-173.6173.10109.8S148 L150K88-S148 PolarHBondContact N-O 3.4Å; K88-S148 PolarHBondContact O-N 3.38Å; K88-S148 PolarHBondContact O-OG 3.22Å; K88-L150 HydrophobicContact CD-CD1 3.61Å; K88-L150 HydrophobicContact CG-CD1 3.83Å
89S57.5Low67.5Low21 Ų2165.8 Ų65.815%0.14735%0.354CS..EExtended strand (participates in β ladder)trans-69.6140.9169.6179.60000109.9K91 I100S89-K91 WeakPolarHBondContact CB-O 3.49Å; S89-K91 PolarHBondContact OG-N 3.22Å; S89-K91 PolarHBondContact OG-O 3.18Å; S89-I100 VanDerWaalsContact CB-CD1 3.43Å; S89-I100 VanDerWaalsContact N-CD1 3.26Å
90V60.1Low66.2Low95 Ų9564.3 Ų64.358%0.57635%0.345SS*.SBendtrans-80.2-8.7175.51770000111.9N146V90-N146 HydrophobicContact CB-CB 4.05Å; V90-N146 WeakPolarHBondContact CB-O 3.42Å; V90-N146 HydrophobicContact CG2-CB 4.17Å; V90-N146 VanDerWaalsContact CG2-O 3.25Å; V90-N146 WeakPolarHBondContact CG2-O 3.31Å; V90-N146 PolarHBondContact N-O 3.02Å
91K57.5Low64.8Low99 Ų9965.6 Ų65.643%0.4334%0.342SS..SBendtrans-120.9149.5168.8-65.5-177.6174.6-1710109.2S89 Q96 D143S89-K91 WeakPolarHBondContact CB-O 3.49Å; S89-K91 PolarHBondContact OG-N 3.22Å; S89-K91 PolarHBondContact OG-O 3.18Å; K91-Q96 VanDerWaalsContact CB-OE1 3.23Å; K91-Q96 PolarHBondContact O-OE1 3.03Å; K91-D143 IonicContact NZ-OD1 3.54Å; K91-D143 PolarHBondContact NZ-OD1 3.39Å; K91-D143 IonicContact NZ-OD2 2.61Å; K91-D143 PolarHBondContact NZ-OD2 3.08Å
92S47.6Very low63.4Low115 Ų11570.3 Ų70.380%0.80436%0.36SS*.  trans-117.180.3-175.6-56.20000111.6
93T49Very low62.2Low70 Ų7071.1 Ų71.143%0.42936%0.364SS..  trans-109.4154.3163.573.70000110.1I95 Q96 N97T93-I95 PolarHBondContact O-N 2.78Å; T93-Q96 WeakPolarHBondContact O-CA 3.38Å; T93-Q96 WeakPolarHBondContact O-CB 3.44Å; T93-Q96 PolarHBondContact O-N 3.28Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.49Å; T93-Q96 PolarHBondContact OG1-OE1 3.42Å; T93-N97 PolarHBondContact O-N 3.29Å
94S52.6Low60.6Low96 Ų9669.1 Ų69.167%0.67136%0.359SS*.Hα-helixtrans-55.8-38.3-177.9-161.40000112.6Q96 N97 D98S94-Q96 VanDerWaalsContact C-N 3.28Å; S94-Q96 PolarHBondContact O-N 3.04Å; S94-N97 PolarHBondContact O-N 3.36Å; S94-D98 PolarHBondContact O-N 2.76Å
95I54.3Low59.1Low135 Ų13572 Ų7269%0.69237%0.374SS*.Hα-helixtrans-64.7-32177.6-56.6170.6000111.6T93 F99T93-I95 PolarHBondContact O-N 2.78Å; I95-F99 PolarHBondContact O-N 3.33Å
96Q52.9Low57.2Low18 Ų1872.3 Ų72.38%0.08438%0.382CS..Hα-helixtrans-72-33177.7-72.7159.8-10.500111.5K91 T93 S94 F99 I100 F145K91-Q96 VanDerWaalsContact CB-OE1 3.23Å; K91-Q96 PolarHBondContact O-OE1 3.03Å; T93-Q96 WeakPolarHBondContact O-CA 3.38Å; T93-Q96 WeakPolarHBondContact O-CB 3.44Å; T93-Q96 PolarHBondContact O-N 3.28Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.49Å; T93-Q96 PolarHBondContact OG1-OE1 3.42Å; S94-Q96 VanDerWaalsContact C-N 3.28Å; S94-Q96 PolarHBondContact O-N 3.04Å; Q96-F99 PolarHBondContact O-N 2.99Å; Q96-I100 WeakPolarHBondContact O-CD1 3.45Å; Q96-I100 WeakPolarHBondContact O-CG1 3.32Å; Q96-I100 PolarHBondContact O-N 2.89Å; Q96-F145 HydrophobicContact CG-CE1 4.44Å
97N52Low55.7Low89 Ų8975.4 Ų75.448%0.47640%0.396SS..Hα-helixtrans-62.7-47.9174-70.8-21.7000111.5T93 S94 F99 I100 E101T93-N97 PolarHBondContact O-N 3.29Å; S94-N97 PolarHBondContact O-N 3.36Å; N97-F99 PolarHBondContact O-N 2.78Å; N97-I100 PolarHBondContact O-N 2.91Å; N97-I100 VanDerWaalsContact O-N 3.17Å; N97-E101 WeakPolarHBondContact O-CB 3.27Å; N97-E101 PolarHBondContact O-N 2.97Å
98D54.7Low54.3Low83 Ų8374.7 Ų74.744%0.44439%0.394SS..Hα-helixtrans-57.1-35.1175-68.47.3000112.5S94 K102S94-D98 PolarHBondContact O-N 2.76Å; D98-K102 VanDerWaalsContact O-CB 3.24Å; D98-K102 WeakPolarHBondContact O-CB 3.41Å; D98-K102 WeakPolarHBondContact O-CD 3.45Å; D98-K102 WeakPolarHBondContact O-CG 3.46Å; D98-K102 PolarHBondContact O-N 2.83Å
99F57.7Low52.6Low53 Ų5373.8 Ų73.823%0.23239%0.391CS..Hα-helixtrans-74.5-41.2177.4-173.6-99.7000112.6I95 Q96 N97 E101 K102 Q103 L147I95-F99 PolarHBondContact O-N 3.33Å; Q96-F99 PolarHBondContact O-N 2.99Å; N97-F99 PolarHBondContact O-N 2.78Å; F99-E101 VanDerWaalsContact C-N 3.34Å; F99-K102 CarbonylContact O-C 3.39Å; F99-K102 PolarHBondContact O-N 3.07Å; F99-Q103 HydrophobicContact CD1-CG 4.14Å; F99-Q103 HydrophobicContact CE1-CG 3.78Å; F99-Q103 HydrophobicContact CZ-CG 4.05Å; F99-Q103 WeakPolarHBondContact O-CG 3.48Å; F99-Q103 PolarHBondContact O-N 3.36Å; F99-L147 HydrophobicContact CE1-CD1 4.03Å
100I58.2Low52Low22 Ų2277.1 Ų77.111%0.11341%0.414CS..Hα-helixtrans-60.5-47.4172.5-61.5157.1000109.7Y87 S89 Q96 N97 K102 Q103 N104 L147Y87-I100 WeakPolarHBondContact O-CG2 3.34Å; S89-I100 VanDerWaalsContact CB-CD1 3.43Å; S89-I100 VanDerWaalsContact N-CD1 3.26Å; Q96-I100 WeakPolarHBondContact O-CD1 3.45Å; Q96-I100 WeakPolarHBondContact O-CG1 3.32Å; Q96-I100 PolarHBondContact O-N 2.89Å; N97-I100 PolarHBondContact O-N 2.91Å; N97-I100 VanDerWaalsContact O-N 3.17Å; I100-K102 VanDerWaalsContact C-N 3.3Å; I100-K102 PolarHBondContact O-N 3.41Å; I100-Q103 PolarHBondContact O-N 3.49Å; I100-Q103 VanDerWaalsContact O-N 3.16Å; I100-N104 WeakPolarHBondContact CG2-ND2 3.32Å; I100-N104 WeakPolarHBondContact O-CB 3.29Å; I100-N104 PolarHBondContact O-N 3.41Å; I100-N104 PolarHBondContact O-ND2 3.24Å; I100-L147 HydrophobicContact CG1-CD2 4.11Å
101E58Low51.8Low113 Ų11373.4 Ų73.453%0.52839%0.392SS..Hα-helixtrans-60.1-44.6177.4-157.1-178164.600109.3N97 F99 Q103 N104 I105N97-E101 WeakPolarHBondContact O-CB 3.27Å; N97-E101 PolarHBondContact O-N 2.97Å; F99-E101 VanDerWaalsContact C-N 3.34Å; E101-Q103 PolarHBondContact O-N 3.46Å; E101-N104 CarbonylContact O-C 3.59Å; E101-N104 PolarHBondContact O-N 3.45Å; E101-I105 HydrophobicContact CG-CD1 3.85Å; E101-I105 HydrophobicContact CG-CG1 4.5Å; E101-I105 WeakPolarHBondContact O-CB 3.44Å; E101-I105 WeakPolarHBondContact O-CD1 2.83Å; E101-I105 WeakPolarHBondContact O-CG1 3.49Å; E101-I105 PolarHBondContact O-N 3.06Å
102K59.4Low51.4Low124 Ų12471.8 Ų71.854%0.53939%0.391SS..Hα-helixtrans-61-35.7172.9-78.8167.2-175.1165.10114.7D98 F99 I100 I105 L106D98-K102 VanDerWaalsContact O-CB 3.24Å; D98-K102 WeakPolarHBondContact O-CB 3.41Å; D98-K102 WeakPolarHBondContact O-CD 3.45Å; D98-K102 WeakPolarHBondContact O-CG 3.46Å; D98-K102 PolarHBondContact O-N 2.83Å; F99-K102 CarbonylContact O-C 3.39Å; F99-K102 PolarHBondContact O-N 3.07Å; I100-K102 VanDerWaalsContact C-N 3.3Å; I100-K102 PolarHBondContact O-N 3.41Å; K102-I105 CarbonylContact O-C 3.55Å; K102-I105 PolarHBondContact O-N 2.97Å; K102-L106 WeakPolarHBondContact O-CB 3.4Å; K102-L106 VanDerWaalsContact O-CG 3.26Å; K102-L106 WeakPolarHBondContact O-CG 3.42Å; K102-L106 PolarHBondContact O-N 2.91Å
103Q59.3Low51.5Low22 Ų2266.6 Ų66.610%0.10335%0.354CS..Hα-helixtrans-72.5-44.1175.6-71.1-61.6-24.900111.6F99 I100 E101 I105 L106 E107 L147F99-Q103 HydrophobicContact CD1-CG 4.14Å; F99-Q103 HydrophobicContact CE1-CG 3.78Å; F99-Q103 HydrophobicContact CZ-CG 4.05Å; F99-Q103 WeakPolarHBondContact O-CG 3.48Å; F99-Q103 PolarHBondContact O-N 3.36Å; I100-Q103 PolarHBondContact O-N 3.49Å; I100-Q103 VanDerWaalsContact O-N 3.16Å; E101-Q103 PolarHBondContact O-N 3.46Å; Q103-I105 PolarHBondContact O-N 3.04Å; Q103-L106 PolarHBondContact O-N 2.95Å; Q103-E107 PolarHBondContact O-N 3.28Å; Q103-E107 VanDerWaalsContact O-N 3.11Å; Q103-L147 HydrophobicContact CG-CD1 4.44Å
104N52.5Low51.4Low36 Ų3668.1 Ų68.119%0.19336%0.364CS..Hα-helixtrans-60.4-32.8170-66.3-34000110.9I100 E101 F108I100-N104 WeakPolarHBondContact CG2-ND2 3.32Å; I100-N104 WeakPolarHBondContact O-CB 3.29Å; I100-N104 PolarHBondContact O-N 3.41Å; I100-N104 PolarHBondContact O-ND2 3.24Å; E101-N104 CarbonylContact O-C 3.59Å; E101-N104 PolarHBondContact O-N 3.45Å; N104-F108 VanDerWaalsContact O-CB 3.31Å; N104-F108 WeakPolarHBondContact O-CB 3.12Å; N104-F108 PolarHBondContact O-N 3.26Å
105I51.5Low50.8Low61 Ų6165.9 Ų65.931%0.31335%0.348SS..Hα-helixtrans-73.7-22.3172.9-71.9165000112.9E101 K102 Q103 F108E101-I105 HydrophobicContact CG-CD1 3.85Å; E101-I105 HydrophobicContact CG-CG1 4.5Å; E101-I105 WeakPolarHBondContact O-CB 3.44Å; E101-I105 WeakPolarHBondContact O-CD1 2.83Å; E101-I105 WeakPolarHBondContact O-CG1 3.49Å; E101-I105 PolarHBondContact O-N 3.06Å; K102-I105 CarbonylContact O-C 3.55Å; K102-I105 PolarHBondContact O-N 2.97Å; Q103-I105 PolarHBondContact O-N 3.04Å; I105-F108 VanDerWaalsContact CA-CB 3.41Å; I105-F108 HydrophobicContact CB-CD1 4.39Å; I105-F108 HydrophobicContact CB-CG 4.48Å; I105-F108 HydrophobicContact CG1-CD1 4.21Å; I105-F108 HydrophobicContact CG1-CD2 4.45Å; I105-F108 HydrophobicContact CG1-CE1 4.19Å; I105-F108 HydrophobicContact CG1-CG 4.4Å; I105-F108 HydrophobicContact CG1-CZ 4.42Å; I105-F108 HydrophobicContact CG2-CD1 4.23Å; I105-F108 WeakPolarHBondContact O-CB 3.2Å
106L41.9Very low50Low102 Ų10263.6 Ų63.653%0.53434%0.34SS..Hα-helixtrans-83.1-36.3175.4-78.8162.7000111.6K102 Q103 F108K102-L106 WeakPolarHBondContact O-CB 3.4Å; K102-L106 VanDerWaalsContact O-CG 3.26Å; K102-L106 WeakPolarHBondContact O-CG 3.42Å; K102-L106 PolarHBondContact O-N 2.91Å; Q103-L106 PolarHBondContact O-N 2.95Å; L106-F108 VanDerWaalsContact C-N 3.34Å
107E47.6Very low49.2Very low68 Ų6868.8 Ų68.832%0.31837%0.369SS..Hα-helixtrans-75.6-22.6168.9-70.7-162.9154.900113.5Y87 Q103 Q109 S110 S111Y87-E107 WeakPolarHBondContact CE2-OE2 3.45Å; Y87-E107 PolarHBondContact OH-OE1 3.4Å; Q103-E107 PolarHBondContact O-N 3.28Å; Q103-E107 VanDerWaalsContact O-N 3.11Å; E107-Q109 PolarHBondContact O-N 2.85Å; E107-S110 PolarHBondContact O-N 3.4Å; E107-S111 PolarHBondContact O-N 2.92Å; E107-S111 PolarHBondContact O-OG 3.46Å
108F46.1Very low48.2Very low30 Ų3070 Ų7013%0.13239%0.391CS..THydrogen-bonded Turntrans-48.3-26.2171.1-142.1-131.3000114.3N104 I105 L106 T175 Y187N104-F108 VanDerWaalsContact O-CB 3.31Å; N104-F108 WeakPolarHBondContact O-CB 3.12Å; N104-F108 PolarHBondContact O-N 3.26Å; I105-F108 VanDerWaalsContact CA-CB 3.41Å; I105-F108 HydrophobicContact CB-CD1 4.39Å; I105-F108 HydrophobicContact CB-CG 4.48Å; I105-F108 HydrophobicContact CG1-CD1 4.21Å; I105-F108 HydrophobicContact CG1-CD2 4.45Å; I105-F108 HydrophobicContact CG1-CE1 4.19Å; I105-F108 HydrophobicContact CG1-CG 4.4Å; I105-F108 HydrophobicContact CG1-CZ 4.42Å; I105-F108 HydrophobicContact CG2-CD1 4.23Å; I105-F108 WeakPolarHBondContact O-CB 3.2Å; L106-F108 VanDerWaalsContact C-N 3.34Å; F108-T175 WeakPolarHBondContact CA-OG1 3.31Å; F108-T175 WeakPolarHBondContact CB-OG1 3.45Å; F108-T175 HydrophobicContact CD2-CG2 4.4Å; F108-T175 WeakPolarHBondContact CD2-OG1 3.39Å; F108-T175 HydrophobicContact CE2-CG2 4.43Å; F108-T175 WeakPolarHBondContact CE2-OG1 3.17Å; F108-T175 WeakPolarHBondContact CG-OG1 3.35Å; F108-T175 PolarHBondContact O-OG1 2.98Å; F108-Y187 HydrophobicContact CD1-CD2 4.43Å; F108-Y187 HydrophobicContact CD1-CE1 4.08Å; F108-Y187 AromaticContact CD1-CE2 3.56Å; F108-Y187 HydrophobicContact CD1-CE2 3.56Å; F108-Y187 AromaticContact CD1-CZ 3.32Å; F108-Y187 WeakPolarHBondContact CD1-OH 3.19Å; F108-Y187 AromaticContact CE1-CD2 3.89Å; F108-Y187 HydrophobicContact CE1-CD2 3.89Å; F108-Y187 HydrophobicContact CE1-CE1 4.4Å; F108-Y187 AromaticContact CE1-CE2 3.04Å; F108-Y187 HydrophobicContact CE1-CE2 3.04Å; F108-Y187 AromaticContact CE1-CZ 3.34Å; F108-Y187 VanDerWaalsContact CE1-OH 3.32Å; F108-Y187 WeakPolarHBondContact CE1-OH 3.38Å; F108-Y187 HydrophobicContact CZ-CD2 4.04Å; F108-Y187 AromaticContact CZ-CE2 3.62Å; F108-Y187 HydrophobicContact CZ-CE2 3.62Å
109Q33.6Very low47Very low98 Ų9870 Ų7046%0.45840%0.403SS..THydrogen-bonded Turntrans-96.4-3.6-178.9-62.6-169.2-14.200113.6E107E107-Q109 PolarHBondContact O-N 2.85Å
110S44.8Very low45.6Very low90 Ų9076.2 Ų76.263%0.62943%0.43SS*.THydrogen-bonded Turntrans-157.929.5-171.858.50000118.3E107E107-S110 PolarHBondContact O-N 3.4Å
111S56.4Low44.2Very low17 Ų1777 Ų7712%0.11943%0.434CS..EExtended strand (participates in β ladder)trans-87.8124171.4-65.80000112.1E107 E173 Y174E107-S111 PolarHBondContact O-N 2.92Å; E107-S111 PolarHBondContact O-OG 3.46Å; S111-E173 WeakPolarHBondContact O-CA 3.41Å; S111-Y174 WeakPolarHBondContact CB-O 3.47Å; S111-Y174 WeakPolarHBondContact O-CD1 3.32Å; S111-Y174 PolarHBondContact O-N 3.34Å
112V49.9Very low42.6Very low66 Ų6676.8 Ų76.840%0.444%0.436SS..EExtended strand (participates in β ladder)trans-110.6132.8176.3-179.80000108.5T114 E172 E173V112-T114 PolarHBondContact O-N 3.3Å; V112-E172 WeakPolarHBondContact CA-O 3.35Å; V112-E173 HydrophobicContact CG2-CG 4.32Å
113V49.8Very low41.3Very low5 Ų575.5 Ų75.53%0.0344%0.439CS..  trans-62.4124.1177.2-176.90000109.2L82 F159 L168 T169 P170 G171 E172 Y174L82-V113 HydrophobicContact CD1-CG1 4.13Å; L82-V113 HydrophobicContact CD2-CG1 4.37Å; V113-F159 HydrophobicContact CG1-CD1 4.34Å; V113-F159 HydrophobicContact CG1-CE1 4.27Å; V113-F159 HydrophobicContact CG2-CD1 4.33Å; V113-F159 HydrophobicContact CG2-CE1 3.74Å; V113-L168 HydrophobicContact CG2-CB 4.1Å; V113-T169 WeakPolarHBondContact CB-O 3.31Å; V113-P170 HydrophobicContact CG1-CG 4.43Å; V113-P170 CarbonylContact O-C 3.45Å; V113-P170 WeakPolarHBondContact O-CA 3.45Å; V113-G171 PolarHBondContact O-N 3.48Å; V113-E172 WeakPolarHBondContact CG2-O 3.28Å; V113-E172 PolarHBondContact N-O 3.45Å; V113-Y174 HydrophobicContact CB-CD1 4.46Å; V113-Y174 HydrophobicContact CB-CE1 4.46Å; V113-Y174 HydrophobicContact CG2-CD1 3.46Å; V113-Y174 VanDerWaalsContact CG2-CD1 3.46Å; V113-Y174 HydrophobicContact CG2-CE1 3.83Å; V113-Y174 HydrophobicContact CG2-CG 4.3Å
114T45.5Very low39.9Very low102 Ų10277.4 Ų77.463%0.62646%0.455SS*.  trans-119.9112177.346.40000110.1L82 V112 T116L82-T114 VanDerWaalsContact CD2-O 3.31Å; L82-T114 WeakPolarHBondContact CD2-O 3.34Å; V112-T114 PolarHBondContact O-N 3.3Å; T114-T116 PolarHBondContact O-N 2.98Å
115S40Very low38.8Very low50 Ų5080.6 Ų80.635%0.3548%0.476SS..  trans-74.3109168.649.30000109.9N117 P170S115-N117 PolarHBondContact O-N 3.43Å; S115-P170 WeakPolarHBondContact OG-CG 3.38Å
116T39.3Very low37.7Very low86 Ų8683.8 Ų83.853%0.52850%0.498SS..  trans-76.579.3166.152.10000109.8T114 A118T114-T116 PolarHBondContact O-N 2.98Å; T116-A118 PolarHBondContact O-N 3.44Å
117N34.9Very low37.3Very low127 Ų12784 Ų8468%0.67950%0.5SS*.  trans-63.8120.4172.5-73.40.3000109.9S115 A119S115-N117 PolarHBondContact O-N 3.43Å; N117-A119 VanDerWaalsContact C-N 3.33Å; N117-A119 PolarHBondContact O-N 3.12Å
118A30.8Very low36.4Very low114 Ų11490.5 Ų90.594%0.94252%0.522SS*.SBendtrans33.351.115600000117.5T116T116-A118 PolarHBondContact O-N 3.44Å
119A29.2Very low35.7Very low85 Ų8597.6 Ų97.670%0.70255%0.549SS*.  trans-135.2104.9175.600000110.8N117N117-A119 VanDerWaalsContact C-N 3.33Å; N117-A119 PolarHBondContact O-N 3.12Å
120K28.2Very low35.5Very low183 Ų18398.2 Ų98.280%0.79655%0.552SS**  trans20.6105.2165.1-66.5176.3-178.7176.70115.4N122K120-N122 PolarHBondContact O-N 3.23Å
121I28.8Very low35.1Very low39 Ų3997.9 Ų97.920%0.254%0.542CS..  trans-55.7105.1162.1-58.5148.3000108.2T123 S588 K591 L592I121-T123 HydrophobicContact CG2-CG2 4.05Å; I121-S588 VanDerWaalsContact CD1-O 3.27Å; I121-S588 WeakPolarHBondContact CD1-O 3.38Å; I121-K591 HydrophobicContact CB-CB 3.81Å; I121-K591 HydrophobicContact CB-CD 4.33Å; I121-K591 HydrophobicContact CD1-CB 4.01Å; I121-K591 HydrophobicContact CG2-CB 3.75Å; I121-K591 WeakPolarHBondContact O-CD 3.11Å; I121-K591 WeakPolarHBondContact O-CE 3.48Å; I121-K591 PolarHBondContact O-NZ 2.83Å; I121-L592 HydrophobicContact CD1-CD1 4.45Å; I121-L592 HydrophobicContact CD1-CD2 3.59Å; I121-L592 HydrophobicContact CD1-CG 3.62Å; I121-L592 HydrophobicContact CG1-CD2 4.13Å
122N26.2Very low33.8Very low107 Ų107103.2 Ų103.257%0.57257%0.57SS**  trans-105.1101.7166.9-82.8-1.4000106.5K120 S124K120-N122 PolarHBondContact O-N 3.23Å; N122-S124 PolarHBondContact O-N 2.73Å; N122-S124 VanDerWaalsContact O-N 3.14Å
123T31.6Very low33Very low97 Ų97105.2 Ų105.260%0.59558%0.578SS**  trans-72.39.7174.1350000113.1I121I121-T123 HydrophobicContact CG2-CG2 4.05Å
124S28.7Very low32.2Very low62 Ų62109.2 Ų109.243%0.43461%0.611SS.*  trans-105.130.2-165.8650000114.4N122N122-S124 PolarHBondContact O-N 2.73Å; N122-S124 VanDerWaalsContact O-N 3.14Å
125T30.9Very low31.6Very low104 Ų104111.4 Ų111.464%0.63862%0.619SS**  trans-141.680.1172.7-43.80000110.9N127T125-N127 VanDerWaalsContact C-N 3.34Å; T125-N127 PolarHBondContact O-N 3.41Å
126T28.5Very low31.3Very low127 Ų127117.5 Ų117.578%0.77964%0.642SS**  trans-62.695.815935.80000108.8R128T126-R128 PolarHBondContact O-N 2.92Å
127N32.3Very low31.1Very low107 Ų107122.1 Ų122.157%0.57266%0.657SS**  trans-68.681.6167.2-89.2-19.2000109.1T125 Y129T125-N127 VanDerWaalsContact C-N 3.34Å; T125-N127 PolarHBondContact O-N 3.41Å; N127-Y129 HydrophobicContact CB-CD2 3.89Å; N127-Y129 HydrophobicContact CB-CE2 3.87Å; N127-Y129 PolarHBondContact O-N 3.02Å
128R29.6Very low31.2Very low205 Ų205122.6 Ų122.677%0.77467%0.665SS**  trans-70.372.9170.7-169.6-177.7-177.7143.41.6109T126 E130T126-R128 PolarHBondContact O-N 2.92Å; R128-E130 HydrophobicContact CG-CG 4.18Å; R128-E130 IonicContact CZ-OE1 3.7Å; R128-E130 IonicContact NE-OE1 2.83Å; R128-E130 PolarHBondContact NE-OE1 3.29Å; R128-E130 IonicContact NH2-OE1 3Å; R128-E130 PolarHBondContact NH2-OE1 3.12Å; R128-E130 PolarHBondContact O-N 3.26Å
129Y30.6Very low31Very low178 Ų178125 Ų12570%0.69866%0.662SS**  trans-72.579.8164.7-77.7-74.8000108.6N127 L131N127-Y129 HydrophobicContact CB-CD2 3.89Å; N127-Y129 HydrophobicContact CB-CE2 3.87Å; N127-Y129 PolarHBondContact O-N 3.02Å; Y129-L131 PolarHBondContact O-N 2.98Å
130E29.5Very low31.2Very low112 Ų112126.3 Ų126.352%0.52366%0.661SS.*  trans-65.790.7157.6-78.2176.6-166.700107.7R128 N132R128-E130 HydrophobicContact CG-CG 4.18Å; R128-E130 IonicContact CZ-OE1 3.7Å; R128-E130 IonicContact NE-OE1 2.83Å; R128-E130 PolarHBondContact NE-OE1 3.29Å; R128-E130 IonicContact NH2-OE1 3Å; R128-E130 PolarHBondContact NH2-OE1 3.12Å; R128-E130 PolarHBondContact O-N 3.26Å; E130-N132 PolarHBondContact O-N 2.83Å
131L35.6Very low31.7Very low82 Ų82123.6 Ų123.643%0.42966%0.66SS.*  trans-6973168.2-79.1169.6000109.2Y129 L133Y129-L131 PolarHBondContact O-N 2.98Å; L131-L133 HydrophobicContact CB-CD1 4.16Å; L131-L133 HydrophobicContact CD2-CD1 4.02Å; L131-L133 PolarHBondContact O-N 2.97Å
132N29.6Very low32.1Very low130 Ų130132.2 Ų132.270%0.69570%0.696SS**  trans-70.672.3166.8-72.6-62.4000109.3E130 A134E130-N132 PolarHBondContact O-N 2.83Å; N132-A134 VanDerWaalsContact C-N 3.27Å; N132-A134 PolarHBondContact O-N 3.14Å; N132-A134 VanDerWaalsContact O-N 3.15Å
133L34.5Very low32.8Very low108 Ų108131.1 Ų131.157%0.56569%0.69SS**  trans-77.587.5158.1-8483.4000107.4L131 N135L131-L133 HydrophobicContact CB-CD1 4.16Å; L131-L133 HydrophobicContact CD2-CD1 4.02Å; L131-L133 PolarHBondContact O-N 2.97Å; L133-N135 PolarHBondContact O-N 3.48Å; L133-N135 VanDerWaalsContact O-N 3.15Å
134A31Very low33.6Very low88 Ų88130.3 Ų130.373%0.72769%0.689SS**  trans-70.1102.7162.700000107.9N132N132-A134 VanDerWaalsContact C-N 3.27Å; N132-A134 PolarHBondContact O-N 3.14Å; N132-A134 VanDerWaalsContact O-N 3.15Å
135N33.1Very low34.9Very low148 Ų148133.3 Ų133.379%0.79169%0.694SS**  trans-73.2119.4151.7-72.4-5.9000106.3L133L133-N135 PolarHBondContact O-N 3.48Å; L133-N135 VanDerWaalsContact O-N 3.15Å
136E33.9Very low36.2Very low178 Ų178133 Ų13383%0.83269%0.688SS**  trans-68161163.6-65.4177.5134.600108.8
137E36.2Very low38Very low184 Ų184129.1 Ų129.186%0.8666%0.663SS**  trans70.669.9176.8-54.7-179.3179.600117.2
138T35.7Very low39.9Very low137 Ų137126 Ų12684%0.8465%0.649SS**  -169.6143.3109.520.30000110.8T140T138-T140 PolarHBondContact O-N 3.35Å; T138-T140 VanDerWaalsContact O-N 3.16Å
139D27.4Very low42.1Very low165 Ų165119.8 Ų119.888%0.88263%0.634SS**  trans-81.893.9-174.8-158.82.7000110.4
140T33.1Very low44.4Very low111 Ų111114 Ų11468%0.68162%0.615SS**SBendtrans-168.4124.8160.612.10000111T138T138-T140 PolarHBondContact O-N 3.35Å; T138-T140 VanDerWaalsContact O-N 3.16Å
141T38.1Very low47Very low127 Ų127111.9 Ų111.978%0.77961%0.607SS**  trans4497.1164.355.20000117.6D143T141-D143 VanDerWaalsContact C-N 3.29Å; T141-D143 PolarHBondContact O-N 3.02Å
142K37.7Very low49.5Very low220 Ų220109.5 Ų109.596%0.95759%0.593SS**  trans-64.482.2166.8-76.6179.1175.7169.90112.1S144K142-S144 PolarHBondContact O-N 2.79Å
143D40.7Very low52.3Low83 Ų83105.6 Ų105.644%0.44457%0.569SS.*  trans-83.8108.3172.4-136.8-7.3000109.8K91 T141 F145K91-D143 IonicContact NZ-OD1 3.54Å; K91-D143 PolarHBondContact NZ-OD1 3.39Å; K91-D143 IonicContact NZ-OD2 2.61Å; K91-D143 PolarHBondContact NZ-OD2 3.08Å; T141-D143 VanDerWaalsContact C-N 3.29Å; T141-D143 PolarHBondContact O-N 3.02Å; D143-F145 PolarHBondContact O-N 2.88Å; D143-F145 VanDerWaalsContact O-N 3.15Å
144S48.8Very low55Low80 Ų80100.4 Ų100.456%0.55954%0.542SS*.  trans-67.3112.4-178.1177.70000110K142 N146K142-S144 PolarHBondContact O-N 2.79Å; S144-N146 PolarHBondContact O-N 3.16Å; S144-N146 PolarHBondContact O-ND2 3.42Å; S144-N146 PolarHBondContact OG-ND2 3.38Å
145F55Low57.9Low126 Ų12697.6 Ų97.655%0.55351%0.514SS*.  trans-64.995.9176.7-66.9-83.6000110.8Q96 D143 L147Q96-F145 HydrophobicContact CG-CE1 4.44Å; D143-F145 PolarHBondContact O-N 2.88Å; D143-F145 VanDerWaalsContact O-N 3.15Å; F145-L147 PolarHBondContact O-N 2.89Å
146N59.3Low60.6Low96 Ų9693.2 Ų93.251%0.51349%0.492SS..  trans-88.3100.8173.5-75.4-94.2000108.4V90 S144V90-N146 HydrophobicContact CB-CB 4.05Å; V90-N146 WeakPolarHBondContact CB-O 3.42Å; V90-N146 HydrophobicContact CG2-CB 4.17Å; V90-N146 VanDerWaalsContact CG2-O 3.25Å; V90-N146 WeakPolarHBondContact CG2-O 3.31Å; V90-N146 PolarHBondContact N-O 3.02Å; S144-N146 PolarHBondContact O-N 3.16Å; S144-N146 PolarHBondContact O-ND2 3.42Å; S144-N146 PolarHBondContact OG-ND2 3.38Å
147L66.3Low63.4Low47 Ų4790.2 Ų90.225%0.24648%0.482CS..EExtended strand (participates in β ladder)trans-87.8124.7168.1-75.1162.6000109.2F99 I100 Q103 F145F99-L147 HydrophobicContact CE1-CD1 4.03Å; I100-L147 HydrophobicContact CG1-CD2 4.11Å; Q103-L147 HydrophobicContact CG-CD1 4.44Å; F145-L147 PolarHBondContact O-N 2.89Å
148S71.6Confident66.2Low41 Ų4182.9 Ų82.929%0.28745%0.451SS..EExtended strand (participates in β ladder)trans-84.8130.3166.763.50000109.5Y87 K88Y87-S148 WeakPolarHBondContact CA-O 3.14Å; K88-S148 PolarHBondContact N-O 3.4Å; K88-S148 PolarHBondContact O-N 3.38Å; K88-S148 PolarHBondContact O-OG 3.22Å
149V76.5Confident69Low74 Ų7476.5 Ų76.545%0.44841%0.411SS..EExtended strand (participates in β ladder)trans-90.3122.5171.7-170.80000108.3Y85 T86 Y87Y85-V149 HydrophobicContact CD1-CG1 3.9Å; T86-V149 CarbonylContact O-C 3.6Å; T86-V149 WeakPolarHBondContact O-CA 3.33Å; Y87-V149 HydrophobicContact CD1-CG2 3.93Å; Y87-V149 HydrophobicContact CE1-CG1 4.4Å; Y87-V149 HydrophobicContact CE1-CG2 3.72Å
150L78.3Confident72.3Confident58 Ų5873.2 Ų73.230%0.30439%0.389SS..EExtended strand (participates in β ladder)trans-100.5150.3170.7-64.6178.4000110Y85 T86 K88Y85-L150 WeakPolarHBondContact CA-O 3.43Å; T86-L150 PolarHBondContact N-O 2.68Å; T86-L150 PolarHBondContact O-N 3.31Å; T86-L150 WeakPolarHBondContact OG1-CB 3.3Å; K88-L150 HydrophobicContact CD-CD1 3.61Å; K88-L150 HydrophobicContact CG-CD1 3.83Å
151I85.5Confident75.2Confident67 Ų6767.9 Ų67.934%0.34436%0.356SS..EExtended strand (participates in β ladder)trans-121.8120.4178.1-48.4-178.8000108R83 Y85 Y153R83-I151 HydrophobicContact CB-CG2 4.1Å; R83-I151 HydrophobicContact CG-CG2 4.29Å; Y85-I151 HydrophobicContact CD1-CD1 4.25Å; Y85-I151 HydrophobicContact CD1-CG1 3.79Å; Y85-I151 HydrophobicContact CE1-CD1 3.6Å; Y85-I151 HydrophobicContact CE1-CG1 3.64Å; Y85-I151 HydrophobicContact CE1-CG2 4.26Å; I151-Y153 HydrophobicContact CB-CE2 4.09Å; I151-Y153 HydrophobicContact CG2-CD2 4.25Å; I151-Y153 HydrophobicContact CG2-CE1 4.44Å; I151-Y153 HydrophobicContact CG2-CE2 3.74Å
152H87Confident77.9Confident32 Ų3263.9 Ų63.915%0.14833%0.333CS..EExtended strand (participates in β ladder)trans-100.8129.9171.3-56.4-64.2000109K69 R83 L84 T86 F154K69-H152 HydrophobicContact CB-CB 4.36Å; K69-H152 HydrophobicContact CG-CB 4.42Å; R83-H152 WeakPolarHBondContact CA-O 3.34Å; L84-H152 HydrophobicContact CB-CB 4.46Å; L84-H152 HydrophobicContact CD2-CB 4.41Å; L84-H152 PolarHBondContact N-O 3.4Å; L84-H152 PolarHBondContact O-N 3.27Å; T86-H152 PolarHBondContact OG1-NE2 3.31Å; H152-F154 HydrophobicContact CB-CE2 3.77Å; H152-F154 HydrophobicContact CB-CZ 4.5Å
153Y89Confident80.6Confident47 Ų4756.7 Ų56.718%0.18431%0.305CS..EExtended strand (participates in β ladder)trans-101.9141.9179.3-64.9-99.2000109.7I66 C68 K69 I75 L82 R83 I151I66-Y153 HydrophobicContact CD1-CE2 4.4Å; I66-Y153 HydrophobicContact CG2-CD1 4.47Å; I66-Y153 HydrophobicContact CG2-CD2 3.51Å; I66-Y153 HydrophobicContact CG2-CE2 4.09Å; I66-Y153 HydrophobicContact CG2-CG 3.74Å; C68-Y153 CarbonylContact C-O 3.58Å; C68-Y153 WeakPolarHBondContact CA-O 3.31Å; K69-Y153 PolarHBondContact N-O 3.29Å; I75-Y153 VanDerWaalsContact CD1-CB 3.41Å; I75-Y153 HydrophobicContact CD1-CG 4.34Å; L82-Y153 WeakPolarHBondContact O-CA 3.45Å; R83-Y153 HydrophobicContact CG-CD1 3.98Å; R83-Y153 HydrophobicContact CG-CE1 3.9Å; I151-Y153 HydrophobicContact CB-CE2 4.09Å; I151-Y153 HydrophobicContact CG2-CD2 4.25Å; I151-Y153 HydrophobicContact CG2-CE1 4.44Å; I151-Y153 HydrophobicContact CG2-CE2 3.74Å
154F91.2Very high83.3Confident0 Ų055.5 Ų55.50%030%0.302CS..EExtended strand (participates in β ladder)trans-134.2141.8176.5-65.2-102000108.9K69 V81 L82 L84 H152 F159 M180K69-F154 HydrophobicContact CB-CD1 4.28Å; K69-F154 HydrophobicContact CB-CD2 4.49Å; K69-F154 HydrophobicContact CB-CE1 3.78Å; K69-F154 HydrophobicContact CB-CE2 4.01Å; K69-F154 HydrophobicContact CB-CZ 3.63Å; K69-F154 HydrophobicContact CG-CE1 4.11Å; K69-F154 HydrophobicContact CG-CE2 4.39Å; K69-F154 HydrophobicContact CG-CZ 3.74Å; V81-F154 CarbonylContact C-O 3.53Å; V81-F154 WeakPolarHBondContact CA-O 3.27Å; V81-F154 WeakPolarHBondContact CB-O 3.48Å; L82-F154 PolarHBondContact N-O 2.96Å; L82-F154 PolarHBondContact O-N 3.47Å; L84-F154 HydrophobicContact CB-CD2 4.39Å; L84-F154 HydrophobicContact CB-CE2 3.92Å; L84-F154 HydrophobicContact CD1-CE2 4.26Å; H152-F154 HydrophobicContact CB-CE2 3.77Å; H152-F154 HydrophobicContact CB-CZ 4.5Å; F154-F159 HydrophobicContact CB-CB 4.29Å; F154-F159 HydrophobicContact CB-CD2 3.93Å; F154-F159 HydrophobicContact CD1-CD2 4.28Å; F154-F159 AromaticContact CD2-CD2 3.83Å; F154-F159 HydrophobicContact CD2-CD2 3.83Å; F154-F159 HydrophobicContact CD2-CE2 4.12Å; F154-F159 HydrophobicContact CE2-CD2 4.4Å; F154-F159 HydrophobicContact CE2-CE2 4.36Å; F154-F159 AromaticContact CG-CD2 3.77Å; F154-F159 HydrophobicContact CG-CD2 3.77Å; F154-F159 HydrophobicContact CG-CE2 4.49Å; F154-M180 HydrophobicContact CE1-CE 3.99Å; F154-M180 HydrophobicContact CE1-SD 4.06Å; F154-M180 HydrophobicContact CZ-SD 4.04Å
155H91.3Very high85.5Confident29 Ų2957 Ų5713%0.13431%0.305CS..EExtended strand (participates in β ladder)trans-57.5148.2156.2-63.4104.8000109C68 C71 D79 D157 C158 F159C68-H155 WeakPolarHBondContact CB-ND1 3.33Å; C68-H155 PolarHBondContact SG-N 3.4Å; C68-H155 PolarHBondContact SG-ND1 2.94Å; C68-H155 VanDerWaalsContact SG-ND1 3.38Å; C71-H155 PolarHBondContact SG-ND1 3.15Å; C71-H155 VanDerWaalsContact SG-ND1 3.4Å; D79-H155 VanDerWaalsContact CG-NE2 3.35Å; D79-H155 IonicContact OD1-CD2 3.89Å; D79-H155 IonicContact OD1-NE2 3.9Å; D79-H155 IonicContact OD2-CD2 2.86Å; D79-H155 PolarHBondContact OD2-CD2 2.84Å; D79-H155 IonicContact OD2-CE1 3.4Å; D79-H155 IonicContact OD2-NE2 3.24Å; D79-H155 PolarHBondContact OD2-NE2 3.01Å; H155-D157 VanDerWaalsContact C-N 3.28Å; H155-D157 PolarHBondContact O-N 3.12Å; H155-C158 HydrophobicContact CB-CB 3.99Å; H155-C158 WeakPolarHBondContact O-CA 3.43Å; H155-C158 WeakPolarHBondContact O-CB 3.48Å; H155-C158 PolarHBondContact O-N 2.89Å; H155-F159 PolarHBondContact O-N 2.83Å
156V90Very high87.5Confident55 Ų5555.4 Ų55.433%0.33330%0.295SS..G310 helixtrans-49.8-51.2176.2170.60000110.7S80 L82 C158 F159 L167S80-V156 PolarHBondContact O-N 2.86Å; S80-V156 VanDerWaalsContact O-N 3.17Å; L82-V156 HydrophobicContact CG-CG2 4.27Å; V156-C158 PolarHBondContact O-N 2.92Å; V156-C158 VanDerWaalsContact O-N 3.14Å; V156-F159 PolarHBondContact O-N 2.81Å; V156-F159 VanDerWaalsContact O-N 3.12Å; V156-L167 VanDerWaalsContact O-CD1 3.31Å; V156-L167 WeakPolarHBondContact O-CD1 3.21Å
157D93.2Very high89.1Confident115 Ų11554 Ų5462%0.61529%0.287SS*.G310 helixtrans-67.6-13.7-180-57.4-44.9000114.6H155 K160H155-D157 VanDerWaalsContact C-N 3.28Å; H155-D157 PolarHBondContact O-N 3.12Å; D157-K160 WeakPolarHBondContact O-CE 3.43Å
158C95.2Very high90.3Very high31 Ų3151.9 Ų51.921%0.20928%0.276CS..G310 helixtrans-95.8-5.4177.3-69.10000113.2C68 H155 V156 K160C68-C158 WeakPolarHBondContact SG-CB 3.32Å; H155-C158 HydrophobicContact CB-CB 3.99Å; H155-C158 WeakPolarHBondContact O-CA 3.43Å; H155-C158 WeakPolarHBondContact O-CB 3.48Å; H155-C158 PolarHBondContact O-N 2.89Å; V156-C158 PolarHBondContact O-N 2.92Å; V156-C158 VanDerWaalsContact O-N 3.14Å; C158-K160 PolarHBondContact O-N 2.92Å
159F94.6Very high90.8Very high3 Ų353.1 Ų53.11%0.01328%0.281CS..  trans-81.870.1178-160.9-100.3000110.5L82 L84 V113 F154 H155 V156 L168 Y174 P181L82-F159 HydrophobicContact CB-CD2 4.12Å; L82-F159 HydrophobicContact CB-CG 4.27Å; L82-F159 HydrophobicContact CD1-CB 3.5Å; L82-F159 HydrophobicContact CD1-CD1 3.81Å; L82-F159 HydrophobicContact CD1-CD2 4.29Å; L82-F159 HydrophobicContact CD1-CG 3.59Å; L84-F159 HydrophobicContact CB-CE2 4.13Å; L84-F159 HydrophobicContact CD1-CE2 3.85Å; L84-F159 HydrophobicContact CD1-CZ 4.14Å; V113-F159 HydrophobicContact CG1-CD1 4.34Å; V113-F159 HydrophobicContact CG1-CE1 4.27Å; V113-F159 HydrophobicContact CG2-CD1 4.33Å; V113-F159 HydrophobicContact CG2-CE1 3.74Å; F154-F159 HydrophobicContact CB-CB 4.29Å; F154-F159 HydrophobicContact CB-CD2 3.93Å; F154-F159 HydrophobicContact CD1-CD2 4.28Å; F154-F159 AromaticContact CD2-CD2 3.83Å; F154-F159 HydrophobicContact CD2-CD2 3.83Å; F154-F159 HydrophobicContact CD2-CE2 4.12Å; F154-F159 HydrophobicContact CE2-CD2 4.4Å; F154-F159 HydrophobicContact CE2-CE2 4.36Å; F154-F159 AromaticContact CG-CD2 3.77Å; F154-F159 HydrophobicContact CG-CD2 3.77Å; F154-F159 HydrophobicContact CG-CE2 4.49Å; H155-F159 PolarHBondContact O-N 2.83Å; V156-F159 PolarHBondContact O-N 2.81Å; V156-F159 VanDerWaalsContact O-N 3.12Å; F159-L168 HydrophobicContact CD1-CB 3.78Å; F159-L168 HydrophobicContact CD1-CD1 4.41Å; F159-L168 HydrophobicContact CE1-CB 4.03Å; F159-L168 HydrophobicContact CE1-CD1 4.13Å; F159-L168 WeakPolarHBondContact O-CB 3.49Å; F159-L168 PolarHBondContact O-N 3.29Å; F159-Y174 HydrophobicContact CE1-CD2 4.48Å; F159-Y174 HydrophobicContact CE1-CE1 4.5Å; F159-Y174 HydrophobicContact CE1-CE2 4.49Å; F159-Y174 HydrophobicContact CZ-CD2 4.13Å; F159-Y174 HydrophobicContact CZ-CE1 4.36Å; F159-Y174 AromaticContact CZ-CE2 3.8Å; F159-Y174 HydrophobicContact CZ-CE2 3.8Å; F159-Y174 AromaticContact CZ-CZ 3.92Å; F159-P181 HydrophobicContact CD1-CG 4.48Å; F159-P181 HydrophobicContact CD2-CG 4.03Å; F159-P181 HydrophobicContact CE1-CB 3.96Å; F159-P181 HydrophobicContact CE1-CG 4.19Å; F159-P181 HydrophobicContact CE2-CB 3.95Å; F159-P181 HydrophobicContact CE2-CG 3.75Å; F159-P181 HydrophobicContact CG-CG 4.38Å; F159-P181 HydrophobicContact CZ-CB 3.56Å; F159-P181 HydrophobicContact CZ-CG 3.84Å
160K95.1Very high91Very high95 Ų9553 Ų5341%0.41328%0.283SS..BIsolated β-bridgetrans-110.1145.8-175.2-53.9-172.3-174.9-170.50111.1D157 C158 C162 N165 R166 L167 P181D157-K160 WeakPolarHBondContact O-CE 3.43Å; C158-K160 PolarHBondContact O-N 2.92Å; K160-C162 PolarHBondContact O-N 2.93Å; K160-N165 WeakPolarHBondContact CD-O 3.42Å; K160-R166 CarbonylContact C-O 3.58Å; K160-R166 VanDerWaalsContact CA-O 3.27Å; K160-R166 WeakPolarHBondContact CA-O 3.45Å; K160-L167 HydrophobicContact CG-CD1 4.17Å; K160-P181 WeakPolarHBondContact O-CG 3.44Å
161C95.3Very high90.9Very high0 Ų052.9 Ų52.90%030%0.295CS..  trans-52.5128.7171.4-178.40000111.3D163 C164 N165 R166 L168 P181 C183 D186C161-D163 PolarHBondContact O-N 3.23Å; C161-D163 PolarHBondContact SG-N 3.04Å; C161-C164 VanDerWaalsContact CB-SG 3.57Å; C161-N165 WeakPolarHBondContact O-CA 3.31Å; C161-N165 PolarHBondContact O-N 2.98Å; C161-R166 PolarHBondContact N-O 2.66Å; C161-L168 HydrophobicContact CB-CD1 4.48Å; C161-P181 CarbonylContact C-O 3.52Å; C161-P181 WeakPolarHBondContact CA-O 3.38Å; C161-C183 HydrophobicContact CB-CB 4.04Å; C161-C183 PolarHBondContact SG-N 3.28Å; C161-D186 PolarHBondContact SG-OD2 2.88Å
162C94.8Very high90.8Very high43 Ų4351.9 Ų51.929%0.29129%0.289SS..THydrogen-bonded Turntrans-67.9-19.3-179.359.60000114.6K160 M180 P181K160-C162 PolarHBondContact O-N 2.93Å; C162-M180 HydrophobicContact CB-CB 3.82Å; C162-P181 PolarHBondContact N-O 3.32Å; C162-P181 PolarHBondContact SG-O 2.84Å
163D94.3Very high90.6Very high68 Ų6856 Ų5636%0.36431%0.308SS..THydrogen-bonded Turntrans-97.5-61.6179.7-705.8000111.1C161 K177 L182 D186C161-D163 PolarHBondContact O-N 3.23Å; C161-D163 PolarHBondContact SG-N 3.04Å; D163-K177 IonicContact OD1-NZ 2.7Å; D163-K177 PolarHBondContact OD1-NZ 3.01Å; D163-K177 IonicContact OD2-NZ 3.24Å; D163-K177 PolarHBondContact OD2-NZ 3.4Å; D163-L182 HydrophobicContact CB-CD1 3.7Å; D163-L182 VanDerWaalsContact OD2-CD1 3.31Å; D163-L182 WeakPolarHBondContact OD2-CD1 3.32Å; D163-D186 HydrophobicContact CB-CB 4.06Å
164C96.1Very high90.5Very high58 Ų5854.6 Ų54.639%0.39230%0.303SS..THydrogen-bonded Turntrans-85.6-2.4179.7720000116.3C161 R166 D186C161-C164 VanDerWaalsContact CB-SG 3.57Å; C164-R166 PolarHBondContact O-N 3.3Å; C164-R166 WeakPolarHBondContact SG-CB 3.43Å; C164-D186 WeakPolarHBondContact CB-OD2 3.14Å; C164-D186 PolarHBondContact N-OD2 3.28Å; C164-D186 PolarHBondContact SG-OD2 2.91Å
165N96.4Very high90.2Very high113 Ų11354.6 Ų54.660%0.60430%0.303SS*.  trans57.312.4-175.4-68-79.7000115.8K160 C161K160-N165 WeakPolarHBondContact CD-O 3.42Å; C161-N165 WeakPolarHBondContact O-CA 3.31Å; C161-N165 PolarHBondContact O-N 2.98Å
166R96Very high89.9Confident92 Ų9254.1 Ų54.135%0.34730%0.301SS..PPolyproline II helixtrans-69.5133.9175.7-170.2170.374.485-9.2110.9K160 C161 C164 L168 E172K160-R166 CarbonylContact C-O 3.58Å; K160-R166 VanDerWaalsContact CA-O 3.27Å; K160-R166 WeakPolarHBondContact CA-O 3.45Å; C161-R166 PolarHBondContact N-O 2.66Å; C164-R166 PolarHBondContact O-N 3.3Å; C164-R166 WeakPolarHBondContact SG-CB 3.43Å; R166-L168 PolarHBondContact O-N 2.96Å; R166-E172 IonicContact CZ-OE1 2.65Å; R166-E172 VanDerWaalsContact CZ-OE1 3.24Å; R166-E172 IonicContact NH1-OE1 2.93Å; R166-E172 PolarHBondContact NH1-OE1 3.27Å; R166-E172 IonicContact NH1-OE2 3.96Å; R166-E172 PolarHBondContact NH1-OE2 2.92Å; R166-E172 IonicContact NH2-OE1 2.94Å; R166-E172 PolarHBondContact NH2-OE1 3.16Å
167L94.2Very high89.7Confident65 Ų6554.6 Ų54.634%0.3430%0.298SS..BIsolated β-bridgetrans-62.6130.5171.9-17665.4000110.1V156 K160V156-L167 VanDerWaalsContact O-CD1 3.31Å; V156-L167 WeakPolarHBondContact O-CD1 3.21Å; K160-L167 HydrophobicContact CG-CD1 4.17Å
168L90.6Very high89.3Confident3 Ų356.1 Ų56.12%0.01631%0.307CS..PPolyproline II helixtrans-99116.6179.6-70.9167.3000109.9V113 F159 C161 R166 P181 C183V113-L168 HydrophobicContact CG2-CB 4.1Å; F159-L168 HydrophobicContact CD1-CB 3.78Å; F159-L168 HydrophobicContact CD1-CD1 4.41Å; F159-L168 HydrophobicContact CE1-CB 4.03Å; F159-L168 HydrophobicContact CE1-CD1 4.13Å; F159-L168 WeakPolarHBondContact O-CB 3.49Å; F159-L168 PolarHBondContact O-N 3.29Å; C161-L168 HydrophobicContact CB-CD1 4.48Å; R166-L168 PolarHBondContact O-N 2.96Å; L168-P181 HydrophobicContact CD1-CB 3.8Å; L168-P181 HydrophobicContact CD1-CG 4.28Å; L168-C183 HydrophobicContact CD2-CB 3.66Å
169T82.1Confident88.9Confident67 Ų6756.5 Ų56.541%0.41131%0.309SS..PPolyproline II helixtrans-95.9154.1-172.757.90000112.5V113 G171 E172V113-T169 WeakPolarHBondContact CB-O 3.31Å; T169-G171 PolarHBondContact O-N 3.14Å; T169-E172 PolarHBondContact N-OE2 3.24Å; T169-E172 WeakPolarHBondContact O-CB 3.5Å; T169-E172 PolarHBondContact O-N 3.47Å; T169-E172 WeakPolarHBondContact OG1-CG 3.44Å; T169-E172 PolarHBondContact OG1-OE2 3.09Å
170P80.3Confident88.8Confident73 Ų7358.6 Ų58.647%0.47432%0.32SS..THydrogen-bonded Turntrans-54.4129.4178.9-27.336.6000113V113 S115V113-P170 HydrophobicContact CG1-CG 4.43Å; V113-P170 CarbonylContact O-C 3.45Å; V113-P170 WeakPolarHBondContact O-CA 3.45Å; S115-P170 WeakPolarHBondContact OG-CG 3.38Å
171G76.7Confident88.5Confident55 Ų5554.1 Ų54.157%0.56730%0.3SS*.THydrogen-bonded Turntrans94-15.4-173.800000114.8V113 T169V113-G171 PolarHBondContact O-N 3.48Å; T169-G171 PolarHBondContact O-N 3.14Å
172E83.5Confident88.3Confident46 Ų4654.2 Ų54.222%0.21530%0.301CS..  trans-71.3143.9169.1-67.6-17199.300111.1V112 V113 R166 T169V112-E172 WeakPolarHBondContact CA-O 3.35Å; V113-E172 WeakPolarHBondContact CG2-O 3.28Å; V113-E172 PolarHBondContact N-O 3.45Å; R166-E172 IonicContact CZ-OE1 2.65Å; R166-E172 VanDerWaalsContact CZ-OE1 3.24Å; R166-E172 IonicContact NH1-OE1 2.93Å; R166-E172 PolarHBondContact NH1-OE1 3.27Å; R166-E172 IonicContact NH1-OE2 3.96Å; R166-E172 PolarHBondContact NH1-OE2 2.92Å; R166-E172 IonicContact NH2-OE1 2.94Å; R166-E172 PolarHBondContact NH2-OE1 3.16Å; T169-E172 PolarHBondContact N-OE2 3.24Å; T169-E172 WeakPolarHBondContact O-CB 3.5Å; T169-E172 PolarHBondContact O-N 3.47Å; T169-E172 WeakPolarHBondContact OG1-CG 3.44Å; T169-E172 PolarHBondContact OG1-OE2 3.09Å
173E82.3Confident88.1Confident117 Ų11752.2 Ų52.255%0.54729%0.287SS..EExtended strand (participates in β ladder)trans-80.7143.1171.2-64.7-179.9166.200109.5S111 V112 I184S111-E173 WeakPolarHBondContact O-CA 3.41Å; V112-E173 HydrophobicContact CG2-CG 4.32Å; E173-I184 HydrophobicContact CB-CD1 4.35Å; E173-I184 HydrophobicContact CB-CG1 3.47Å; E173-I184 VanDerWaalsContact CB-CG1 3.47Å
174Y87.7Confident87.9Confident19 Ų1950.5 Ų50.58%0.07528%0.278CS..EExtended strand (participates in β ladder)trans-147.6169.9176.374.5-78.9000110.2L84 S111 V113 F159 I176 P181 L182L84-Y174 HydrophobicContact CD1-CE2 4.11Å; S111-Y174 WeakPolarHBondContact CB-O 3.47Å; S111-Y174 WeakPolarHBondContact O-CD1 3.32Å; S111-Y174 PolarHBondContact O-N 3.34Å; V113-Y174 HydrophobicContact CB-CD1 4.46Å; V113-Y174 HydrophobicContact CB-CE1 4.46Å; V113-Y174 HydrophobicContact CG2-CD1 3.46Å; V113-Y174 VanDerWaalsContact CG2-CD1 3.46Å; V113-Y174 HydrophobicContact CG2-CE1 3.83Å; V113-Y174 HydrophobicContact CG2-CG 4.3Å; F159-Y174 HydrophobicContact CE1-CD2 4.48Å; F159-Y174 HydrophobicContact CE1-CE1 4.5Å; F159-Y174 HydrophobicContact CE1-CE2 4.49Å; F159-Y174 HydrophobicContact CZ-CD2 4.13Å; F159-Y174 HydrophobicContact CZ-CE1 4.36Å; F159-Y174 AromaticContact CZ-CE2 3.8Å; F159-Y174 HydrophobicContact CZ-CE2 3.8Å; F159-Y174 AromaticContact CZ-CZ 3.92Å; Y174-I176 HydrophobicContact CE2-CG1 4.18Å; Y174-P181 HydrophobicContact CD2-CB 3.8Å; Y174-P181 HydrophobicContact CE2-CB 4.29Å; Y174-L182 CarbonylContact C-O 3.5Å; Y174-L182 WeakPolarHBondContact CA-O 3.14Å; Y174-L182 WeakPolarHBondContact CB-O 3.49Å
175T84.2Confident87.6Confident0 Ų054 Ų540%029%0.29CS..EExtended strand (participates in β ladder)trans-132.7173.9174.5-172.30000110.5F108 P181 L182 Y187F108-T175 WeakPolarHBondContact CA-OG1 3.31Å; F108-T175 WeakPolarHBondContact CB-OG1 3.45Å; F108-T175 HydrophobicContact CD2-CG2 4.4Å; F108-T175 WeakPolarHBondContact CD2-OG1 3.39Å; F108-T175 HydrophobicContact CE2-CG2 4.43Å; F108-T175 WeakPolarHBondContact CE2-OG1 3.17Å; F108-T175 WeakPolarHBondContact CG-OG1 3.35Å; F108-T175 PolarHBondContact O-OG1 2.98Å; T175-P181 CarbonylContact O-C 3.55Å; T175-P181 WeakPolarHBondContact O-CA 3.47Å; T175-L182 HydrophobicContact CG2-CB 3.7Å; T175-L182 HydrophobicContact CG2-CD2 3.67Å; T175-L182 HydrophobicContact CG2-CG 3.91Å; T175-L182 PolarHBondContact N-O 2.82Å; T175-L182 PolarHBondContact O-N 3.5Å; T175-Y187 HydrophobicContact CG2-CD1 4.12Å; T175-Y187 HydrophobicContact CG2-CD2 4.19Å; T175-Y187 HydrophobicContact CG2-CG 3.7Å
176I85.3Confident87.4Confident18 Ų1850 Ų509%0.09227%0.269CS..EExtended strand (participates in β ladder)trans-116.7124.6-175-53.7173.3000110.2L84 Y85 T86 Y174 M180L84-I176 HydrophobicContact CD1-CD1 4.45Å; L84-I176 HydrophobicContact CD1-CG1 4.17Å; L84-I176 HydrophobicContact CD2-CD1 3.87Å; L84-I176 HydrophobicContact CD2-CG1 4.27Å; L84-I176 HydrophobicContact CD2-CG2 4.05Å; L84-I176 HydrophobicContact CG-CD1 3.94Å; L84-I176 HydrophobicContact CG-CG1 4.21Å; Y85-I176 WeakPolarHBondContact O-CD1 3.46Å; T86-I176 HydrophobicContact CG2-CD1 4.48Å; T86-I176 HydrophobicContact CG2-CG2 4Å; Y174-I176 HydrophobicContact CE2-CG1 4.18Å; I176-M180 WeakPolarHBondContact CA-O 3.47Å
177K85.2Confident87.1Confident65 Ų6546.8 Ų46.828%0.28326%0.257SS..EExtended strand (participates in β ladder)trans-127.8118.7177.2179.4178.9173-165.20108.1D163 C179 M180 L182D163-K177 IonicContact OD1-NZ 2.7Å; D163-K177 PolarHBondContact OD1-NZ 3.01Å; D163-K177 IonicContact OD2-NZ 3.24Å; D163-K177 PolarHBondContact OD2-NZ 3.4Å; K177-C179 VanDerWaalsContact C-N 3.31Å; K177-C179 PolarHBondContact O-N 3.48Å; K177-M180 PolarHBondContact N-O 2.9Å; K177-M180 WeakPolarHBondContact O-CB 3.49Å; K177-M180 PolarHBondContact O-N 3.34Å; K177-M180 VanDerWaalsContact O-O 3.11Å; K177-L182 HydrophobicContact CB-CB 4.22Å; K177-L182 HydrophobicContact CB-CD2 4.29Å; K177-L182 HydrophobicContact CD-CD1 4.4Å; K177-L182 HydrophobicContact CD-CD2 3.97Å
178N85.3Confident86.8Confident148 Ų14849 Ų4979%0.79127%0.265SS*.THydrogen-bonded Turntrans51.343.5-179.5-60.1-16000114.4M180N178-M180 PolarHBondContact O-N 3.11Å
179C86.7Confident86.8Confident38 Ų3854.9 Ų54.926%0.25729%0.291SS..THydrogen-bonded Turntrans63.614.1-175.1-51.40000115.6T86 K177T86-C179 HydrophobicContact CG2-CB 4.23Å; K177-C179 VanDerWaalsContact C-N 3.31Å; K177-C179 PolarHBondContact O-N 3.48Å
180M91.9Very high87Confident48 Ų4855.8 Ų55.824%0.23629%0.287CS..EExtended strand (participates in β ladder)trans-114.9150.6174.4-60.5-64.7-71.300110.1K69 F154 C162 I176 K177 N178K69-M180 HydrophobicContact CG-SD 3.88Å; F154-M180 HydrophobicContact CE1-CE 3.99Å; F154-M180 HydrophobicContact CE1-SD 4.06Å; F154-M180 HydrophobicContact CZ-SD 4.04Å; C162-M180 HydrophobicContact CB-CB 3.82Å; I176-M180 WeakPolarHBondContact CA-O 3.47Å; K177-M180 PolarHBondContact N-O 2.9Å; K177-M180 WeakPolarHBondContact O-CB 3.49Å; K177-M180 PolarHBondContact O-N 3.34Å; K177-M180 VanDerWaalsContact O-O 3.11Å; N178-M180 PolarHBondContact O-N 3.11Å
181P90.1Very high87.1Confident0 Ų055.4 Ų55.40%028%0.281CS..EExtended strand (participates in β ladder)trans-76.5141.3176.632.3-33.5000111.1L84 F159 K160 C161 C162 L168 Y174 T175L84-P181 HydrophobicContact CD1-CB 3.89Å; L84-P181 HydrophobicContact CD1-CG 4.26Å; F159-P181 HydrophobicContact CD1-CG 4.48Å; F159-P181 HydrophobicContact CD2-CG 4.03Å; F159-P181 HydrophobicContact CE1-CB 3.96Å; F159-P181 HydrophobicContact CE1-CG 4.19Å; F159-P181 HydrophobicContact CE2-CB 3.95Å; F159-P181 HydrophobicContact CE2-CG 3.75Å; F159-P181 HydrophobicContact CG-CG 4.38Å; F159-P181 HydrophobicContact CZ-CB 3.56Å; F159-P181 HydrophobicContact CZ-CG 3.84Å; K160-P181 WeakPolarHBondContact O-CG 3.44Å; C161-P181 CarbonylContact C-O 3.52Å; C161-P181 WeakPolarHBondContact CA-O 3.38Å; C162-P181 PolarHBondContact N-O 3.32Å; C162-P181 PolarHBondContact SG-O 2.84Å; L168-P181 HydrophobicContact CD1-CB 3.8Å; L168-P181 HydrophobicContact CD1-CG 4.28Å; Y174-P181 HydrophobicContact CD2-CB 3.8Å; Y174-P181 HydrophobicContact CE2-CB 4.29Å; T175-P181 CarbonylContact O-C 3.55Å; T175-P181 WeakPolarHBondContact O-CA 3.47Å
182L90.7Very high87.6Confident2 Ų258 Ų581%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-123.5132.4176.5175.971.6000107.5D163 Y174 T175 K177 D186D163-L182 HydrophobicContact CB-CD1 3.7Å; D163-L182 VanDerWaalsContact OD2-CD1 3.31Å; D163-L182 WeakPolarHBondContact OD2-CD1 3.32Å; Y174-L182 CarbonylContact C-O 3.5Å; Y174-L182 WeakPolarHBondContact CA-O 3.14Å; Y174-L182 WeakPolarHBondContact CB-O 3.49Å; T175-L182 HydrophobicContact CG2-CB 3.7Å; T175-L182 HydrophobicContact CG2-CD2 3.67Å; T175-L182 HydrophobicContact CG2-CG 3.91Å; T175-L182 PolarHBondContact N-O 2.82Å; T175-L182 PolarHBondContact O-N 3.5Å; K177-L182 HydrophobicContact CB-CB 4.22Å; K177-L182 HydrophobicContact CB-CD2 4.29Å; K177-L182 HydrophobicContact CD-CD1 4.4Å; K177-L182 HydrophobicContact CD-CD2 3.97Å; L182-D186 HydrophobicContact CD1-CB 3.64Å; L182-D186 HydrophobicContact CG-CB 4.36Å
183C91.2Very high87.6Confident1 Ų159.2 Ų59.21%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-72.7151.3179.984.90000111C161 L168 M185 D186 Y187C161-C183 HydrophobicContact CB-CB 4.04Å; C161-C183 PolarHBondContact SG-N 3.28Å; L168-C183 HydrophobicContact CD2-CB 3.66Å; C183-M185 PolarHBondContact O-N 3.44Å; C183-D186 PolarHBondContact O-N 3.31Å; C183-D186 PolarHBondContact SG-N 2.86Å; C183-D186 VanDerWaalsContact SG-N 3.4Å; C183-D186 PolarHBondContact SG-OD2 3.17Å; C183-Y187 PolarHBondContact O-N 3.46Å
184I88.7Confident87.5Confident33 Ų3357.7 Ų57.717%0.16928%0.281CS..Hα-helixtrans-58.7-31.5179.9-67-57.4000112.5E173 Y187 E188E173-I184 HydrophobicContact CB-CD1 4.35Å; E173-I184 HydrophobicContact CB-CG1 3.47Å; E173-I184 VanDerWaalsContact CB-CG1 3.47Å; I184-Y187 HydrophobicContact CD1-CD1 3.96Å; I184-Y187 PolarHBondContact O-N 3.25Å; I184-E188 HydrophobicContact CG2-CG 3.97Å; I184-E188 WeakPolarHBondContact O-CB 3.45Å; I184-E188 WeakPolarHBondContact O-CG 3.44Å; I184-E188 PolarHBondContact O-N 2.86Å
185M89.4Confident87.2Confident130 Ų13062.5 Ų62.564%0.6430%0.304SS*.Hα-helixtrans-64-46.1177.5-61171.462.100112.9C183 Y187 K189C183-M185 PolarHBondContact O-N 3.44Å; M185-Y187 VanDerWaalsContact C-N 3.28Å; M185-K189 WeakPolarHBondContact O-CB 3.44Å; M185-K189 PolarHBondContact O-N 2.92Å
186D92.7Very high87Confident31 Ų3165.5 Ų65.517%0.16633%0.325CS..Hα-helixtrans-70.9-29.7176.8-65-44.8000111.2C161 D163 C164 L182 C183 Y190C161-D186 PolarHBondContact SG-OD2 2.88Å; D163-D186 HydrophobicContact CB-CB 4.06Å; C164-D186 WeakPolarHBondContact CB-OD2 3.14Å; C164-D186 PolarHBondContact N-OD2 3.28Å; C164-D186 PolarHBondContact SG-OD2 2.91Å; L182-D186 HydrophobicContact CD1-CB 3.64Å; L182-D186 HydrophobicContact CG-CB 4.36Å; C183-D186 PolarHBondContact O-N 3.31Å; C183-D186 PolarHBondContact SG-N 2.86Å; C183-D186 VanDerWaalsContact SG-N 3.4Å; C183-D186 PolarHBondContact SG-OD2 3.17Å; D186-Y190 WeakPolarHBondContact O-CB 2.75Å; D186-Y190 PolarHBondContact O-N 2.69Å
187Y89.2Confident86.8Confident23 Ų2370.6 Ų70.69%0.0935%0.348CS..Hα-helixtrans-69.1-47173.7172.2-128.8000112.9F108 T175 C183 I184 M185 K189 Y190 L191F108-Y187 HydrophobicContact CD1-CD2 4.43Å; F108-Y187 HydrophobicContact CD1-CE1 4.08Å; F108-Y187 AromaticContact CD1-CE2 3.56Å; F108-Y187 HydrophobicContact CD1-CE2 3.56Å; F108-Y187 AromaticContact CD1-CZ 3.32Å; F108-Y187 WeakPolarHBondContact CD1-OH 3.19Å; F108-Y187 AromaticContact CE1-CD2 3.89Å; F108-Y187 HydrophobicContact CE1-CD2 3.89Å; F108-Y187 HydrophobicContact CE1-CE1 4.4Å; F108-Y187 AromaticContact CE1-CE2 3.04Å; F108-Y187 HydrophobicContact CE1-CE2 3.04Å; F108-Y187 AromaticContact CE1-CZ 3.34Å; F108-Y187 VanDerWaalsContact CE1-OH 3.32Å; F108-Y187 WeakPolarHBondContact CE1-OH 3.38Å; F108-Y187 HydrophobicContact CZ-CD2 4.04Å; F108-Y187 AromaticContact CZ-CE2 3.62Å; F108-Y187 HydrophobicContact CZ-CE2 3.62Å; T175-Y187 HydrophobicContact CG2-CD1 4.12Å; T175-Y187 HydrophobicContact CG2-CD2 4.19Å; T175-Y187 HydrophobicContact CG2-CG 3.7Å; C183-Y187 PolarHBondContact O-N 3.46Å; I184-Y187 HydrophobicContact CD1-CD1 3.96Å; I184-Y187 PolarHBondContact O-N 3.25Å; M185-Y187 VanDerWaalsContact C-N 3.28Å; Y187-K189 VanDerWaalsContact C-N 3.28Å; Y187-K189 PolarHBondContact O-N 3.01Å; Y187-Y190 HydrophobicContact CD2-CD1 4.35Å; Y187-Y190 WeakPolarHBondContact O-CB 3.07Å; Y187-Y190 PolarHBondContact O-N 3.24Å; Y187-Y190 VanDerWaalsContact O-N 3.12Å; Y187-L191 HydrophobicContact CD2-CG 4.25Å; Y187-L191 HydrophobicContact CE1-CD1 4.12Å; Y187-L191 HydrophobicContact CE2-CD1 3.96Å; Y187-L191 HydrophobicContact CE2-CD2 3.67Å; Y187-L191 HydrophobicContact CE2-CG 3.58Å; Y187-L191 PolarHBondContact O-N 3.21Å
188E88.8Confident86.4Confident113 Ų11373.6 Ų73.653%0.52836%0.363SS..Hα-helixtrans-59.2-41.7173.4-75.4-179.515800110.7I184 L191 L192I184-E188 HydrophobicContact CG2-CG 3.97Å; I184-E188 WeakPolarHBondContact O-CB 3.45Å; I184-E188 WeakPolarHBondContact O-CG 3.44Å; I184-E188 PolarHBondContact O-N 2.86Å; E188-L191 PolarHBondContact O-N 2.91Å; E188-L192 WeakPolarHBondContact O-CG 3.49Å; E188-L192 PolarHBondContact O-N 3.24Å
189K89.8Confident86.3Confident125 Ų12570.4 Ų70.454%0.54335%0.345SS..Hα-helixtrans-59-47.5171.6-175.5-173.7172.3-170.90111.9M185 Y187 L191 L192 D193M185-K189 WeakPolarHBondContact O-CB 3.44Å; M185-K189 PolarHBondContact O-N 2.92Å; Y187-K189 VanDerWaalsContact C-N 3.28Å; Y187-K189 PolarHBondContact O-N 3.01Å; K189-L191 VanDerWaalsContact C-N 3.29Å; K189-L191 PolarHBondContact O-N 3.49Å; K189-L192 PolarHBondContact O-N 2.7Å; K189-L192 VanDerWaalsContact O-N 3.14Å; K189-D193 WeakPolarHBondContact O-CB 3.21Å; K189-D193 PolarHBondContact O-N 3.04Å
190Y86.8Confident86Confident86 Ų8672.1 Ų72.134%0.33736%0.357SS..Hα-helixtrans-61.1-34.2177.4172.4-100.8000113.2D186 Y187 K194D186-Y190 WeakPolarHBondContact O-CB 2.75Å; D186-Y190 PolarHBondContact O-N 2.69Å; Y187-Y190 HydrophobicContact CD2-CD1 4.35Å; Y187-Y190 WeakPolarHBondContact O-CB 3.07Å; Y187-Y190 PolarHBondContact O-N 3.24Å; Y187-Y190 VanDerWaalsContact O-N 3.12Å; Y190-K194 HydrophobicContact CD1-CD 4.45Å; Y190-K194 HydrophobicContact CE1-CD 3.8Å; Y190-K194 WeakPolarHBondContact O-CB 3.48Å; Y190-K194 PolarHBondContact O-N 3.4Å; Y190-K194 WeakPolarHBondContact OH-CE 3.2Å; Y190-K194 PolarHBondContact OH-NZ 3.25Å
191L83.9Confident85.5Confident66 Ų6673.1 Ų73.135%0.34637%0.365SS..Hα-helixtrans-65.5-46.8171.3-70-179.1000111.8Y187 E188 K189 D193 K194 E195Y187-L191 HydrophobicContact CD2-CG 4.25Å; Y187-L191 HydrophobicContact CE1-CD1 4.12Å; Y187-L191 HydrophobicContact CE2-CD1 3.96Å; Y187-L191 HydrophobicContact CE2-CD2 3.67Å; Y187-L191 HydrophobicContact CE2-CG 3.58Å; Y187-L191 PolarHBondContact O-N 3.21Å; E188-L191 PolarHBondContact O-N 2.91Å; K189-L191 VanDerWaalsContact C-N 3.29Å; K189-L191 PolarHBondContact O-N 3.49Å; L191-D193 VanDerWaalsContact C-N 3.34Å; L191-D193 PolarHBondContact O-N 3.07Å; L191-K194 WeakPolarHBondContact O-CB 3.16Å; L191-K194 PolarHBondContact O-N 3.38Å; L191-K194 VanDerWaalsContact O-N 3.16Å; L191-E195 WeakPolarHBondContact O-CG 3.46Å; L191-E195 PolarHBondContact O-N 3.12Å
192L85.6Confident85.3Confident110 Ų11081.9 Ų81.958%0.57640%0.399SS*.Hα-helixtrans-63.9-38.2177.8-67.6168.8000112E188 K189 K194 E195 S196E188-L192 WeakPolarHBondContact O-CG 3.49Å; E188-L192 PolarHBondContact O-N 3.24Å; K189-L192 PolarHBondContact O-N 2.7Å; K189-L192 VanDerWaalsContact O-N 3.14Å; L192-K194 VanDerWaalsContact C-N 3.34Å; L192-E195 PolarHBondContact O-N 2.93Å; L192-S196 VanDerWaalsContact O-CB 3.31Å; L192-S196 WeakPolarHBondContact O-CB 3.42Å; L192-S196 PolarHBondContact O-N 3.46Å; L192-S196 PolarHBondContact O-OG 3.36Å
193D83.6Confident85Confident71 Ų7186 Ų8638%0.3842%0.42SS..Hα-helixtrans-64.6-38.1173.7-70.2-17000110.8K189 L191 S196 Q197K189-D193 WeakPolarHBondContact O-CB 3.21Å; K189-D193 PolarHBondContact O-N 3.04Å; L191-D193 VanDerWaalsContact C-N 3.34Å; L191-D193 PolarHBondContact O-N 3.07Å; D193-S196 WeakPolarHBondContact CA-OG 3.45Å; D193-S196 PolarHBondContact O-OG 2.75Å; D193-S196 VanDerWaalsContact O-OG 3.08Å; D193-Q197 WeakPolarHBondContact O-CB 2.99Å; D193-Q197 WeakPolarHBondContact O-CG 3.31Å; D193-Q197 PolarHBondContact O-N 3.38Å
194K80Confident84.7Confident84 Ų8492.3 Ų92.337%0.36545%0.449SS..Hα-helixtrans-67.8-44.9172.2-90.7-177.1156.9174.90113.3Y190 L191 L192 Q197 H198Y190-K194 HydrophobicContact CD1-CD 4.45Å; Y190-K194 HydrophobicContact CE1-CD 3.8Å; Y190-K194 WeakPolarHBondContact O-CB 3.48Å; Y190-K194 PolarHBondContact O-N 3.4Å; Y190-K194 WeakPolarHBondContact OH-CE 3.2Å; Y190-K194 PolarHBondContact OH-NZ 3.25Å; L191-K194 WeakPolarHBondContact O-CB 3.16Å; L191-K194 PolarHBondContact O-N 3.38Å; L191-K194 VanDerWaalsContact O-N 3.16Å; L192-K194 VanDerWaalsContact C-N 3.34Å; K194-Q197 PolarHBondContact O-N 3.17Å; K194-H198 PolarHBondContact O-CD2 3.14Å; K194-H198 VanDerWaalsContact O-CD2 3.24Å; K194-H198 PolarHBondContact O-N 2.92Å
195E81.1Confident84.5Confident121 Ų12195.6 Ų95.657%0.56546%0.464SS*.Hα-helixtrans-64.8-44.2179.1-74.5-176.6171.300111.2L191 L192 H198 I199L191-E195 WeakPolarHBondContact O-CG 3.46Å; L191-E195 PolarHBondContact O-N 3.12Å; L192-E195 PolarHBondContact O-N 2.93Å; E195-H198 PolarHBondContact O-N 2.82Å; E195-I199 VanDerWaalsContact O-CG1 3.3Å; E195-I199 WeakPolarHBondContact O-CG1 3.48Å; E195-I199 PolarHBondContact O-N 2.87Å
196S81.3Confident84.3Confident62 Ų6291.2 Ų91.243%0.43445%0.446SS..Hα-helixtrans-65.3-36.5175.458.70000112.7L192 D193 I199 C200L192-S196 VanDerWaalsContact O-CB 3.31Å; L192-S196 WeakPolarHBondContact O-CB 3.42Å; L192-S196 PolarHBondContact O-N 3.46Å; L192-S196 PolarHBondContact O-OG 3.36Å; D193-S196 WeakPolarHBondContact CA-OG 3.45Å; D193-S196 PolarHBondContact O-OG 2.75Å; D193-S196 VanDerWaalsContact O-OG 3.08Å; S196-I199 PolarHBondContact O-N 2.78Å; S196-C200 VanDerWaalsContact O-CB 3.29Å; S196-C200 WeakPolarHBondContact O-CB 3.45Å; S196-C200 PolarHBondContact O-N 2.88Å
197Q80.1Confident84Confident125 Ų12596 Ų9658%0.58447%0.466SS*.Hα-helixtrans-61.7-46.7169.1-77.2168.324.700111.8D193 K194 I199 C200 T201D193-Q197 WeakPolarHBondContact O-CB 2.99Å; D193-Q197 WeakPolarHBondContact O-CG 3.31Å; D193-Q197 PolarHBondContact O-N 3.38Å; K194-Q197 PolarHBondContact O-N 3.17Å; Q197-I199 VanDerWaalsContact C-N 3.31Å; Q197-I199 PolarHBondContact O-N 3.4Å; Q197-C200 PolarHBondContact O-N 3.3Å; Q197-T201 WeakPolarHBondContact O-CB 3.41Å; Q197-T201 PolarHBondContact O-N 3.01Å; Q197-T201 PolarHBondContact O-OG1 2.86Å; Q197-T201 VanDerWaalsContact O-OG1 3.04Å
198H78.5Confident83.8Confident128 Ų128103.4 Ų103.459%0.59349%0.493SS*.Hα-helixtrans-61.3-37.5176-84.7-67.3000112.9K194 E195 R202K194-H198 PolarHBondContact O-CD2 3.14Å; K194-H198 VanDerWaalsContact O-CD2 3.24Å; K194-H198 PolarHBondContact O-N 2.92Å; E195-H198 PolarHBondContact O-N 2.82Å; H198-R202 WeakPolarHBondContact O-CB 3.37Å; H198-R202 WeakPolarHBondContact O-CG 3.42Å; H198-R202 PolarHBondContact O-N 2.82Å; H198-R202 VanDerWaalsContact O-N 3.07Å
199I82.8Confident83.5Confident82 Ų82102 Ų10242%0.42149%0.487SS..Hα-helixtrans-67.3-46.3174.2-66.7164.2000110.3E195 S196 Q197 T201 R202 L203 L263E195-I199 VanDerWaalsContact O-CG1 3.3Å; E195-I199 WeakPolarHBondContact O-CG1 3.48Å; E195-I199 PolarHBondContact O-N 2.87Å; S196-I199 PolarHBondContact O-N 2.78Å; Q197-I199 VanDerWaalsContact C-N 3.31Å; Q197-I199 PolarHBondContact O-N 3.4Å; I199-T201 PolarHBondContact O-N 3.03Å; I199-R202 PolarHBondContact O-N 3.43Å; I199-L203 HydrophobicContact CG2-CD1 3.84Å; I199-L203 HydrophobicContact CG2-CG 4.32Å; I199-L203 WeakPolarHBondContact O-CB 3.34Å; I199-L203 VanDerWaalsContact O-CG 3.32Å; I199-L203 WeakPolarHBondContact O-CG 3.36Å; I199-L203 PolarHBondContact O-N 3.41Å; I199-L263 HydrophobicContact CG2-CD1 4.25Å
200C80.3Confident83.1Confident74 Ų7498.7 Ų98.750%0.548%0.479SS..Hα-helixtrans-60.9-45.9178.5-171.30000111.9S196 Q197 L203 Q204S196-C200 VanDerWaalsContact O-CB 3.29Å; S196-C200 WeakPolarHBondContact O-CB 3.45Å; S196-C200 PolarHBondContact O-N 2.88Å; Q197-C200 PolarHBondContact O-N 3.3Å; C200-L203 PolarHBondContact O-N 3.18Å; C200-Q204 WeakPolarHBondContact O-CB 3.47Å; C200-Q204 PolarHBondContact O-N 2.86Å
201T81.4Confident82.7Confident68 Ų6898.5 Ų98.542%0.41748%0.484SS..Hα-helixtrans-60.2-47.2175.7-60.10000111.1Q197 I199 L203 Q204 E205Q197-T201 WeakPolarHBondContact O-CB 3.41Å; Q197-T201 PolarHBondContact O-N 3.01Å; Q197-T201 PolarHBondContact O-OG1 2.86Å; Q197-T201 VanDerWaalsContact O-OG1 3.04Å; I199-T201 PolarHBondContact O-N 3.03Å; T201-L203 PolarHBondContact O-N 3.11Å; T201-Q204 PolarHBondContact O-N 3.4Å; T201-E205 HydrophobicContact CG2-CG 4.45Å; T201-E205 WeakPolarHBondContact O-CB 3.25Å; T201-E205 VanDerWaalsContact O-CG 3.28Å; T201-E205 WeakPolarHBondContact O-CG 3.25Å; T201-E205 PolarHBondContact O-N 3.12Å
202R85.8Confident82.2Confident185 Ų185101.1 Ų101.170%0.69849%0.494SS*.Hα-helixtrans-62.9-38.8176.8-79.8178.7166.6-176.8-3.3113.2H198 I199 S206H198-R202 WeakPolarHBondContact O-CB 3.37Å; H198-R202 WeakPolarHBondContact O-CG 3.42Å; H198-R202 PolarHBondContact O-N 2.82Å; H198-R202 VanDerWaalsContact O-N 3.07Å; I199-R202 PolarHBondContact O-N 3.43Å; R202-S206 WeakPolarHBondContact O-CB 3.42Å; R202-S206 PolarHBondContact O-N 3.03Å; R202-S206 PolarHBondContact O-OG 3.03Å
203L84.6Confident81.6Confident87 Ų87102.4 Ų102.446%0.45550%0.496SS..Hα-helixtrans-65.4-45.1174.7-73.8171.7000110.9I199 C200 T201 E205 S206 F207 L263I199-L203 HydrophobicContact CG2-CD1 3.84Å; I199-L203 HydrophobicContact CG2-CG 4.32Å; I199-L203 WeakPolarHBondContact O-CB 3.34Å; I199-L203 VanDerWaalsContact O-CG 3.32Å; I199-L203 WeakPolarHBondContact O-CG 3.36Å; I199-L203 PolarHBondContact O-N 3.41Å; C200-L203 PolarHBondContact O-N 3.18Å; T201-L203 PolarHBondContact O-N 3.11Å; L203-E205 VanDerWaalsContact C-N 3.35Å; L203-E205 PolarHBondContact O-N 3.5Å; L203-S206 WeakPolarHBondContact CA-OG 3.46Å; L203-S206 PolarHBondContact O-N 3.05Å; L203-S206 PolarHBondContact O-OG 3.49Å; L203-F207 WeakPolarHBondContact O-CB 3.16Å; L203-F207 PolarHBondContact O-N 3.41Å; L203-L263 HydrophobicContact CD1-CD1 3.94Å; L203-L263 HydrophobicContact CD2-CD1 4.01Å; L203-L263 HydrophobicContact CG-CD1 4.38Å
204Q83.8Confident80.8Confident135 Ų135104.3 Ų104.363%0.63150%0.502SS*.Hα-helixtrans-64.2-38177-170.71750.800112.4C200 T201 R208C200-Q204 WeakPolarHBondContact O-CB 3.47Å; C200-Q204 PolarHBondContact O-N 2.86Å; T201-Q204 PolarHBondContact O-N 3.4Å; Q204-R208 WeakPolarHBondContact O-CB 3.39Å; Q204-R208 PolarHBondContact O-N 3.17Å
205E85.2Confident80.4Confident102 Ų102107.3 Ų107.348%0.47752%0.515SS..Hα-helixtrans-62.8-46.3171.5-75.3169.617200111.7T201 L203 R208 Q209T201-E205 HydrophobicContact CG2-CG 4.45Å; T201-E205 WeakPolarHBondContact O-CB 3.25Å; T201-E205 VanDerWaalsContact O-CG 3.28Å; T201-E205 WeakPolarHBondContact O-CG 3.25Å; T201-E205 PolarHBondContact O-N 3.12Å; L203-E205 VanDerWaalsContact C-N 3.35Å; L203-E205 PolarHBondContact O-N 3.5Å; E205-R208 PolarHBondContact O-N 3.33Å; E205-Q209 VanDerWaalsContact O-CG 3.32Å; E205-Q209 WeakPolarHBondContact O-CG 3.42Å; E205-Q209 PolarHBondContact O-N 3.32Å
206S84.8Confident79.3Confident37 Ų37105.6 Ų105.626%0.25952%0.516SS..Hα-helixtrans-62.7-42.8176.670.30000112.3R202 L203 R208 Q209 S210R202-S206 WeakPolarHBondContact O-CB 3.42Å; R202-S206 PolarHBondContact O-N 3.03Å; R202-S206 PolarHBondContact O-OG 3.03Å; L203-S206 WeakPolarHBondContact CA-OG 3.46Å; L203-S206 PolarHBondContact O-N 3.05Å; L203-S206 PolarHBondContact O-OG 3.49Å; S206-R208 VanDerWaalsContact C-N 3.35Å; S206-R208 PolarHBondContact O-N 3.01Å; S206-Q209 WeakPolarHBondContact O-CB 3.32Å; S206-Q209 PolarHBondContact O-N 2.95Å; S206-S210 PolarHBondContact O-N 3.27Å; S206-S210 PolarHBondContact O-OG 2.9Å
207F86.3Confident78.3Confident132 Ų132105.2 Ų105.258%0.57951%0.51SS*.Hα-helixtrans-64.6-39.2177.5-174.1-107.9000112L203 Q209 S210 L211L203-F207 WeakPolarHBondContact O-CB 3.16Å; L203-F207 PolarHBondContact O-N 3.41Å; F207-Q209 VanDerWaalsContact C-N 3.33Å; F207-Q209 PolarHBondContact O-N 3.22Å; F207-S210 PolarHBondContact O-N 3.35Å; F207-L211 HydrophobicContact CD1-CD1 3.93Å; F207-L211 HydrophobicContact CE1-CD1 3.51Å; F207-L211 HydrophobicContact CE1-CG 4.21Å; F207-L211 HydrophobicContact CZ-CD1 4Å; F207-L211 HydrophobicContact CZ-CD2 4.49Å; F207-L211 HydrophobicContact CZ-CG 4.29Å; F207-L211 WeakPolarHBondContact O-CG 3.45Å; F207-L211 PolarHBondContact O-N 3.36Å
208R85.2Confident77.2Confident178 Ų178104.9 Ų104.967%0.67251%0.509SS*.Hα-helixtrans-63.1-38.3173.6-170.8179.4-175.3-175.32.1112.1Q204 E205 S206 Q212Q204-R208 WeakPolarHBondContact O-CB 3.39Å; Q204-R208 PolarHBondContact O-N 3.17Å; E205-R208 PolarHBondContact O-N 3.33Å; S206-R208 VanDerWaalsContact C-N 3.35Å; S206-R208 PolarHBondContact O-N 3.01Å; R208-Q212 WeakPolarHBondContact O-CG 3.43Å; R208-Q212 PolarHBondContact O-N 3.01Å; R208-Q212 VanDerWaalsContact O-N 3.16Å
209Q82.7Confident75.9Confident84 Ų84104.3 Ų104.339%0.39351%0.51SS..Hα-helixtrans-68.8-41175.3-69.7168.536.800111.7E205 S206 F207 Q212 F213E205-Q209 VanDerWaalsContact O-CG 3.32Å; E205-Q209 WeakPolarHBondContact O-CG 3.42Å; E205-Q209 PolarHBondContact O-N 3.32Å; S206-Q209 WeakPolarHBondContact O-CB 3.32Å; S206-Q209 PolarHBondContact O-N 2.95Å; F207-Q209 VanDerWaalsContact C-N 3.33Å; F207-Q209 PolarHBondContact O-N 3.22Å; Q209-Q212 PolarHBondContact O-N 3.29Å; Q209-F213 PolarHBondContact O-N 3.28Å
210S81.7Confident74.7Confident55 Ų55105.4 Ų105.439%0.38552%0.52SS..Hα-helixtrans-60.9-45.3174.6-61.30000112.5S206 F207 Q212 F213 E214S206-S210 PolarHBondContact O-N 3.27Å; S206-S210 PolarHBondContact O-OG 2.9Å; F207-S210 PolarHBondContact O-N 3.35Å; S210-Q212 VanDerWaalsContact C-N 3.31Å; S210-Q212 PolarHBondContact O-N 2.77Å; S210-F213 WeakPolarHBondContact O-CB 3.45Å; S210-F213 PolarHBondContact O-N 2.81Å; S210-F213 VanDerWaalsContact O-N 3.11Å; S210-E214 PolarHBondContact O-N 3.05Å
211L78.2Confident73.4Confident82 Ų82108.2 Ų108.243%0.42953%0.531SS..Hα-helixtrans-64.2-33.4176.2-73.6173.9000113.1F207 K215F207-L211 HydrophobicContact CD1-CD1 3.93Å; F207-L211 HydrophobicContact CE1-CD1 3.51Å; F207-L211 HydrophobicContact CE1-CG 4.21Å; F207-L211 HydrophobicContact CZ-CD1 4Å; F207-L211 HydrophobicContact CZ-CD2 4.49Å; F207-L211 HydrophobicContact CZ-CG 4.29Å; F207-L211 WeakPolarHBondContact O-CG 3.45Å; F207-L211 PolarHBondContact O-N 3.36Å; L211-K215 WeakPolarHBondContact O-CB 3.43Å; L211-K215 PolarHBondContact O-N 2.98Å
212Q73.9Confident71.9Confident122 Ų122111.8 Ų111.857%0.5755%0.547SS*.Hα-helixtrans-68.7-35.7172.9-76.3175.9-36.700111.8R208 Q209 S210 C216R208-Q212 WeakPolarHBondContact O-CG 3.43Å; R208-Q212 PolarHBondContact O-N 3.01Å; R208-Q212 VanDerWaalsContact O-N 3.16Å; Q209-Q212 PolarHBondContact O-N 3.29Å; S210-Q212 VanDerWaalsContact C-N 3.31Å; S210-Q212 PolarHBondContact O-N 2.77Å; Q212-C216 WeakPolarHBondContact O-CB 3.1Å; Q212-C216 PolarHBondContact O-N 3.44Å
213F71.6Confident70.2Confident137 Ų137109 Ų10960%0.60155%0.546SS*.Hα-helixtrans-68.7-48.6174.9-171.8-96.2000111.9Q209 S210 K215 C216 T217Q209-F213 PolarHBondContact O-N 3.28Å; S210-F213 WeakPolarHBondContact O-CB 3.45Å; S210-F213 PolarHBondContact O-N 2.81Å; S210-F213 VanDerWaalsContact O-N 3.11Å; F213-K215 VanDerWaalsContact C-N 3.32Å; F213-K215 PolarHBondContact O-N 2.99Å; F213-C216 WeakPolarHBondContact O-CB 3.28Å; F213-C216 PolarHBondContact O-N 3.24Å; F213-C216 VanDerWaalsContact O-N 3.1Å; F213-T217 HydrophobicContact CD1-CG2 4.02Å; F213-T217 HydrophobicContact CE1-CG2 3.58Å; F213-T217 HydrophobicContact CE2-CG2 4.47Å; F213-T217 HydrophobicContact CZ-CG2 3.84Å; F213-T217 PolarHBondContact O-N 3.16Å; F213-T217 PolarHBondContact O-OG1 2.93Å
214E67.8Low68Low110 Ų110115.7 Ų115.751%0.51457%0.567SS.*Hα-helixtrans-54.2-49176.4-81.5-172.7148.400111.2S210 C216 T217 Q218S210-E214 PolarHBondContact O-N 3.05Å; E214-C216 VanDerWaalsContact C-N 3.31Å; E214-C216 PolarHBondContact O-N 3.27Å; E214-T217 WeakPolarHBondContact CA-OG1 3.36Å; E214-T217 CarbonylContact O-C 3.57Å; E214-T217 PolarHBondContact O-N 3.1Å; E214-T217 PolarHBondContact O-OG1 3.18Å; E214-Q218 PolarHBondContact O-N 2.91Å; E214-Q218 PolarHBondContact O-OE1 2.99Å
215K70.3Confident65.9Low148 Ų148114.7 Ų114.764%0.64357%0.572SS**Hα-helixtrans-57.7-43.7177.7-168.9169.9-175.4177.80112.4L211 F213 T217 Q218 D219L211-K215 WeakPolarHBondContact O-CB 3.43Å; L211-K215 PolarHBondContact O-N 2.98Å; F213-K215 VanDerWaalsContact C-N 3.32Å; F213-K215 PolarHBondContact O-N 2.99Å; K215-T217 VanDerWaalsContact C-N 3.3Å; K215-T217 PolarHBondContact O-N 2.86Å; K215-Q218 PolarHBondContact O-N 2.8Å; K215-D219 PolarHBondContact O-N 3.34Å
216C59.8Low63.6Low85 Ų85115.9 Ų115.957%0.57459%0.587SS**Hα-helixtrans-66.3-29.5176.8-151.90000112.7Q212 F213 E214 V220Q212-C216 WeakPolarHBondContact O-CB 3.1Å; Q212-C216 PolarHBondContact O-N 3.44Å; F213-C216 WeakPolarHBondContact O-CB 3.28Å; F213-C216 PolarHBondContact O-N 3.24Å; F213-C216 VanDerWaalsContact O-N 3.1Å; E214-C216 VanDerWaalsContact C-N 3.31Å; E214-C216 PolarHBondContact O-N 3.27Å; C216-V220 WeakPolarHBondContact O-CG2 3.36Å
217T59.7Low61.4Low53 Ų53121.7 Ų121.733%0.32562%0.615SS.*Hα-helixtrans-82.4-29.7174.455.80000114F213 E214 K215 V220 N221F213-T217 HydrophobicContact CD1-CG2 4.02Å; F213-T217 HydrophobicContact CE1-CG2 3.58Å; F213-T217 HydrophobicContact CE2-CG2 4.47Å; F213-T217 HydrophobicContact CZ-CG2 3.84Å; F213-T217 PolarHBondContact O-N 3.16Å; F213-T217 PolarHBondContact O-OG1 2.93Å; E214-T217 WeakPolarHBondContact CA-OG1 3.36Å; E214-T217 CarbonylContact O-C 3.57Å; E214-T217 PolarHBondContact O-N 3.1Å; E214-T217 PolarHBondContact O-OG1 3.18Å; K215-T217 VanDerWaalsContact C-N 3.3Å; K215-T217 PolarHBondContact O-N 2.86Å; T217-V220 PolarHBondContact O-N 3.27Å; T217-N221 PolarHBondContact O-N 3.26Å
218Q55.8Low59.1Low119 Ų119120.4 Ų120.456%0.55662%0.618SS**Hα-helixtrans-62.9-47.3174-129.890.324.400110.1E214 K215 V220 N221 D222E214-Q218 PolarHBondContact O-N 2.91Å; E214-Q218 PolarHBondContact O-OE1 2.99Å; K215-Q218 PolarHBondContact O-N 2.8Å; Q218-V220 PolarHBondContact O-N 2.88Å; Q218-N221 PolarHBondContact O-N 2.78Å; Q218-D222 PolarHBondContact O-N 2.9Å
219D52.7Low56.9Low115 Ų115118.3 Ų118.362%0.61562%0.62SS**Hα-helixtrans-60.5-15178.5-66.4-24.1000113.2K215K215-D219 PolarHBondContact O-N 3.34Å
220V56.6Low54.8Low105 Ų105120.2 Ų120.264%0.63663%0.633SS**Hα-helixtrans-95.4-29.5176.5175.50000112.9C216 T217 Q218C216-V220 WeakPolarHBondContact O-CG2 3.36Å; T217-V220 PolarHBondContact O-N 3.27Å; Q218-V220 PolarHBondContact O-N 2.88Å
221N52.3Low53Low133 Ų133124.9 Ų124.971%0.71165%0.649SS**Hα-helixtrans-90.9-11.9-172.4-92.8-8.9000115.3T217 Q218 N223T217-N221 PolarHBondContact O-N 3.26Å; Q218-N221 PolarHBondContact O-N 2.78Å; N221-N223 PolarHBondContact O-N 3.43Å; N221-N223 VanDerWaalsContact O-N 3.09Å
222D50.8Low51.3Low143 Ų143127.5 Ų127.577%0.76566%0.663SS**THydrogen-bonded Turntrans-74.69.9176.3-78.4-20.1000113.8Q218Q218-D222 PolarHBondContact O-N 2.9Å
223N50.4Low49.7Very low128 Ų128128.7 Ų128.768%0.68467%0.673SS**SBendtrans-110.1115171.6-78.2-76.7000112.1N221N221-N223 PolarHBondContact O-N 3.43Å; N221-N223 VanDerWaalsContact O-N 3.09Å
224Y37.4Very low48.5Very low226 Ų226133 Ų13389%0.88669%0.685SS**  trans88.3118.2168.5-104.5-94.6000119.8
225P40.1Very low47.4Very low114 Ų114135 Ų13574%0.7470%0.697SS**  trans-93.1146.3-176.235.9-35000115.6
226T37.7Very low45.7Very low127 Ų127134.8 Ų134.878%0.77970%0.703SS**  trans-12.6139.2162.850.20000120.3
227N37.8Very low44.5Very low159 Ų159138 Ų13885%0.8571%0.71SS**  -148.6132.1123.1-138.6-10000113.6
228T39.5Very low43.6Very low106 Ų106143.7 Ų143.765%0.6573%0.732SS**  trans-85.5167.9174.553.30000109.9
229N37Very low42.9Very low134 Ų134145.4 Ų145.472%0.71774%0.74SS**  cis-171.3176.324.3-129-3.2000109.2
230N39.8Very low42.1Very low123 Ų123149 Ų14966%0.65875%0.753SS**  trans70.9147163-63.420.6000118
231E43.4Very low41.3Very low154 Ų154154 Ų15472%0.7276%0.761SS**  cis-156.9140-12.5-117.5167-159.300109.2
232D41.9Very low40.5Very low136 Ų136157.1 Ų157.173%0.72776%0.764SS**  trans32.8148.1148.9-62.9-9.8000125.3
233N42.2Very low39.9Very low147 Ų147155 Ų15579%0.78676%0.76SS**  trans68.3102.2153.1-62.9-48.3000118.6
234R46.2Very low38.9Very low227 Ų227156.3 Ų156.386%0.85777%0.767SS**  177.9142.599.2-105.6176.6140.9-157.6-5.6115.6
235M43.5Very low39Very low152 Ų152155 Ų15575%0.74977%0.77SS**  trans67.4123.9149.3-59.1-57.9-70.700119.4
236N35.7Very low38.8Very low145 Ų145158.4 Ų158.478%0.77578%0.775SS**  trans-67.1177.4162.4-162.312.4000111.2
237E34.8Very low38.8Very low153 Ų153157.2 Ų157.272%0.71577%0.772SS**  trans7591.5170.8-51.6179.9149.900117.4
238Q40.3Very low38.8Very low172 Ų172156 Ų15680%0.80477%0.765SS**  -161.3124.9118.2-110145.888.200114.6
239Q39.8Very low38.7Very low154 Ų154157.5 Ų157.572%0.7277%0.77SS**  trans66.194.8141.9-71.3164-8.500119.1R241Q239-R241 PolarHBondContact O-N 2.94Å
240E35.9Very low39Very low191 Ų191156.9 Ų156.989%0.89377%0.771SS**  -29.8122.2121-54171.614800111.5
241R41.6Very low38.8Very low209 Ų209157.8 Ų157.879%0.78978%0.776SS**  trans-163.7114.5140.5-79.5-140.9-172.1-156.81.6112.6Q239Q239-R241 PolarHBondContact O-N 2.94Å
242Y35Very low38.5Very low200 Ų200156.7 Ų156.778%0.78478%0.779SS**  trans59.2122.2133.3-72.7-84.1000122.6
243S37Very low38.1Very low98 Ų98157.3 Ų157.369%0.68578%0.783SS**  trans84105.8131.4-59.30000120.5
244N29.7Very low37.4Very low155 Ų155155.1 Ų155.183%0.82978%0.778SS**  11.4132.6124.6-52.70.8000118.3
245E40.8Very low36.9Very low200 Ų200154.5 Ų154.594%0.93578%0.781SS**  -149.4138129.8-116.3164.5-149.600110
246E35.6Very low36.5Very low185 Ų185156.3 Ų156.386%0.86479%0.788SS**  trans-87.2155.5-178.1-63.3165.3112.100111.3
247S38.1Very low36.5Very low101 Ų101153.8 Ų153.871%0.70678%0.782SS**  157.2157.7123.553.50000114.4
248N38Very low36.6Very low133 Ų133152.3 Ų152.371%0.71178%0.779SS**  trans87.774164.3-44.9-52.1000117.9
249D36.9Very low36.6Very low138 Ų138154.7 Ų154.774%0.73878%0.78SS**  56.3141.5110.9-67-28.5000123.6
250T43.5Very low36.4Very low122 Ų122153.1 Ų153.175%0.74878%0.776SS**  trans59.9119.215652.10000117.3
251D34.2Very low36.4Very low141 Ų141151.5 Ų151.575%0.75477%0.771SS**  cis-166.215122.7-105.4-32.2000112
252V37.4Very low36.2Very low131 Ų131147.4 Ų147.479%0.79477%0.769SS**  trans17110.7149.7-160.70000118.8
253N33.9Very low36.2Very low149 Ų149143 Ų14380%0.79776%0.758SS**  176.1137.8110.7-1624.7000113.1
254C28Very low36.2Very low102 Ų102144.9 Ų144.969%0.68976%0.756SS**  trans48.885.1158.6-158.40000119.9
255K35.6Very low36.4Very low214 Ų214145 Ų14593%0.9376%0.755SS**  trans-141.450.1160-79.2-167.4178.3173.20114.1
256E35.5Very low36.3Very low190 Ų190142.8 Ų142.889%0.88874%0.743SS**SBendtrans-147.643.2171.8-147166.9-159.900115.3
257S35.4Very low36.2Very low92 Ų92138.1 Ų138.164%0.64373%0.73SS**  trans-144.670.2172.6-73.70000111.3
258N36.7Very low36.2Very low121 Ų121139.4 Ų139.465%0.64773%0.729SS**  trans-161.146.3167.9-110.8-32.4000114.3L260N258-L260 PolarHBondContact O-N 2.82Å
259R40Very low36.3Very low222 Ų222140.9 Ų140.984%0.83874%0.736SS**  trans-92.973.2169.3-135.7177.1-175.7178.61.4110.6M261R259-M261 PolarHBondContact O-N 3.39Å
260L35.2Very low36.1Very low121 Ų121137.5 Ų137.563%0.63473%0.733SS**  trans-51.8121.6164.2-95.3154.6000109.4N258N258-L260 PolarHBondContact O-N 2.82Å
261M35.6Very low35.7Very low158 Ų158137.6 Ų137.678%0.77873%0.729SS**  trans-122.3111167.8-79.4-79.1-164.800107.3R259R259-M261 PolarHBondContact O-N 3.39Å
262T38.5Very low35.6Very low123 Ų123140 Ų14076%0.75573%0.729SS**  trans-59.3136.8-171.1-470000113E264T262-E264 PolarHBondContact O-N 2.81Å; T262-E264 VanDerWaalsContact O-N 3.08Å
263L34.9Very low35.4Very low106 Ų106140.4 Ų140.456%0.55573%0.726SS**  trans-69.195.7163-79.8156.3000109.5I199 L203 I265I199-L263 HydrophobicContact CG2-CD1 4.25Å; L203-L263 HydrophobicContact CD1-CD1 3.94Å; L203-L263 HydrophobicContact CD2-CD1 4.01Å; L203-L263 HydrophobicContact CG-CD1 4.38Å; L263-I265 PolarHBondContact O-N 2.94Å; L263-I265 VanDerWaalsContact O-N 3.09Å
264E36Very low35.5Very low139 Ų139142 Ų14265%0.6573%0.726SS**  trans-76.489.5164.5-71.2-145.4134.800110.3T262 K266T262-E264 PolarHBondContact O-N 2.81Å; T262-E264 VanDerWaalsContact O-N 3.08Å; E264-K266 PolarHBondContact O-N 2.72Å; E264-K266 IonicContact OE1-NZ 3.05Å; E264-K266 PolarHBondContact OE1-NZ 3.33Å; E264-K266 IonicContact OE2-NZ 2.73Å; E264-K266 PolarHBondContact OE2-NZ 3.36Å
265I34.3Very low35.8Very low157 Ų157142 Ų14281%0.80573%0.728SS**  trans-7795.4159.5-59.1174.4000107L263L263-I265 PolarHBondContact O-N 2.94Å; L263-I265 VanDerWaalsContact O-N 3.09Å
266K39.1Very low35.7Very low154 Ų154138.8 Ų138.867%0.6773%0.726SS**  trans-110108.6166.9-84169.3-176.7153.70109.7E264E264-K266 PolarHBondContact O-N 2.72Å; E264-K266 IonicContact OE1-NZ 3.05Å; E264-K266 PolarHBondContact OE1-NZ 3.33Å; E264-K266 IonicContact OE2-NZ 2.73Å; E264-K266 PolarHBondContact OE2-NZ 3.36Å
267S34.3Very low35.4Very low87 Ų87135.1 Ų135.161%0.60872%0.721SS**  trans-65.6176.6156.349.20000110.6
268D36.9Very low35.5Very low127 Ų127136.5 Ų136.568%0.67973%0.731SS**  trans83.680.7160.2-46.1-46.3000117.6
269I40.3Very low35.1Very low165 Ų165136.1 Ų136.185%0.84673%0.733SS**  44.9104.8113.3-55163000116.4
270G33.3Very low35.1Very low66 Ų66133.6 Ų133.668%0.6873%0.734SS**  trans111.5134.5133.200000118.7
271N34.7Very low34.8Very low124 Ų124134.2 Ų134.266%0.66374%0.739SS**  trans7795.3147.5-646.9000121.3
272Y32.2Very low34.8Very low193 Ų193132.9 Ų132.976%0.75774%0.739SS**  73.6120.3121.2-46.8-43.3000121.9
273D33.9Very low34.6Very low139 Ų139131.3 Ų131.374%0.74373%0.733SS**  trans80.386.9136.8-64.5-33.1000123.3
274K35.6Very low34.7Very low181 Ų181133.8 Ų133.879%0.78775%0.747SS**  67.8128.2102.8-157.6-175.7-169.9179.70120.4
275S33.7Very low34.9Very low104 Ų104135.1 Ų135.173%0.72776%0.757SS**  trans84.3125.6167.4-28.90000113.4
276T32.9Very low34.8Very low146 Ų146134.5 Ų134.590%0.89676%0.756SS**  cis-150.5172.349.140.80000113.1
277S30Very low34.6Very low113 Ų113135.4 Ų135.479%0.7977%0.767SS**  trans-119.8137.4-174.3173.80000111.2
278S36.4Very low34.8Very low121 Ų121135.6 Ų135.685%0.84677%0.769SS**  trans-149.5114.2162.156.10000111.9
279T29.9Very low34.9Very low112 Ų112136.2 Ų136.269%0.68778%0.777SS**  trans-67.2146178.1-250000112.9
280I38.6Very low34.8Very low169 Ų169134.9 Ų134.987%0.86777%0.771SS**  trans-139.2127.1146.4-61-173.7000108.6
281D29Very low34.9Very low135 Ų135138.5 Ų138.572%0.72277%0.774SS**  trans-85.4156.3176.3-75.5-71000112.8
282T36.2Very low35.1Very low129 Ų129137 Ų13779%0.79177%0.773SS**  trans176.7103.8141.221.20000106.9
283S34.1Very low35Very low90 Ų90135.1 Ų135.163%0.62978%0.776SS**  82.813972.3720000113.9
284L38.1Very low35.3Very low159 Ų159135.6 Ų135.683%0.83278%0.777SS**  trans74.2131.4177.4-39.9179.5000112.8
285L38.4Very low35Very low166 Ų166133.9 Ų133.987%0.86978%0.776SS**  cis-128.2158.219.9-73.7161.9000113.5
286N33.2Very low35.1Very low145 Ų145135.6 Ų135.678%0.77578%0.776SS**  trans-74.3155172.2-60.4-40.7000110.9
287D35.8Very low35.1Very low172 Ų172133.2 Ų133.292%0.9277%0.766SS**  -145.3139.4117.3-118.9-28.1000111.5
288S36.6Very low35.1Very low91 Ų91132.4 Ų132.464%0.63677%0.766SS**  trans-125.3116.3-160.5-113.60000112.3
289V40.4Very low35.3Very low140 Ų140131.8 Ų131.885%0.84876%0.759SS**  trans-136.390.2158.3-171.80000105.5
290L37.5Very low35.3Very low137 Ų137134.3 Ų134.372%0.71777%0.768SS**  51.7126.893.1-57.8177.8000112
291L35Very low35.3Very low142 Ų142131.1 Ų131.174%0.74376%0.761SS**  cis-155.3144.826.7-156.875.2000113.7
292S38.6Very low36.1Very low93 Ų93129.5 Ų129.565%0.6576%0.76SS**  trans55.1118.3149.558.80000122
293D31.9Very low36.2Very low154 Ų154130.8 Ų130.882%0.82476%0.762SS**  trans-46.6145157.7-55.4-87.4000115.4
294I39.5Very low36.6Very low149 Ų149134.4 Ų134.476%0.76477%0.774SS**  trans-119.392149.4-62.8-178.2000107.8I296I294-I296 HydrophobicContact CG2-CB 4.45Å; I294-I296 HydrophobicContact CG2-CD1 3.52Å; I294-I296 HydrophobicContact CG2-CG1 3.65Å; I294-I296 PolarHBondContact O-N 3.28Å
295N29.7Very low36.8Very low144 Ų144131.5 Ų131.577%0.7777%0.768SS**  trans-84.598168.8-175.722.8000108.6
296I35.2Very low37.5Very low140 Ų140128.5 Ų128.572%0.71876%0.76SS**  trans-120.5103.9172.6-66.5176.1000109.6I294I294-I296 HydrophobicContact CG2-CB 4.45Å; I294-I296 HydrophobicContact CG2-CD1 3.52Å; I294-I296 HydrophobicContact CG2-CG1 3.65Å; I294-I296 PolarHBondContact O-N 3.28Å
297S32.7Very low38.4Very low97 Ų97130.2 Ų130.268%0.67876%0.761SS**PPolyproline II helixtrans-54.3146.3162.3-58.50000111.1
298A30.5Very low39.1Very low96 Ų96128.6 Ų128.679%0.79375%0.752SS**PPolyproline II helixtrans-65.6140174.800000112
299P40.4Very low39.8Very low108 Ų108128.2 Ų128.270%0.70176%0.755SS**PPolyproline II helixtrans-99.2122.9157.932.3-24.2000110.9
300N30Very low40.4Very low165 Ų165126.9 Ų126.988%0.88274%0.743SS**  trans-98.4104160-94.59.7000107.8
301S39Very low41.2Very low102 Ų102130 Ų13071%0.71375%0.745SS**  trans165142.9169.150.70000107.3
302S44.9Very low42.6Very low100 Ų100132.7 Ų132.770%0.69976%0.756SS**  cis-166.2157.4-6.441.20000107.2
303D38.7Very low43.2Very low156 Ų156135.4 Ų135.483%0.83476%0.763SS**  trans2.8125159-42-40.3000119
304D42Very low44.2Very low166 Ų166134.1 Ų134.189%0.88876%0.757SS**  -148.3150.8125.8-158.84.4000110.4
305S42.6Very low44.9Very low99 Ų99134.5 Ų134.569%0.69276%0.76SS**  trans-114.4142-168.3-61.10000112.1
306S54.2Low46.1Very low103 Ų103135.2 Ų135.272%0.7276%0.759SS**  trans177.4129.2131.536.50000113.5
307K50.5Low46.5Very low180 Ų180134.9 Ų134.978%0.78376%0.758SS**  trans61.7144.9130-62.6-176169.1-174.90119.4
308D50.5Low47.2Very low139 Ų139140.4 Ų140.474%0.74377%0.765SS**  cis-162178.3-6.3-102.4-27.9000107.5
309A52.5Low47.8Very low83 Ų83143.5 Ų143.569%0.68676%0.763SS**  trans8594.2161.600000119.6
310D52.1Low48.5Very low112 Ų112146.8 Ų146.860%0.59977%0.771SS**  102.798116.6-68.7-13.7000121.8
311R54Low49.1Very low203 Ų203145.2 Ų145.277%0.76676%0.763SS**  66.3113.7128.3-57.8-179.3-171.594.118.4119.2
312M65.4Low49.5Very low198 Ų198146.1 Ų146.198%0.97577%0.769SS**  -145.5153.2101.2-74-146.8165.400109.8
313D50.3Low49.4Very low150 Ų150149 Ų14980%0.80278%0.777SS**  trans-114.7-179.8-164.3-141-17.9000112
314D53.9Low49.8Very low127 Ų127147.5 Ų147.568%0.67978%0.779SS**  trans77.693.6164.6-61.5-23.2000119.9
315D54.7Low49.8Very low156 Ų156148.7 Ų148.783%0.83478%0.779SS**  98.4152.3106.6-87-15.1000125.9
316E53.5Low50Low160 Ų160150.1 Ų150.175%0.74879%0.789SS**  trans83.172.6172.5-60.6-153.7130.600120.7
317L44.9Very low49.5Very low132 Ų132148.8 Ų148.869%0.69179%0.791SS**  trans-29.8138.7139-88.1147.9000116.6E319L317-E319 HydrophobicContact CD2-CG 4.15Å
318Y46.4Very low49.6Very low214 Ų214150 Ų15084%0.83980%0.796SS**  -150.7115.9128-72.5-65000110.2
319E43.9Very low49.2Very low160 Ų160150 Ų15075%0.74880%0.797SS**  trans-96.8155.3173.8-65.9-163.7154.900112.3L317L317-E319 HydrophobicContact CD2-CG 4.15Å
320M55.6Low49.1Very low178 Ų178152 Ų15288%0.87781%0.805SS**  trans-159.8113.6152.3-100.4-99.465.600109.6
321D41.7Very low49.4Very low132 Ų132155.4 Ų155.471%0.70682%0.815SS**  trans-65.8150.1172.4-74-54.2000113.2
322S47.3Very low49.8Very low120 Ų120157 Ų15784%0.83982%0.821SS**  trans-164.8126.7145.7-81.10000111.2
323D43.7Very low50.3Low162 Ų162153.2 Ų153.287%0.86681%0.811SS**  trans-63.5145.7-175.5-61.8-79.5000114.8
324S45.9Very low51.6Low124 Ų124157.1 Ų157.187%0.86782%0.815SS**  trans-157.3126.9157.6-66.90000111.3
325E43.2Very low53Low190 Ų190154.7 Ų154.789%0.88881%0.805SS**  trans-71.1167.5-179-69.2179.483.400115.1
326S45.2Very low54.5Low130 Ų130154 Ų15491%0.90980%0.8SS**  trans95.1141.3157.183.70000118.7
327G45Very low56.2Low75 Ų75147.6 Ų147.677%0.77377%0.77SS**  trans122.635.6165.100000119.4N329G327-N329 PolarHBondContact O-N 3.36Å
328K52.8Low58.4Low204 Ų204145 Ų14589%0.88776%0.76SS**  trans-59106.6175.6-75.2175.5177.5170.30113.4S330K328-S330 PolarHBondContact O-N 2.87Å
329N41.3Very low60.5Low141 Ų141138.3 Ų138.375%0.75475%0.749SS**  trans40.661.2147.6-74.8-16.6000119.8G327 K331G327-N329 PolarHBondContact O-N 3.36Å; N329-K331 PolarHBondContact O-N 3.41Å; N329-K331 VanDerWaalsContact O-N 3.15Å
330S50.2Low62.7Low124 Ų124135.8 Ų135.887%0.86774%0.741SS**  trans-82.281.7164.1-60.10000112.7K328 R332K328-S330 PolarHBondContact O-N 2.87Å; S330-R332 PolarHBondContact O-N 3.16Å
331K58.8Low64.5Low183 Ų183128.8 Ų128.880%0.79671%0.706SS**PPolyproline II helixtrans-70.9124.2173.3-84.81641791620111N329N329-K331 PolarHBondContact O-N 3.41Å; N329-K331 VanDerWaalsContact O-N 3.15Å
332R61.9Low67Low236 Ų236129.2 Ų129.289%0.89170%0.698SS**PPolyproline II helixtrans-56134.1-177.3-157.6178.4-163-161.86111.4S330S330-R332 PolarHBondContact O-N 3.16Å
333P76Confident69.2Low120 Ų120131.7 Ų131.778%0.77969%0.689SS**PPolyproline II helixtrans-59.4139.6-177.921.6-33000112.3
334R77.5Confident71.5Confident231 Ų231129 Ų12987%0.87267%0.666SS**PPolyproline II helixtrans-82.9124.5-177.5-177.6-178.7-69.8156.1-2.3110.4I336R334-I336 PolarHBondContact O-N 2.84Å
335T82.5Confident73.8Confident77 Ų77123.1 Ų123.147%0.47263%0.625SS.*PPolyproline II helixtrans-65.5128.4173.9-43.80000111L369 V373T335-L369 HydrophobicContact CG2-CD2 4.06Å; T335-V373 HydrophobicContact CG2-CG1 4.42Å
336I87.8Confident76.2Confident142 Ų142119.8 Ų119.873%0.72861%0.608SS**  trans-104.3129.2174.2-57.2175.6000108R334R334-I336 PolarHBondContact O-N 2.84Å
337L88Confident78.4Confident25 Ų25115.8 Ų115.813%0.13158%0.582CS.*  trans-87.4132.6177.7-75.676.6000110.7Q341 R342 F345 L369 V373 W377L337-Q341 VanDerWaalsContact CA-OE1 3.32Å; L337-Q341 HydrophobicContact CB-CB 4.28Å; L337-R342 HydrophobicContact CB-CG 4.21Å; L337-R342 PolarHBondContact O-NE 2.84Å; L337-R342 PolarHBondContact O-NH2 2.89Å; L337-F345 HydrophobicContact CD2-CD1 4.38Å; L337-F345 HydrophobicContact CD2-CE1 4.18Å; L337-F345 HydrophobicContact CD2-CE2 4.43Å; L337-F345 HydrophobicContact CD2-CZ 4.19Å; L337-L369 HydrophobicContact CD2-CD1 4.32Å; L337-L369 HydrophobicContact CG-CD1 4.14Å; L337-V373 HydrophobicContact CD1-CG1 4.41Å; L337-W377 HydrophobicContact CD2-CG 4.42Å
338T91.5Very high80.7Confident77 Ų77113.1 Ų113.147%0.47255%0.551SS.*  trans-65.5167.2173.972.10000111.7N340 Q341 R342T338-N340 VanDerWaalsContact C-N 3.33Å; T338-N340 PolarHBondContact O-N 3.43Å; T338-Q341 PolarHBondContact O-N 3.02Å; T338-Q341 VanDerWaalsContact OG1-CG 3.27Å; T338-Q341 WeakPolarHBondContact OG1-CG 3.44Å; T338-Q341 PolarHBondContact OG1-N 3.4Å; T338-R342 PolarHBondContact O-N 2.99Å
339A90.3Very high82.7Confident74 Ų74104.3 Ų104.361%0.61251%0.513SS*.Hα-helixtrans-60.2-42.8176.300000111.9R342 R343A339-R342 PolarHBondContact O-N 3.29Å; A339-R343 PolarHBondContact O-N 3.45Å
340N91.1Very high85Confident107 Ų107103.4 Ų103.457%0.57250%0.504SS*.Hα-helixtrans-64.6-45.1177.8-166.831.7000112.1T338 R342 R343 R344T338-N340 VanDerWaalsContact C-N 3.33Å; T338-N340 PolarHBondContact O-N 3.43Å; N340-R342 VanDerWaalsContact C-N 3.34Å; N340-R342 PolarHBondContact O-N 3.2Å; N340-R343 PolarHBondContact O-N 3.15Å; N340-R344 PolarHBondContact O-N 3.12Å
341Q93.3Very high86.7Confident30 Ų30104.6 Ų104.614%0.1449%0.494CS..Hα-helixtrans-58-45.6174.5-70.3171.9-21.900111.2L337 T338 R343 R344 F345 T367 L369L337-Q341 VanDerWaalsContact CA-OE1 3.32Å; L337-Q341 HydrophobicContact CB-CB 4.28Å; T338-Q341 PolarHBondContact O-N 3.02Å; T338-Q341 VanDerWaalsContact OG1-CG 3.27Å; T338-Q341 WeakPolarHBondContact OG1-CG 3.44Å; T338-Q341 PolarHBondContact OG1-N 3.4Å; Q341-R343 PolarHBondContact O-N 2.8Å; Q341-R344 PolarHBondContact O-N 3.14Å; Q341-F345 WeakPolarHBondContact O-CB 3.47Å; Q341-F345 WeakPolarHBondContact O-CD2 3.17Å; Q341-F345 PolarHBondContact O-N 3.46Å; Q341-T367 HydrophobicContact CG-CG2 4.37Å; Q341-T367 PolarHBondContact NE2-O 3.37Å; Q341-L369 HydrophobicContact CG-CD1 4.35Å
342R93.7Very high88Confident142 Ų14297.9 Ų97.954%0.53647%0.467SS..Hα-helixtrans-60.8-43.1175.5-97.8178-85.6-171-4.7112.9L337 T338 A339 N340 K346L337-R342 HydrophobicContact CB-CG 4.21Å; L337-R342 PolarHBondContact O-NE 2.84Å; L337-R342 PolarHBondContact O-NH2 2.89Å; T338-R342 PolarHBondContact O-N 2.99Å; A339-R342 PolarHBondContact O-N 3.29Å; N340-R342 VanDerWaalsContact C-N 3.34Å; N340-R342 PolarHBondContact O-N 3.2Å; R342-K346 WeakPolarHBondContact O-CB 3.26Å; R342-K346 PolarHBondContact O-N 3.44Å
343R93Very high89.4Confident172 Ų17289.4 Ų89.465%0.64944%0.443SS*.Hα-helixtrans-60.6-48.1177.1-169.5-173.3-67.2136.2-8.3111.1A339 N340 Q341 K346 A347A339-R343 PolarHBondContact O-N 3.45Å; N340-R343 PolarHBondContact O-N 3.15Å; Q341-R343 PolarHBondContact O-N 2.8Å; R343-K346 PolarHBondContact O-N 3.03Å; R343-A347 PolarHBondContact O-N 3.39Å
344R91.7Very high90.1Very high105 Ų10591.3 Ų91.340%0.39644%0.439SS..Hα-helixtrans-63.6-45.3179.4-173.161.7177.2145.80.5112.3N340 Q341 K346 A347 V348 L363 E366 T367N340-R344 PolarHBondContact O-N 3.12Å; Q341-R344 PolarHBondContact O-N 3.14Å; R344-K346 VanDerWaalsContact C-N 3.34Å; R344-K346 PolarHBondContact O-N 3.41Å; R344-A347 PolarHBondContact O-N 3.21Å; R344-V348 WeakPolarHBondContact O-CG2 3.24Å; R344-V348 PolarHBondContact O-N 3.39Å; R344-V348 VanDerWaalsContact O-N 3.07Å; R344-L363 HydrophobicContact CG-CD1 3.61Å; R344-E366 IonicContact CZ-OE1 2.75Å; R344-E366 IonicContact CZ-OE2 3.38Å; R344-E366 VanDerWaalsContact CZ-OE2 3.24Å; R344-E366 IonicContact NE-OE2 3.93Å; R344-E366 PolarHBondContact NE-OE2 2.91Å; R344-E366 VanDerWaalsContact NH2-CD 3.34Å; R344-E366 IonicContact NH2-OE1 3.95Å; R344-E366 PolarHBondContact NH2-OE1 3.47Å; R344-E366 IonicContact NH2-OE2 2.85Å; R344-E366 PolarHBondContact NH2-OE2 2.95Å; R344-T367 HydrophobicContact CG-CG2 4.4Å
345F95Very high90.7Very high0 Ų080.4 Ų80.40%040%0.397CS..Hα-helixtrans-63-37.5175.7-83.3-125.2000112.3L337 Q341 F349 L363 T367 L369 V374 W377 F378L337-F345 HydrophobicContact CD2-CD1 4.38Å; L337-F345 HydrophobicContact CD2-CE1 4.18Å; L337-F345 HydrophobicContact CD2-CE2 4.43Å; L337-F345 HydrophobicContact CD2-CZ 4.19Å; Q341-F345 WeakPolarHBondContact O-CB 3.47Å; Q341-F345 WeakPolarHBondContact O-CD2 3.17Å; Q341-F345 PolarHBondContact O-N 3.46Å; F345-F349 VanDerWaalsContact O-CB 3.27Å; F345-F349 WeakPolarHBondContact O-CB 3.42Å; F345-F349 PolarHBondContact O-N 2.83Å; F345-L363 HydrophobicContact CD1-CD2 4.31Å; F345-L363 HydrophobicContact CD2-CD1 4.11Å; F345-L363 HydrophobicContact CD2-CD2 4.05Å; F345-L363 HydrophobicContact CD2-CG 4.2Å; F345-L363 HydrophobicContact CE2-CD1 4.32Å; F345-L363 HydrophobicContact CE2-CD2 4.25Å; F345-L363 HydrophobicContact CE2-CG 4.11Å; F345-L363 HydrophobicContact CG-CD2 4.13Å; F345-T367 HydrophobicContact CD2-CG2 4.2Å; F345-T367 HydrophobicContact CE2-CG2 3.8Å; F345-L369 HydrophobicContact CE2-CD1 3.82Å; F345-L369 HydrophobicContact CZ-CD1 3.63Å; F345-V374 HydrophobicContact CE1-CB 4.37Å; F345-V374 HydrophobicContact CE1-CG1 4.29Å; F345-V374 HydrophobicContact CE1-CG2 4.31Å; F345-V374 HydrophobicContact CZ-CB 4.38Å; F345-V374 HydrophobicContact CZ-CG1 4.5Å; F345-V374 HydrophobicContact CZ-CG2 3.83Å; F345-W377 HydrophobicContact CB-CD2 4.13Å; F345-W377 HydrophobicContact CB-CE3 4.15Å; F345-W377 HydrophobicContact CB-CH2 3.78Å; F345-W377 HydrophobicContact CB-CZ2 3.72Å; F345-W377 HydrophobicContact CB-CZ3 3.99Å; F345-W377 HydrophobicContact CD1-CB 3.84Å; F345-W377 AromaticContact CD1-CD1 3.98Å; F345-W377 AromaticContact CD1-CD2 3.39Å; F345-W377 HydrophobicContact CD1-CD2 3.39Å; F345-W377 AromaticContact CD1-CE2 3.89Å; F345-W377 AromaticContact CD1-CE3 3.61Å; F345-W377 HydrophobicContact CD1-CE3 3.61Å; F345-W377 AromaticContact CD1-CG 3.48Å; F345-W377 HydrophobicContact CD1-CG 3.48Å; F345-W377 VanDerWaalsContact CD1-CG 3.48Å; F345-W377 HydrophobicContact CD1-CZ3 4.28Å; F345-W377 HydrophobicContact CE1-CB 3.64Å; F345-W377 HydrophobicContact CE1-CD2 4.14Å; F345-W377 AromaticContact CE1-CG 3.74Å; F345-W377 HydrophobicContact CE1-CG 3.74Å; F345-W377 HydrophobicContact CG-CD2 4.22Å; F345-W377 HydrophobicContact CG-CE3 4.4Å; F345-F378 HydrophobicContact CD1-CD2 4.41Å; F345-F378 AromaticContact CD1-CE2 4Å; F345-F378 HydrophobicContact CD1-CE2 4Å
346K93Very high91.1Very high120 Ų12080.3 Ų80.352%0.52240%0.397SS..Hα-helixtrans-63.3-49.3175.8-167.7-175.2-174.6-102.40111.3R342 R343 R344 V348 F349 E350R342-K346 WeakPolarHBondContact O-CB 3.26Å; R342-K346 PolarHBondContact O-N 3.44Å; R343-K346 PolarHBondContact O-N 3.03Å; R344-K346 VanDerWaalsContact C-N 3.34Å; R344-K346 PolarHBondContact O-N 3.41Å; K346-V348 PolarHBondContact O-N 2.94Å; K346-F349 WeakPolarHBondContact O-CB 3.4Å; K346-F349 PolarHBondContact O-N 2.93Å; K346-E350 WeakPolarHBondContact CE-OE1 3.41Å; K346-E350 WeakPolarHBondContact CG-OE1 3.27Å; K346-E350 IonicContact NZ-OE1 3.03Å; K346-E350 PolarHBondContact NZ-OE1 3.17Å; K346-E350 WeakPolarHBondContact O-CG 3.49Å; K346-E350 PolarHBondContact O-N 3.01Å
347A91.9Very high91.3Very high46 Ų4681.9 Ų81.938%0.3839%0.394SS..Hα-helixtrans-59.1-43.5178.100000112.6R343 R344 F349 E350 F351R343-A347 PolarHBondContact O-N 3.39Å; R344-A347 PolarHBondContact O-N 3.21Å; A347-F349 VanDerWaalsContact C-N 3.32Å; A347-F349 PolarHBondContact O-N 3.22Å; A347-E350 PolarHBondContact O-N 3.36Å; A347-F351 PolarHBondContact O-N 2.92Å
348V92.4Very high91.5Very high20 Ų2088.9 Ų88.912%0.12142%0.423CS..Hα-helixtrans-67.2-33.1175.3177.70000111.7R344 K346 N352 I359 L363 F378R344-V348 WeakPolarHBondContact O-CG2 3.24Å; R344-V348 PolarHBondContact O-N 3.39Å; R344-V348 VanDerWaalsContact O-N 3.07Å; K346-V348 PolarHBondContact O-N 2.94Å; V348-N352 CarbonylContact O-C 3.57Å; V348-N352 PolarHBondContact O-N 3.22Å; V348-I359 HydrophobicContact CG1-CG2 3.87Å; V348-L363 HydrophobicContact CB-CD2 4.43Å; V348-L363 HydrophobicContact CG1-CD2 4.38Å; V348-L363 HydrophobicContact CG2-CD1 4.36Å; V348-L363 HydrophobicContact CG2-CD2 4.49Å; V348-F378 HydrophobicContact CB-CZ 4.15Å; V348-F378 HydrophobicContact CG1-CE1 4.41Å; V348-F378 HydrophobicContact CG1-CZ 3.81Å
349F94.8Very high91.5Very high18 Ų1888.1 Ų88.18%0.07942%0.415CS..Hα-helixtrans-72.1-36.6177.9-172.5-81.3000113.5F345 K346 A347 F351 N352 P353 W377 F378 Q381 R382 I385F345-F349 VanDerWaalsContact O-CB 3.27Å; F345-F349 WeakPolarHBondContact O-CB 3.42Å; F345-F349 PolarHBondContact O-N 2.83Å; K346-F349 WeakPolarHBondContact O-CB 3.4Å; K346-F349 PolarHBondContact O-N 2.93Å; A347-F349 VanDerWaalsContact C-N 3.32Å; A347-F349 PolarHBondContact O-N 3.22Å; F349-F351 VanDerWaalsContact C-N 3.31Å; F349-N352 CarbonylContact O-C 3.56Å; F349-P353 HydrophobicContact CD1-CB 4.46Å; F349-P353 HydrophobicContact CD2-CB 4.35Å; F349-P353 HydrophobicContact CE1-CB 3.95Å; F349-P353 HydrophobicContact CE2-CB 3.86Å; F349-P353 HydrophobicContact CZ-CB 3.62Å; F349-W377 HydrophobicContact CB-CH2 4.11Å; F349-W377 HydrophobicContact CB-CZ3 3.88Å; F349-W377 AromaticContact CD2-CZ3 3.81Å; F349-W377 HydrophobicContact CD2-CZ3 3.81Å; F349-W377 HydrophobicContact CG-CH2 4.45Å; F349-W377 HydrophobicContact CG-CZ3 4.09Å; F349-F378 HydrophobicContact CB-CE1 3.88Å; F349-F378 HydrophobicContact CB-CZ 4.35Å; F349-F378 AromaticContact CD2-CD1 3.55Å; F349-F378 HydrophobicContact CD2-CD1 3.55Å; F349-F378 AromaticContact CD2-CE1 3.67Å; F349-F378 HydrophobicContact CD2-CE1 3.67Å; F349-F378 HydrophobicContact CD2-CG 4.49Å; F349-F378 HydrophobicContact CE2-CD1 4.21Å; F349-F378 HydrophobicContact CG-CE1 4.24Å; F349-Q381 HydrophobicContact CD1-CG 3.98Å; F349-Q381 HydrophobicContact CD2-CB 3.98Å; F349-Q381 HydrophobicContact CD2-CG 3.51Å; F349-Q381 HydrophobicContact CE1-CG 3.88Å; F349-Q381 HydrophobicContact CE2-CB 3.71Å; F349-Q381 HydrophobicContact CE2-CG 3.38Å; F349-Q381 HydrophobicContact CG-CG 3.83Å; F349-Q381 HydrophobicContact CZ-CB 4.27Å; F349-Q381 HydrophobicContact CZ-CG 3.59Å; F349-R382 HydrophobicContact CE2-CG 3.88Å; F349-R382 HydrophobicContact CZ-CG 4.08Å; F349-I385 HydrophobicContact CE1-CD1 3.43Å; F349-I385 VanDerWaalsContact CE1-CD1 3.43Å; F349-I385 HydrophobicContact CZ-CD1 3.7Å
350E89.9Confident91.7Very high123 Ų12388 Ų8858%0.57540%0.399SS*.Hα-helixtrans-63.7-37.2176.4-75.1164.4171.800111.3K346 A347K346-E350 WeakPolarHBondContact CE-OE1 3.41Å; K346-E350 WeakPolarHBondContact CG-OE1 3.27Å; K346-E350 IonicContact NZ-OE1 3.03Å; K346-E350 PolarHBondContact NZ-OE1 3.17Å; K346-E350 WeakPolarHBondContact O-CG 3.49Å; K346-E350 PolarHBondContact O-N 3.01Å; A347-E350 PolarHBondContact O-N 3.36Å
351F86.7Confident91.9Very high149 Ų14986.1 Ų86.165%0.65439%0.387SS*.Hα-helixtrans-83.1-39.2174.7-170.4-99.5000113.7A347 F349A347-F351 PolarHBondContact O-N 2.92Å; F349-F351 VanDerWaalsContact C-N 3.31Å
352N85Confident91.8Very high41 Ų4186.9 Ų86.922%0.21940%0.399CS..  trans-143.897.9-179.1-168.3-30.5000111.9V348 F349 K354 P355V348-N352 CarbonylContact O-C 3.57Å; V348-N352 PolarHBondContact O-N 3.22Å; F349-N352 CarbonylContact O-C 3.56Å; N352-K354 PolarHBondContact O-N 3.27Å; N352-K354 WeakPolarHBondContact OD1-CA 3.33Å; N352-K354 PolarHBondContact OD1-N 3.26Å; N352-K354 PolarHBondContact OD1-O 3.42Å; N352-P355 WeakPolarHBondContact O-CD 3.45Å; N352-P355 WeakPolarHBondContact OD1-CA 3.37Å; N352-P355 VanDerWaalsContact OD1-N 3.16Å
353P91.4Very high91.9Very high59 Ų5980.3 Ų80.338%0.38337%0.374SS..SBendtrans-73.3-8.9179.828.7-35.3000113.8F349 R382F349-P353 HydrophobicContact CD1-CB 4.46Å; F349-P353 HydrophobicContact CD2-CB 4.35Å; F349-P353 HydrophobicContact CE1-CB 3.95Å; F349-P353 HydrophobicContact CE2-CB 3.86Å; F349-P353 HydrophobicContact CZ-CB 3.62Å; P353-R382 VanDerWaalsContact O-CD 3.32Å; P353-R382 WeakPolarHBondContact O-CD 3.43Å; P353-R382 PolarHBondContact O-NH1 3.45Å
354K92.3Very high92Very high160 Ų16072.6 Ų72.670%0.69635%0.347SS*.SBendtrans-12858.3177.1-66.7-179.7-176.6169.70110.4N352 T356N352-K354 PolarHBondContact O-N 3.27Å; N352-K354 WeakPolarHBondContact OD1-CA 3.33Å; N352-K354 PolarHBondContact OD1-N 3.26Å; N352-K354 PolarHBondContact OD1-O 3.42Å; K354-T356 PolarHBondContact O-N 2.83Å
355P89.5Confident92.1Very high1 Ų173.4 Ų73.41%0.00636%0.364CS..  trans-58.8138.7-169.527.3-37.3000111.3N352 I359 R360 F378N352-P355 WeakPolarHBondContact O-CD 3.45Å; N352-P355 WeakPolarHBondContact OD1-CA 3.37Å; N352-P355 VanDerWaalsContact OD1-N 3.16Å; P355-I359 HydrophobicContact CB-CB 3.99Å; P355-I359 HydrophobicContact CB-CG2 3.64Å; P355-R360 HydrophobicContact CB-CG 4.02Å; P355-R360 HydrophobicContact CG-CG 3.7Å; P355-R360 PolarHBondContact O-NH1 3.05Å; P355-F378 HydrophobicContact CB-CE1 4.39Å; P355-F378 HydrophobicContact CG-CD1 3.45Å; P355-F378 VanDerWaalsContact CG-CD1 3.45Å; P355-F378 HydrophobicContact CG-CD2 4.1Å; P355-F378 HydrophobicContact CG-CE1 3.49Å; P355-F378 VanDerWaalsContact CG-CE1 3.49Å; P355-F378 HydrophobicContact CG-CE2 4.15Å; P355-F378 HydrophobicContact CG-CG 3.78Å; P355-F378 HydrophobicContact CG-CZ 3.87Å
356T91.7Very high91.9Very high76 Ų7678.5 Ų78.547%0.46639%0.388SS..  trans-61.9168.8179.164.20000111.8K354 K358 I359 R360K354-T356 PolarHBondContact O-N 2.83Å; T356-K358 VanDerWaalsContact C-N 3.33Å; T356-K358 PolarHBondContact O-N 3.15Å; T356-I359 PolarHBondContact O-N 2.81Å; T356-I359 WeakPolarHBondContact OG1-CD1 3.42Å; T356-I359 WeakPolarHBondContact OG1-CG1 3.39Å; T356-I359 PolarHBondContact OG1-N 2.86Å; T356-R360 WeakPolarHBondContact O-CG 3.48Å; T356-R360 PolarHBondContact O-N 3.07Å
357R91.5Very high91.9Very high175 Ų17573.7 Ų73.766%0.6637%0.368SS*.Hα-helixtrans-54.7-48.4177.8-179.8176.4172.1174.7-3.4111.8I359 R360 E361R357-I359 PolarHBondContact O-N 3.15Å; R357-R360 PolarHBondContact O-N 3.03Å; R357-R360 VanDerWaalsContact O-N 3.17Å; R357-E361 HydrophobicContact CG-CG 4.49Å; R357-E361 IonicContact CZ-OE1 3.8Å; R357-E361 IonicContact NE-OE1 3.35Å; R357-E361 PolarHBondContact NE-OE1 2.8Å; R357-E361 IonicContact NE-OE2 2.69Å; R357-E361 IonicContact NH2-OE1 3.88Å; R357-E361 PolarHBondContact NH2-OE1 3.07Å; R357-E361 WeakPolarHBondContact O-CG 3.43Å; R357-E361 PolarHBondContact O-N 3.2Å
358K92.2Very high91.9Very high171 Ų17175 Ų7574%0.74339%0.386SS*.Hα-helixtrans-58.1-45178.5-170.3179.4-179.3-175.90112.6T356 R360 E361 A362T356-K358 VanDerWaalsContact C-N 3.33Å; T356-K358 PolarHBondContact O-N 3.15Å; K358-R360 PolarHBondContact O-N 2.91Å; K358-E361 PolarHBondContact O-N 2.79Å; K358-A362 WeakPolarHBondContact O-CB 3.49Å; K358-A362 PolarHBondContact O-N 2.95Å
359I90.8Very high92Very high61 Ų6175.1 Ų75.131%0.31339%0.386SS..Hα-helixtrans-64.4-40177.4-63.9168.5000111.1V348 P355 T356 R357 L363V348-I359 HydrophobicContact CG1-CG2 3.87Å; P355-I359 HydrophobicContact CB-CB 3.99Å; P355-I359 HydrophobicContact CB-CG2 3.64Å; T356-I359 PolarHBondContact O-N 2.81Å; T356-I359 WeakPolarHBondContact OG1-CD1 3.42Å; T356-I359 WeakPolarHBondContact OG1-CG1 3.39Å; T356-I359 PolarHBondContact OG1-N 2.86Å; R357-I359 PolarHBondContact O-N 3.15Å; I359-L363 VanDerWaalsContact O-CB 3.28Å; I359-L363 WeakPolarHBondContact O-CB 3.17Å; I359-L363 PolarHBondContact O-N 3.48Å
360R94.6Very high91.9Very high71 Ų7179.5 Ų79.527%0.26841%0.41SS..Hα-helixtrans-69.3-33.7177.2-66.1-175.3-56.6-12010.1113P355 T356 R357 K358 A364 V374P355-R360 HydrophobicContact CB-CG 4.02Å; P355-R360 HydrophobicContact CG-CG 3.7Å; P355-R360 PolarHBondContact O-NH1 3.05Å; T356-R360 WeakPolarHBondContact O-CG 3.48Å; T356-R360 PolarHBondContact O-N 3.07Å; R357-R360 PolarHBondContact O-N 3.03Å; R357-R360 VanDerWaalsContact O-N 3.17Å; K358-R360 PolarHBondContact O-N 2.91Å; R360-A364 VanDerWaalsContact O-CB 3.29Å; R360-A364 WeakPolarHBondContact O-CB 3.29Å; R360-A364 PolarHBondContact O-N 3.15Å; R360-V374 HydrophobicContact CB-CG1 4.14Å; R360-V374 HydrophobicContact CG-CG1 4.21Å
361E95.1Very high92Very high69 Ų6976.1 Ų76.132%0.32240%0.396SS..Hα-helixtrans-69-47.5174.3-75.9165.2166.500110.7R357 K358 L363 A364 T365 I371R357-E361 HydrophobicContact CG-CG 4.49Å; R357-E361 IonicContact CZ-OE1 3.8Å; R357-E361 IonicContact NE-OE1 3.35Å; R357-E361 PolarHBondContact NE-OE1 2.8Å; R357-E361 IonicContact NE-OE2 2.69Å; R357-E361 IonicContact NH2-OE1 3.88Å; R357-E361 PolarHBondContact NH2-OE1 3.07Å; R357-E361 WeakPolarHBondContact O-CG 3.43Å; R357-E361 PolarHBondContact O-N 3.2Å; K358-E361 PolarHBondContact O-N 2.79Å; E361-L363 PolarHBondContact O-N 3.21Å; E361-A364 WeakPolarHBondContact O-CB 3.46Å; E361-A364 PolarHBondContact O-N 3.41Å; E361-T365 PolarHBondContact O-N 2.95Å; E361-T365 VanDerWaalsContact O-N 3.08Å; E361-T365 PolarHBondContact O-OG1 3.42Å; E361-T365 VanDerWaalsContact O-OG1 3.13Å; E361-I371 HydrophobicContact CG-CD1 3.53Å
362A92.4Very high92.3Very high46 Ų4677 Ų7738%0.3840%0.395SS..Hα-helixtrans-57.9-48.7173.800000112.1K358 A364 T365 E366K358-A362 WeakPolarHBondContact O-CB 3.49Å; K358-A362 PolarHBondContact O-N 2.95Å; A362-A364 VanDerWaalsContact C-N 3.31Å; A362-A364 PolarHBondContact O-N 2.93Å; A362-T365 WeakPolarHBondContact O-CB 3.27Å; A362-T365 PolarHBondContact O-N 2.93Å; A362-T365 VanDerWaalsContact O-N 3.16Å; A362-E366 WeakPolarHBondContact O-CG 3.09Å; A362-E366 PolarHBondContact O-N 3.41Å
363L94.1Very high92.8Very high3 Ų376.7 Ų76.72%0.01639%0.394CS..Hα-helixtrans-64.8-32.5179.2-174.962.1000112.8R344 F345 V348 I359 E361 T367 V374 F378R344-L363 HydrophobicContact CG-CD1 3.61Å; F345-L363 HydrophobicContact CD1-CD2 4.31Å; F345-L363 HydrophobicContact CD2-CD1 4.11Å; F345-L363 HydrophobicContact CD2-CD2 4.05Å; F345-L363 HydrophobicContact CD2-CG 4.2Å; F345-L363 HydrophobicContact CE2-CD1 4.32Å; F345-L363 HydrophobicContact CE2-CD2 4.25Å; F345-L363 HydrophobicContact CE2-CG 4.11Å; F345-L363 HydrophobicContact CG-CD2 4.13Å; V348-L363 HydrophobicContact CB-CD2 4.43Å; V348-L363 HydrophobicContact CG1-CD2 4.38Å; V348-L363 HydrophobicContact CG2-CD1 4.36Å; V348-L363 HydrophobicContact CG2-CD2 4.49Å; I359-L363 VanDerWaalsContact O-CB 3.28Å; I359-L363 WeakPolarHBondContact O-CB 3.17Å; I359-L363 PolarHBondContact O-N 3.48Å; E361-L363 PolarHBondContact O-N 3.21Å; L363-T367 HydrophobicContact CD1-CG2 3.88Å; L363-T367 WeakPolarHBondContact O-CB 3.21Å; L363-T367 WeakPolarHBondContact O-CG2 3.46Å; L363-T367 PolarHBondContact O-N 2.89Å; L363-T367 VanDerWaalsContact O-N 3.13Å; L363-T367 PolarHBondContact O-OG1 3.31Å; L363-V374 HydrophobicContact CB-CG1 4.46Å; L363-V374 HydrophobicContact CD2-CG1 3.93Å; L363-V374 HydrophobicContact CG-CG1 4.35Å; L363-F378 HydrophobicContact CD2-CE2 3.64Å; L363-F378 HydrophobicContact CD2-CZ 4.1Å
364A95.7Very high92.9Very high11 Ų1173.9 Ų73.99%0.09138%0.376CS..Hα-helixtrans-63.1-46.6172.800000111.1R360 E361 A362 G368 L369 I371 V374R360-A364 VanDerWaalsContact O-CB 3.29Å; R360-A364 WeakPolarHBondContact O-CB 3.29Å; R360-A364 PolarHBondContact O-N 3.15Å; E361-A364 WeakPolarHBondContact O-CB 3.46Å; E361-A364 PolarHBondContact O-N 3.41Å; A362-A364 VanDerWaalsContact C-N 3.31Å; A362-A364 PolarHBondContact O-N 2.93Å; A364-G368 PolarHBondContact O-N 3.2Å; A364-L369 WeakPolarHBondContact CA-O 3.39Å; A364-L369 VanDerWaalsContact CB-O 3.31Å; A364-L369 WeakPolarHBondContact CB-O 3.42Å; A364-L369 PolarHBondContact O-N 3.43Å; A364-L369 VanDerWaalsContact O-N 3.1Å; A364-I371 HydrophobicContact CB-CB 4.22Å; A364-V374 HydrophobicContact CB-CG2 3.88Å
365T93.6Very high93Very high121 Ų12169 Ų6974%0.74236%0.356SS*.Hα-helixtrans-63.7-51.4176.4-54.10000111.8E361 A362 T367 G368E361-T365 PolarHBondContact O-N 2.95Å; E361-T365 VanDerWaalsContact O-N 3.08Å; E361-T365 PolarHBondContact O-OG1 3.42Å; E361-T365 VanDerWaalsContact O-OG1 3.13Å; A362-T365 WeakPolarHBondContact O-CB 3.27Å; A362-T365 PolarHBondContact O-N 2.93Å; A362-T365 VanDerWaalsContact O-N 3.16Å; T365-T367 PolarHBondContact O-N 2.92Å; T365-G368 PolarHBondContact O-N 3.35Å
366E92Very high93.2Very high108 Ų10871.5 Ų71.551%0.50537%0.371SS..Hα-helixtrans-56-35.5178.7-75.3177.8-161.200113.1R344 A362R344-E366 IonicContact CZ-OE1 2.75Å; R344-E366 IonicContact CZ-OE2 3.38Å; R344-E366 VanDerWaalsContact CZ-OE2 3.24Å; R344-E366 IonicContact NE-OE2 3.93Å; R344-E366 PolarHBondContact NE-OE2 2.91Å; R344-E366 VanDerWaalsContact NH2-CD 3.34Å; R344-E366 IonicContact NH2-OE1 3.95Å; R344-E366 PolarHBondContact NH2-OE1 3.47Å; R344-E366 IonicContact NH2-OE2 2.85Å; R344-E366 PolarHBondContact NH2-OE2 2.95Å; A362-E366 WeakPolarHBondContact O-CG 3.09Å; A362-E366 PolarHBondContact O-N 3.41Å
367T92.1Very high93.4Very high19 Ų1970 Ų7012%0.11736%0.357CS..Hα-helixtrans-100.9-3.7-173.361.40000114.5Q341 R344 F345 L363 T365 L369Q341-T367 HydrophobicContact CG-CG2 4.37Å; Q341-T367 PolarHBondContact NE2-O 3.37Å; R344-T367 HydrophobicContact CG-CG2 4.4Å; F345-T367 HydrophobicContact CD2-CG2 4.2Å; F345-T367 HydrophobicContact CE2-CG2 3.8Å; L363-T367 HydrophobicContact CD1-CG2 3.88Å; L363-T367 WeakPolarHBondContact O-CB 3.21Å; L363-T367 WeakPolarHBondContact O-CG2 3.46Å; L363-T367 PolarHBondContact O-N 2.89Å; L363-T367 VanDerWaalsContact O-N 3.13Å; L363-T367 PolarHBondContact O-OG1 3.31Å; T365-T367 PolarHBondContact O-N 2.92Å; T367-L369 PolarHBondContact O-N 2.96Å
368G93Very high93.7Very high73 Ų7361.8 Ų61.875%0.75333%0.326SS*.THydrogen-bonded Turntrans64.723.7-175.700000113.6A364 T365A364-G368 PolarHBondContact O-N 3.2Å; T365-G368 PolarHBondContact O-N 3.35Å
369L93.1Very high93.7Very high22 Ų2258.5 Ų58.512%0.11531%0.313CS..  trans-107.9144.5-175.9-67.5176.4000111.1T335 L337 Q341 F345 A364 T367 I371 V373T335-L369 HydrophobicContact CG2-CD2 4.06Å; L337-L369 HydrophobicContact CD2-CD1 4.32Å; L337-L369 HydrophobicContact CG-CD1 4.14Å; Q341-L369 HydrophobicContact CG-CD1 4.35Å; F345-L369 HydrophobicContact CE2-CD1 3.82Å; F345-L369 HydrophobicContact CZ-CD1 3.63Å; A364-L369 WeakPolarHBondContact CA-O 3.39Å; A364-L369 VanDerWaalsContact CB-O 3.31Å; A364-L369 WeakPolarHBondContact CB-O 3.42Å; A364-L369 PolarHBondContact O-N 3.43Å; A364-L369 VanDerWaalsContact O-N 3.1Å; T367-L369 PolarHBondContact O-N 2.96Å; L369-I371 PolarHBondContact O-N 2.8Å; L369-V373 HydrophobicContact CD1-CG1 4.32Å
370N92.6Very high94Very high111 Ų11160.4 Ų60.459%0.59432%0.324SS*.  trans-59.1136173.5-175.5-60.9000110.2R372 V373 V374N370-R372 PolarHBondContact O-N 3.45Å; N370-R372 WeakPolarHBondContact OD1-CB 3.38Å; N370-R372 PolarHBondContact OD1-N 3.22Å; N370-V373 HydrophobicContact CB-CG2 4.27Å; N370-V373 WeakPolarHBondContact O-CA 3.32Å; N370-V373 VanDerWaalsContact O-CB 3.3Å; N370-V373 WeakPolarHBondContact O-CB 3.5Å; N370-V373 PolarHBondContact O-N 3.32Å; N370-V374 PolarHBondContact O-N 2.99Å
371I92.7Very high93.9Very high52 Ų5259.5 Ų59.527%0.26732%0.323SS..Hα-helixtrans-51.6-30.3179.8-166.3179.8000113.5E361 A364 L369 V374 Q375E361-I371 HydrophobicContact CG-CD1 3.53Å; A364-I371 HydrophobicContact CB-CB 4.22Å; L369-I371 PolarHBondContact O-N 2.8Å; I371-V374 WeakPolarHBondContact O-CB 3.21Å; I371-V374 PolarHBondContact O-N 3.22Å; I371-Q375 VanDerWaalsContact O-CG 3.28Å; I371-Q375 WeakPolarHBondContact O-CG 3.47Å; I371-Q375 PolarHBondContact O-N 3.06Å
372R93.5Very high93.9Very high168 Ų16860.2 Ų60.263%0.63432%0.322SS*.Hα-helixtrans-67.3-33.5174.8-170169.5177.881.2-4.3112.5N370 V376N370-R372 PolarHBondContact O-N 3.45Å; N370-R372 WeakPolarHBondContact OD1-CB 3.38Å; N370-R372 PolarHBondContact OD1-N 3.22Å; R372-V376 HydrophobicContact CG-CG2 4.42Å; R372-V376 WeakPolarHBondContact O-CB 3.49Å; R372-V376 WeakPolarHBondContact O-CG2 3.25Å; R372-V376 PolarHBondContact O-N 3.18Å
373V94.2Very high93.9Very high34 Ų3460.7 Ų60.721%0.20633%0.326CS..Hα-helixtrans-66.1-42.6171.7179.90000110T335 L337 L369 N370 V376 W377T335-V373 HydrophobicContact CG2-CG1 4.42Å; L337-V373 HydrophobicContact CD1-CG1 4.41Å; L369-V373 HydrophobicContact CD1-CG1 4.32Å; N370-V373 HydrophobicContact CB-CG2 4.27Å; N370-V373 WeakPolarHBondContact O-CA 3.32Å; N370-V373 VanDerWaalsContact O-CB 3.3Å; N370-V373 WeakPolarHBondContact O-CB 3.5Å; N370-V373 PolarHBondContact O-N 3.32Å; V373-V376 PolarHBondContact O-N 2.77Å; V373-W377 WeakPolarHBondContact O-CB 3.33Å; V373-W377 PolarHBondContact O-N 2.78Å
374V94.5Very high93.8Very high0 Ų067.6 Ų67.60%036%0.356CS..Hα-helixtrans-58.5-53.1173.9-176.40000110.9F345 R360 L363 A364 N370 I371 V376 W377 F378F345-V374 HydrophobicContact CE1-CB 4.37Å; F345-V374 HydrophobicContact CE1-CG1 4.29Å; F345-V374 HydrophobicContact CE1-CG2 4.31Å; F345-V374 HydrophobicContact CZ-CB 4.38Å; F345-V374 HydrophobicContact CZ-CG1 4.5Å; F345-V374 HydrophobicContact CZ-CG2 3.83Å; R360-V374 HydrophobicContact CB-CG1 4.14Å; R360-V374 HydrophobicContact CG-CG1 4.21Å; L363-V374 HydrophobicContact CB-CG1 4.46Å; L363-V374 HydrophobicContact CD2-CG1 3.93Å; L363-V374 HydrophobicContact CG-CG1 4.35Å; A364-V374 HydrophobicContact CB-CG2 3.88Å; N370-V374 PolarHBondContact O-N 2.99Å; I371-V374 WeakPolarHBondContact O-CB 3.21Å; I371-V374 PolarHBondContact O-N 3.22Å; V374-V376 PolarHBondContact O-N 2.87Å; V374-W377 PolarHBondContact O-N 2.96Å; V374-F378 HydrophobicContact CG1-CD2 4.1Å; V374-F378 HydrophobicContact CG1-CE2 4.17Å; V374-F378 WeakPolarHBondContact O-CD2 3.45Å; V374-F378 PolarHBondContact O-N 3.3Å; V374-F378 VanDerWaalsContact O-N 3.13Å
375Q94.1Very high93.4Very high58 Ų5871.3 Ų71.327%0.27137%0.373SS..Hα-helixtrans-56.4-47.9178.6-70.8168.94.700112.5I371 F378 Q379I371-Q375 VanDerWaalsContact O-CG 3.28Å; I371-Q375 WeakPolarHBondContact O-CG 3.47Å; I371-Q375 PolarHBondContact O-N 3.06Å; Q375-F378 PolarHBondContact O-N 3.38Å; Q375-Q379 VanDerWaalsContact O-CG 3.29Å; Q375-Q379 WeakPolarHBondContact O-CG 3.45Å; Q375-Q379 PolarHBondContact O-N 2.92Å
376V94.7Very high93.1Very high53 Ų5372 Ų7232%0.32137%0.366SS..Hα-helixtrans-66.4-37.6-179.8168.50000111.6R372 V373 V374 Q379 N380R372-V376 HydrophobicContact CG-CG2 4.42Å; R372-V376 WeakPolarHBondContact O-CB 3.49Å; R372-V376 WeakPolarHBondContact O-CG2 3.25Å; R372-V376 PolarHBondContact O-N 3.18Å; V373-V376 PolarHBondContact O-N 2.77Å; V374-V376 PolarHBondContact O-N 2.87Å; V376-Q379 PolarHBondContact O-N 3.4Å; V376-N380 WeakPolarHBondContact O-CB 3.46Å; V376-N380 VanDerWaalsContact O-CG 3.23Å; V376-N380 PolarHBondContact O-N 2.83Å; V376-N380 PolarHBondContact O-ND2 3.16Å
377W95.8Very high92.9Very high45 Ų4573.8 Ų73.817%0.1737%0.372CS..Hα-helixtrans-61.4-48.2175.3-170.5103.3000111.3L337 F345 F349 V373 V374 Q379 N380 Q381L337-W377 HydrophobicContact CD2-CG 4.42Å; F345-W377 HydrophobicContact CB-CD2 4.13Å; F345-W377 HydrophobicContact CB-CE3 4.15Å; F345-W377 HydrophobicContact CB-CH2 3.78Å; F345-W377 HydrophobicContact CB-CZ2 3.72Å; F345-W377 HydrophobicContact CB-CZ3 3.99Å; F345-W377 HydrophobicContact CD1-CB 3.84Å; F345-W377 AromaticContact CD1-CD1 3.98Å; F345-W377 AromaticContact CD1-CD2 3.39Å; F345-W377 HydrophobicContact CD1-CD2 3.39Å; F345-W377 AromaticContact CD1-CE2 3.89Å; F345-W377 AromaticContact CD1-CE3 3.61Å; F345-W377 HydrophobicContact CD1-CE3 3.61Å; F345-W377 AromaticContact CD1-CG 3.48Å; F345-W377 HydrophobicContact CD1-CG 3.48Å; F345-W377 VanDerWaalsContact CD1-CG 3.48Å; F345-W377 HydrophobicContact CD1-CZ3 4.28Å; F345-W377 HydrophobicContact CE1-CB 3.64Å; F345-W377 HydrophobicContact CE1-CD2 4.14Å; F345-W377 AromaticContact CE1-CG 3.74Å; F345-W377 HydrophobicContact CE1-CG 3.74Å; F345-W377 HydrophobicContact CG-CD2 4.22Å; F345-W377 HydrophobicContact CG-CE3 4.4Å; F349-W377 HydrophobicContact CB-CH2 4.11Å; F349-W377 HydrophobicContact CB-CZ3 3.88Å; F349-W377 AromaticContact CD2-CZ3 3.81Å; F349-W377 HydrophobicContact CD2-CZ3 3.81Å; F349-W377 HydrophobicContact CG-CH2 4.45Å; F349-W377 HydrophobicContact CG-CZ3 4.09Å; V373-W377 WeakPolarHBondContact O-CB 3.33Å; V373-W377 PolarHBondContact O-N 2.78Å; V374-W377 PolarHBondContact O-N 2.96Å; W377-Q379 VanDerWaalsContact C-N 3.32Å; W377-Q379 PolarHBondContact O-N 2.92Å; W377-N380 PolarHBondContact O-N 3.25Å; W377-Q381 HydrophobicContact CE3-CB 3.98Å; W377-Q381 HydrophobicContact CH2-CB 4.22Å; W377-Q381 HydrophobicContact CH2-CG 3.9Å; W377-Q381 HydrophobicContact CZ3-CB 3.82Å; W377-Q381 HydrophobicContact CZ3-CG 3.85Å; W377-Q381 WeakPolarHBondContact O-CB 3.45Å; W377-Q381 PolarHBondContact O-N 3.01Å
378F96.7Very high92.6Very high2 Ų276.7 Ų76.71%0.00939%0.387CS..Hα-helixtrans-65.6-33.6178.3-85.3-94.4000112.5F345 V348 F349 P355 L363 V374 Q375 R382F345-F378 HydrophobicContact CD1-CD2 4.41Å; F345-F378 AromaticContact CD1-CE2 4Å; F345-F378 HydrophobicContact CD1-CE2 4Å; V348-F378 HydrophobicContact CB-CZ 4.15Å; V348-F378 HydrophobicContact CG1-CE1 4.41Å; V348-F378 HydrophobicContact CG1-CZ 3.81Å; F349-F378 HydrophobicContact CB-CE1 3.88Å; F349-F378 HydrophobicContact CB-CZ 4.35Å; F349-F378 AromaticContact CD2-CD1 3.55Å; F349-F378 HydrophobicContact CD2-CD1 3.55Å; F349-F378 AromaticContact CD2-CE1 3.67Å; F349-F378 HydrophobicContact CD2-CE1 3.67Å; F349-F378 HydrophobicContact CD2-CG 4.49Å; F349-F378 HydrophobicContact CE2-CD1 4.21Å; F349-F378 HydrophobicContact CG-CE1 4.24Å; P355-F378 HydrophobicContact CB-CE1 4.39Å; P355-F378 HydrophobicContact CG-CD1 3.45Å; P355-F378 VanDerWaalsContact CG-CD1 3.45Å; P355-F378 HydrophobicContact CG-CD2 4.1Å; P355-F378 HydrophobicContact CG-CE1 3.49Å; P355-F378 VanDerWaalsContact CG-CE1 3.49Å; P355-F378 HydrophobicContact CG-CE2 4.15Å; P355-F378 HydrophobicContact CG-CG 3.78Å; P355-F378 HydrophobicContact CG-CZ 3.87Å; L363-F378 HydrophobicContact CD2-CE2 3.64Å; L363-F378 HydrophobicContact CD2-CZ 4.1Å; V374-F378 HydrophobicContact CG1-CD2 4.1Å; V374-F378 HydrophobicContact CG1-CE2 4.17Å; V374-F378 WeakPolarHBondContact O-CD2 3.45Å; V374-F378 PolarHBondContact O-N 3.3Å; V374-F378 VanDerWaalsContact O-N 3.13Å; Q375-F378 PolarHBondContact O-N 3.38Å; F378-R382 WeakPolarHBondContact O-CG 3.21Å; F378-R382 PolarHBondContact O-N 2.94Å; F378-R382 VanDerWaalsContact O-N 3.1Å; F378-R382 PolarHBondContact O-NH1 3.42Å
379Q93.2Very high92.1Very high101 Ų10176 Ų7647%0.47237%0.374SS..Hα-helixtrans-63.7-49.7171.2-72.9170.76.300111.6Q375 V376 W377 Q381 R382 A383Q375-Q379 VanDerWaalsContact O-CG 3.29Å; Q375-Q379 WeakPolarHBondContact O-CG 3.45Å; Q375-Q379 PolarHBondContact O-N 2.92Å; V376-Q379 PolarHBondContact O-N 3.4Å; W377-Q379 VanDerWaalsContact C-N 3.32Å; W377-Q379 PolarHBondContact O-N 2.92Å; Q379-Q381 VanDerWaalsContact C-N 3.35Å; Q379-Q381 PolarHBondContact O-N 3.15Å; Q379-R382 PolarHBondContact O-N 3.15Å; Q379-A383 WeakPolarHBondContact O-CB 3.34Å; Q379-A383 PolarHBondContact O-N 2.74Å
380N95.9Very high91.6Very high102 Ų10282.8 Ų82.855%0.54540%0.398SS..Hα-helixtrans-63.8-38.5179.4-71.9-14.2000112.2V376 W377 A383 K384V376-N380 WeakPolarHBondContact O-CB 3.46Å; V376-N380 VanDerWaalsContact O-CG 3.23Å; V376-N380 PolarHBondContact O-N 2.83Å; V376-N380 PolarHBondContact O-ND2 3.16Å; W377-N380 PolarHBondContact O-N 3.25Å; N380-A383 PolarHBondContact O-N 3.46Å; N380-K384 WeakPolarHBondContact O-CB 3.37Å; N380-K384 PolarHBondContact O-N 3.02Å
381Q93.3Very high91.1Very high52 Ų5283.5 Ų83.524%0.24339%0.392CS..Hα-helixtrans-68.3-43178.2-173.864.3400111.7F349 W377 Q379 A383 K384 I385F349-Q381 HydrophobicContact CD1-CG 3.98Å; F349-Q381 HydrophobicContact CD2-CB 3.98Å; F349-Q381 HydrophobicContact CD2-CG 3.51Å; F349-Q381 HydrophobicContact CE1-CG 3.88Å; F349-Q381 HydrophobicContact CE2-CB 3.71Å; F349-Q381 HydrophobicContact CE2-CG 3.38Å; F349-Q381 HydrophobicContact CG-CG 3.83Å; F349-Q381 HydrophobicContact CZ-CB 4.27Å; F349-Q381 HydrophobicContact CZ-CG 3.59Å; W377-Q381 HydrophobicContact CE3-CB 3.98Å; W377-Q381 HydrophobicContact CH2-CB 4.22Å; W377-Q381 HydrophobicContact CH2-CG 3.9Å; W377-Q381 HydrophobicContact CZ3-CB 3.82Å; W377-Q381 HydrophobicContact CZ3-CG 3.85Å; W377-Q381 WeakPolarHBondContact O-CB 3.45Å; W377-Q381 PolarHBondContact O-N 3.01Å; Q379-Q381 VanDerWaalsContact C-N 3.35Å; Q379-Q381 PolarHBondContact O-N 3.15Å; Q381-A383 VanDerWaalsContact C-N 3.33Å; Q381-A383 PolarHBondContact O-N 2.91Å; Q381-K384 WeakPolarHBondContact O-CB 3.16Å; Q381-K384 PolarHBondContact O-N 3.16Å; Q381-I385 PolarHBondContact O-N 3.01Å; Q381-I385 VanDerWaalsContact O-N 3.12Å
382R95.2Very high90.7Very high84 Ų8486 Ų8632%0.31740%0.402SS..Hα-helixtrans-62.1-39170.2-73.2-167.9-60-83.6-3.6112.3F349 P353 F378 Q379 K384 I385 K386F349-R382 HydrophobicContact CE2-CG 3.88Å; F349-R382 HydrophobicContact CZ-CG 4.08Å; P353-R382 VanDerWaalsContact O-CD 3.32Å; P353-R382 WeakPolarHBondContact O-CD 3.43Å; P353-R382 PolarHBondContact O-NH1 3.45Å; F378-R382 WeakPolarHBondContact O-CG 3.21Å; F378-R382 PolarHBondContact O-N 2.94Å; F378-R382 VanDerWaalsContact O-N 3.1Å; F378-R382 PolarHBondContact O-NH1 3.42Å; Q379-R382 PolarHBondContact O-N 3.15Å; R382-K384 VanDerWaalsContact C-N 3.35Å; R382-I385 PolarHBondContact O-N 3.47Å; R382-K386 WeakPolarHBondContact O-CB 3.33Å; R382-K386 PolarHBondContact O-N 3.05Å
383A91.9Very high90Very high55 Ų5580.3 Ų80.346%0.45539%0.391SS..Hα-helixtrans-64.5-38.2175.800000112.1Q379 N380 Q381 K386 K387Q379-A383 WeakPolarHBondContact O-CB 3.34Å; Q379-A383 PolarHBondContact O-N 2.74Å; N380-A383 PolarHBondContact O-N 3.46Å; Q381-A383 VanDerWaalsContact C-N 3.33Å; Q381-A383 PolarHBondContact O-N 2.91Å; A383-K386 PolarHBondContact O-N 3.03Å; A383-K387 WeakPolarHBondContact O-CB 3.21Å; A383-K387 PolarHBondContact O-N 3.44Å
384K91.7Very high89.3Confident148 Ų14884.6 Ų84.664%0.64341%0.409SS*.Hα-helixtrans-60.4-48.4174.4-171.7179.5179.6-176.90111.4N380 Q381 R382 K387 L388N380-K384 WeakPolarHBondContact O-CB 3.37Å; N380-K384 PolarHBondContact O-N 3.02Å; Q381-K384 WeakPolarHBondContact O-CB 3.16Å; Q381-K384 PolarHBondContact O-N 3.16Å; R382-K384 VanDerWaalsContact C-N 3.35Å; K384-K387 PolarHBondContact O-N 3.41Å; K384-L388 PolarHBondContact O-N 3Å
385I87Confident88.5Confident90 Ų9088.8 Ų88.846%0.46243%0.429SS..Hα-helixtrans-62.7-45.4176.7-67.3-179.3000111.3F349 Q381 R382 K387 L388 A389F349-I385 HydrophobicContact CE1-CD1 3.43Å; F349-I385 VanDerWaalsContact CE1-CD1 3.43Å; F349-I385 HydrophobicContact CZ-CD1 3.7Å; Q381-I385 PolarHBondContact O-N 3.01Å; Q381-I385 VanDerWaalsContact O-N 3.12Å; R382-I385 PolarHBondContact O-N 3.47Å; I385-K387 VanDerWaalsContact C-N 3.26Å; I385-K387 PolarHBondContact O-N 2.98Å; I385-L388 PolarHBondContact O-N 3.02Å; I385-L388 VanDerWaalsContact O-N 3.16Å; I385-A389 PolarHBondContact O-N 2.63Å
386K87.5Confident87.6Confident134 Ų13489.3 Ų89.358%0.58344%0.439SS*.Hα-helixtrans-61-33.7176.4-171174.1-177.1175.50112.7R382 A383 R390R382-K386 WeakPolarHBondContact O-CB 3.33Å; R382-K386 PolarHBondContact O-N 3.05Å; A383-K386 PolarHBondContact O-N 3.03Å; K386-R390 VanDerWaalsContact O-CG 3.31Å; K386-R390 WeakPolarHBondContact O-CG 3.26Å; K386-R390 PolarHBondContact O-N 2.85Å
387K88.3Confident86.6Confident147 Ų14795.7 Ų95.764%0.63946%0.457SS*.Hα-helixtrans-71.9-40.4174.8-170.8173.9-177.7176.90111.8A383 K384 I385 R390 R391A383-K387 WeakPolarHBondContact O-CB 3.21Å; A383-K387 PolarHBondContact O-N 3.44Å; K384-K387 PolarHBondContact O-N 3.41Å; I385-K387 VanDerWaalsContact C-N 3.26Å; I385-K387 PolarHBondContact O-N 2.98Å; K387-R390 PolarHBondContact O-N 3.23Å; K387-R391 PolarHBondContact O-N 3.45Å; K387-R391 VanDerWaalsContact O-N 3.14Å
388L85.1Confident85.4Confident80 Ų8099.7 Ų99.742%0.41948%0.478SS..Hα-helixtrans-64.8-48.2177.1-172.662.9000111.5K384 I385 R390 R391 H392K384-L388 PolarHBondContact O-N 3Å; I385-L388 PolarHBondContact O-N 3.02Å; I385-L388 VanDerWaalsContact O-N 3.16Å; L388-R390 VanDerWaalsContact C-N 3.3Å; L388-R390 PolarHBondContact O-N 3.41Å; L388-R391 WeakPolarHBondContact O-CB 3.36Å; L388-R391 PolarHBondContact O-N 3Å; L388-H392 PolarHBondContact O-CD2 2.9Å; L388-H392 PolarHBondContact O-N 3.42Å
389A83.2Confident84Confident59 Ų59105.2 Ų105.249%0.48850%0.504SS..Hα-helixtrans-58.9-38.8176.500000112.9I385 A393I385-A389 PolarHBondContact O-N 2.63Å; A389-A393 WeakPolarHBondContact O-CB 3.5Å; A389-A393 PolarHBondContact O-N 3.33Å
390R82.2Confident82.4Confident163 Ų163103 Ų10362%0.61550%0.499SS*.Hα-helixtrans-64.6-36.8173.9-79.2174.9171-168.7-6.2112.9K386 K387 L388 A393 Q394K386-R390 VanDerWaalsContact O-CG 3.31Å; K386-R390 WeakPolarHBondContact O-CG 3.26Å; K386-R390 PolarHBondContact O-N 2.85Å; K387-R390 PolarHBondContact O-N 3.23Å; L388-R390 VanDerWaalsContact C-N 3.3Å; L388-R390 PolarHBondContact O-N 3.41Å; R390-A393 PolarHBondContact O-N 2.84Å; R390-Q394 WeakPolarHBondContact O-CG 3.14Å; R390-Q394 PolarHBondContact O-N 3.47Å; R390-Q394 VanDerWaalsContact O-N 3.12Å
391R83.5Confident80.6Confident127 Ų127103.1 Ų103.148%0.47950%0.5SS..Hα-helixtrans-66.6-50.4177.3-167.9-167.6-71.2153.2-9.2110.7K387 L388 A393 Q394 E395K387-R391 PolarHBondContact O-N 3.45Å; K387-R391 VanDerWaalsContact O-N 3.14Å; L388-R391 WeakPolarHBondContact O-CB 3.36Å; L388-R391 PolarHBondContact O-N 3Å; R391-A393 VanDerWaalsContact C-N 3.26Å; R391-A393 PolarHBondContact O-N 2.61Å; R391-Q394 WeakPolarHBondContact O-CA 3.41Å; R391-Q394 WeakPolarHBondContact O-CB 3.11Å; R391-Q394 PolarHBondContact O-N 3.41Å; R391-E395 VanDerWaalsContact CD-OE1 3.25Å; R391-E395 WeakPolarHBondContact CD-OE1 3.24Å; R391-E395 VanDerWaalsContact CG-OE1 3.25Å; R391-E395 WeakPolarHBondContact CG-OE1 3.33Å; R391-E395 WeakPolarHBondContact O-CG 3.44Å; R391-E395 PolarHBondContact O-N 2.8Å
392H83Confident78.9Confident103 Ų103109.6 Ų109.648%0.47752%0.522SS..Hα-helixtrans-59-36.2175.7-68.1-50.5000113L388 Q394 E395 S396L388-H392 PolarHBondContact O-CD2 2.9Å; L388-H392 PolarHBondContact O-N 3.42Å; H392-Q394 VanDerWaalsContact C-N 3.31Å; H392-Q394 PolarHBondContact O-N 3.46Å; H392-E395 WeakPolarHBondContact CA-OE2 3.4Å; H392-E395 IonicContact CE1-OE2 3.21Å; H392-E395 IonicContact CG-OE2 2.74Å; H392-E395 IonicContact ND1-OE2 3.87Å; H392-E395 PolarHBondContact ND1-OE2 3.41Å; H392-E395 PolarHBondContact O-N 3.01Å; H392-S396 WeakPolarHBondContact O-CB 3.36Å; H392-S396 PolarHBondContact O-N 2.86Å; H392-S396 PolarHBondContact O-OG 2.89Å
393A79.3Confident77Confident49 Ų49114.5 Ų114.541%0.40554%0.541SS..Hα-helixtrans-70.7-21.9174.400000114.3A389 R390 R391 S396 R397A389-A393 WeakPolarHBondContact O-CB 3.5Å; A389-A393 PolarHBondContact O-N 3.33Å; R390-A393 PolarHBondContact O-N 2.84Å; R391-A393 VanDerWaalsContact C-N 3.26Å; R391-A393 PolarHBondContact O-N 2.61Å; A393-S396 PolarHBondContact O-OG 2.93Å; A393-R397 WeakPolarHBondContact O-CG 3.39Å
394Q79.5Confident75Confident125 Ų125119.7 Ų119.758%0.58456%0.557SS**Hα-helixtrans-82.5-41.9171-74.8176.5-39.600111.1R390 R391 H392 R397 Q398R390-Q394 WeakPolarHBondContact O-CG 3.14Å; R390-Q394 PolarHBondContact O-N 3.47Å; R390-Q394 VanDerWaalsContact O-N 3.12Å; R391-Q394 WeakPolarHBondContact O-CA 3.41Å; R391-Q394 WeakPolarHBondContact O-CB 3.11Å; R391-Q394 PolarHBondContact O-N 3.41Å; H392-Q394 VanDerWaalsContact C-N 3.31Å; H392-Q394 PolarHBondContact O-N 3.46Å; Q394-R397 PolarHBondContact O-N 2.98Å; Q394-Q398 WeakPolarHBondContact O-CG 3.49Å; Q394-Q398 PolarHBondContact O-N 3.28Å
395E78.2Confident72.9Confident87 Ų87119.8 Ų119.841%0.40756%0.564SS.*Hα-helixtrans-60.1-46.3176.1-70.7161.3178.200111.3R391 H392 R397 Q398 Q399R391-E395 VanDerWaalsContact CD-OE1 3.25Å; R391-E395 WeakPolarHBondContact CD-OE1 3.24Å; R391-E395 VanDerWaalsContact CG-OE1 3.25Å; R391-E395 WeakPolarHBondContact CG-OE1 3.33Å; R391-E395 WeakPolarHBondContact O-CG 3.44Å; R391-E395 PolarHBondContact O-N 2.8Å; H392-E395 WeakPolarHBondContact CA-OE2 3.4Å; H392-E395 IonicContact CE1-OE2 3.21Å; H392-E395 IonicContact CG-OE2 2.74Å; H392-E395 IonicContact ND1-OE2 3.87Å; H392-E395 PolarHBondContact ND1-OE2 3.41Å; H392-E395 PolarHBondContact O-N 3.01Å; E395-R397 PolarHBondContact O-N 2.85Å; E395-Q398 PolarHBondContact O-N 2.8Å; E395-Q399 PolarHBondContact O-N 3.44Å
396S74.4Confident71.1Confident70 Ų70121.8 Ų121.849%0.4958%0.575SS.*Hα-helixtrans-63.7-38.7178.665.30000113.1H392 A393 Q399 S400H392-S396 WeakPolarHBondContact O-CB 3.36Å; H392-S396 PolarHBondContact O-N 2.86Å; H392-S396 PolarHBondContact O-OG 2.89Å; A393-S396 PolarHBondContact O-OG 2.93Å; S396-Q399 PolarHBondContact O-N 3.32Å; S396-S400 PolarHBondContact O-N 3.05Å; S396-S400 PolarHBondContact O-OG 2.87Å
397R73.3Confident68.8Low187 Ų187122 Ų12271%0.70658%0.582SS**Hα-helixtrans-66.2-37.8173.2-75.5-179177.9-152.2-1112.9A393 Q394 E395 Q399 S400 N401A393-R397 WeakPolarHBondContact O-CG 3.39Å; Q394-R397 PolarHBondContact O-N 2.98Å; E395-R397 PolarHBondContact O-N 2.85Å; R397-Q399 VanDerWaalsContact C-N 3.32Å; R397-S400 WeakPolarHBondContact CA-OG 3.39Å; R397-S400 PolarHBondContact O-OG 2.7Å; R397-N401 WeakPolarHBondContact O-CB 3.49Å; R397-N401 VanDerWaalsContact O-CG 3.27Å; R397-N401 PolarHBondContact O-N 3.36Å; R397-N401 PolarHBondContact O-OD1 3.28Å
398Q70.9Confident66.3Low129 Ų129122.4 Ų122.460%0.60359%0.591SS**Hα-helixtrans-67-37.2174.2-71.3178.926.700111.2Q394 E395 N401 R402Q394-Q398 WeakPolarHBondContact O-CG 3.49Å; Q394-Q398 PolarHBondContact O-N 3.28Å; E395-Q398 PolarHBondContact O-N 2.8Å; Q398-N401 PolarHBondContact O-N 3Å; Q398-R402 PolarHBondContact O-N 3.12Å
399Q68.5Low63.9Low117 Ų117124.3 Ų124.355%0.54761%0.609SS.*Hα-helixtrans-75.3-32.8179.1-157.8165.924.100113.2E395 S396 R397 R403E395-Q399 PolarHBondContact O-N 3.44Å; S396-Q399 PolarHBondContact O-N 3.32Å; R397-Q399 VanDerWaalsContact C-N 3.32Å; Q399-R403 PolarHBondContact O-N 3.05Å
400S59.2Low61.5Low55 Ų55128.9 Ų128.939%0.38562%0.622SS.*Hα-helixtrans-65.1-44.416962.90000111.4S396 R397 R402 R403 M404S396-S400 PolarHBondContact O-N 3.05Å; S396-S400 PolarHBondContact O-OG 2.87Å; R397-S400 WeakPolarHBondContact CA-OG 3.39Å; R397-S400 PolarHBondContact O-OG 2.7Å; S400-R402 PolarHBondContact O-N 3.46Å; S400-R403 PolarHBondContact O-N 2.99Å; S400-R403 VanDerWaalsContact O-N 3.15Å; S400-M404 WeakPolarHBondContact O-CG 3.32Å; S400-M404 PolarHBondContact O-N 3.41Å
401N58.1Low59.4Low104 Ų104128.8 Ų128.856%0.55663%0.632SS**Hα-helixtrans-66.2-37.2178.5-71.77.3000112R397 Q398 M404 L405R397-N401 WeakPolarHBondContact O-CB 3.49Å; R397-N401 VanDerWaalsContact O-CG 3.27Å; R397-N401 PolarHBondContact O-N 3.36Å; R397-N401 PolarHBondContact O-OD1 3.28Å; Q398-N401 PolarHBondContact O-N 3Å; N401-M404 PolarHBondContact O-N 3.49Å; N401-L405 WeakPolarHBondContact O-CG 3.44Å; N401-L405 PolarHBondContact O-N 3.25Å
402R57.2Low56.9Low189 Ų189128.3 Ų128.371%0.71364%0.639SS**Hα-helixtrans-64.7-35.7171-78.2-165.8-175.1-147.95.2113.1Q398 S400 L405Q398-R402 PolarHBondContact O-N 3.12Å; S400-R402 PolarHBondContact O-N 3.46Å; R402-L405 PolarHBondContact O-N 3.26Å
403R54.8Low54.4Low187 Ų187130.4 Ų130.471%0.70665%0.654SS**Hα-helixtrans-71.2-33176.8-82.1-178.4168.4150.1-0.8113.3Q399 S400 L405Q399-R403 PolarHBondContact O-N 3.05Å; S400-R403 PolarHBondContact O-N 2.99Å; S400-R403 VanDerWaalsContact O-N 3.15Å; R403-L405 VanDerWaalsContact C-N 3.27Å; R403-L405 PolarHBondContact O-N 2.97Å
404M49.2Very low52Low163 Ų163137 Ų13780%0.80368%0.676SS**Hα-helixtrans-71.1-18.4175.5-68.9-61.4-159.200113.9S400 N401S400-M404 WeakPolarHBondContact O-CG 3.32Å; S400-M404 PolarHBondContact O-N 3.41Å; N401-M404 PolarHBondContact O-N 3.49Å
405L48.4Very low49.7Very low150 Ų150136.1 Ų136.179%0.78568%0.681SS**THydrogen-bonded Turntrans-92.41.7-177.5-75168.2000114.8N401 R402 R403N401-L405 WeakPolarHBondContact O-CG 3.44Å; N401-L405 PolarHBondContact O-N 3.25Å; R402-L405 PolarHBondContact O-N 3.26Å; R403-L405 VanDerWaalsContact C-N 3.27Å; R403-L405 PolarHBondContact O-N 2.97Å
406I49.9Very low47.2Very low133 Ų133140.9 Ų140.968%0.68271%0.705SS**THydrogen-bonded Turntrans-111.9-19.4-172.5-66.5174.3000113.2
407N39.2Very low45.1Very low137 Ų137145.3 Ų145.373%0.73372%0.722SS**SBendtrans-122.974.4-178.2-75.613.7000112.8
408N36.1Very low42.8Very low156 Ų156145.5 Ų145.583%0.83472%0.723SS**  trans-162.3104.5153.6-122.42.5000112.7
409P34.6Very low40.8Very low121 Ų121147 Ų14779%0.78673%0.733SS**  trans-71.5155.8161.8-9.526.7000111.1
410M32.3Very low38.7Very low154 Ų154148 Ų14876%0.75974%0.738SS**  trans-70.9156.9-173.7-51.7177.681.600113.8
411I37.4Very low37.1Very low161 Ų161151 Ų15183%0.82676%0.759SS**  169.396.5117.3-82.2153.4000111.4
412N30.9Very low35.7Very low117 Ų117150.6 Ų150.663%0.62676%0.762SS**  33131.2127.7-61.91.9000123.9
413N30.2Very low34.3Very low148 Ų148149 Ų14979%0.79177%0.767SS**  trans73.4121.3142.6-51.1-9.6000118
414E29.8Very low33.1Very low188 Ų188145.3 Ų145.388%0.87977%0.77SS**  -159.5174.464.2-105.4-145.4104.700114.3
415P31.4Very low32.1Very low105 Ų105145.4 Ų145.468%0.68277%0.771SS**PPolyproline II helixtrans-102.1166.2-156.639.5-36.7000117.7
416M24.6Very low31.2Very low187 Ų187146.5 Ų146.592%0.92178%0.777SS**PPolyproline II helixtrans-70.8138.4174.6-62.4165.563.600113.3
417I31.2Very low30Very low164 Ų164149.2 Ų149.284%0.84178%0.784SS**PPolyproline II helixtrans-97.6125164.8-66.1175.3000109.7
418R24.4Very low29.4Very low191 Ų191149.7 Ų149.772%0.72179%0.786SS**PPolyproline II helixtrans-100.5134.6172.7171.6-167.1-95.3-165.34.8109.1Q420R418-Q420 HydrophobicContact CG-CG 4Å
419I28.2Very low28.9Very low160 Ų160149.2 Ų149.282%0.82178%0.783SS**  trans-117.1122157.4-59-179.8000107.9
420Q24.9Very low28.6Very low139 Ų139154.4 Ų154.465%0.6579%0.787SS**  trans-124.6145.2169.1-81.4-178.5-3200108.3R418R418-Q420 HydrophobicContact CG-CG 4Å
421S25.1Very low28.4Very low118 Ų118154.1 Ų154.183%0.82579%0.789SS**  trans-142.2140.2170.8-1600000107.6
422P30.4Very low27.9Very low95 Ų95152.1 Ų152.162%0.61779%0.786SS**  -133.7174.5-121.740.9-25.9000117.3
423N26.9Very low27.8Very low154 Ų154152.2 Ų152.282%0.82479%0.791SS**  trans75111.8156.6-56.1-33.1000120.2
424S29.8Very low27.9Very low111 Ų111151.7 Ų151.778%0.77679%0.787SS**  176.888.3121.2-168.70000110.3
425M28.4Very low28Very low165 Ų165147 Ų14781%0.81378%0.775SS**  80.291.699.8-65-106.4-8500116.1
426L29Very low27.9Very low173 Ų173148.5 Ų148.591%0.90678%0.777SS**  168.8140.1113.3-88.3168.9000112.4
427F24.7Very low28.3Very low189 Ų189147 Ų14783%0.82977%0.771SS**  trans-103.3148.1-176.6-75.3-102.7000112.3
428N26.7Very low28.4Very low148 Ų148144.9 Ų144.979%0.79177%0.768SS**  -175.3119.3117.3-94.7-39.3000114.7
429L25.9Very low28.6Very low146 Ų146145.3 Ų145.376%0.76477%0.771SS**  trans34.2108.5150.7-75.870.4000120.5
430R28.6Very low28.7Very low229 Ų229145.6 Ų145.686%0.86477%0.774SS**  177.9140.292.5-111.5173.1170.5154.1-2.3115.7
431N27.9Very low28.9Very low149 Ų149147.6 Ų147.680%0.79778%0.776SS**  trans75.9146158.8-70.94.7000119.6
432P27.6Very low29.1Very low118 Ų118151.2 Ų151.277%0.76678%0.777SS**  trans-104.8164-146.122.9-5.3000115
433T29.1Very low29Very low119 Ų119151.9 Ų151.973%0.7378%0.78SS**  trans-70.9130.6-175.7450000113.3S435T433-S435 PolarHBondContact O-N 2.96Å
434I32.1Very low29.2Very low138 Ų138151 Ų15171%0.70878%0.779SS**  trans-85.486.4163.7-62.6178.3000107.5
435S30.1Very low29.1Very low90 Ų90152.3 Ų152.363%0.62978%0.778SS**  trans-126.341.4168.360.60000109.6T433T433-S435 PolarHBondContact O-N 2.96Å
436D31.2Very low29.1Very low135 Ų135151.4 Ų151.472%0.72278%0.776SS**  trans-154.2144.6177.4-85.3-53.7000109
437I32.8Very low29.2Very low155 Ų155149.4 Ų149.480%0.79578%0.776SS**SBendtrans105.9126.2174.7-59162.6000113.9
438P31.7Very low29.5Very low121 Ų121148.4 Ų148.479%0.78677%0.774SS**  trans-93.8145.1-143.8-9.429.7000115.9
439Y29.3Very low29.7Very low199 Ų199148.4 Ų148.478%0.7877%0.774SS**  trans-69131.2162.3-65.6-93.6000110.8Y441Y439-Y441 HydrophobicContact CD1-CE2 4.35Å
440L29.9Very low29.8Very low167 Ų167149.2 Ų149.287%0.87478%0.777SS**  trans-129.188.8155.2-82.6179.1000109K442L440-K442 PolarHBondContact O-N 2.81Å
441Y29Very low29.9Very low180 Ų180143.8 Ų143.871%0.70677%0.769SS**  trans-66118.7154.3-84.9-92.5000108.1Y439Y439-Y441 HydrophobicContact CD1-CE2 4.35Å
442K30.8Very low30.1Very low194 Ų194141.7 Ų141.784%0.84377%0.766SS**  trans-112.5105.9144.2-89.8-169.8172.2-174.70106.9L440 V444L440-K442 PolarHBondContact O-N 2.81Å; K442-V444 PolarHBondContact O-N 3.36Å
443T28.4Very low30.2Very low110 Ų110141.9 Ų141.968%0.67577%0.765SS**  trans-58.8126.7162.939.20000108.6
444V30Very low30.3Very low134 Ų134145 Ų14581%0.81277%0.771SS**  trans-135.696154.6-98.90000105.4K442 N446K442-V444 PolarHBondContact O-N 3.36Å; V444-N446 PolarHBondContact O-N 2.93Å
445D29Very low30.2Very low140 Ų140144.9 Ų144.975%0.74977%0.772SS**  trans-60.9104.2166.2-56.3-74.9000107.8
446N28.5Very low30.3Very low145 Ų145149.4 Ų149.478%0.77578%0.783SS**  trans16791.6153.2-87-19.3000110.4V444V444-N446 PolarHBondContact O-N 2.93Å
447C29.7Very low30.4Very low132 Ų132148.3 Ų148.389%0.89278%0.783SS**  trans-148.394.6154.1-930000107.4
448Q31.3Very low30.1Very low168 Ų168148.2 Ų148.279%0.78578%0.783SS**  trans-59.9148166.4-83.9119.2-30.400110.7I450Q448-I450 PolarHBondContact O-N 2.94Å
449D30.2Very low30.2Very low148 Ų148150 Ų15079%0.79179%0.785SS**  trans-61.2104.1171.6-72.4-60.5000110.8T451D449-T451 PolarHBondContact O-N 3.1Å
450I28.1Very low30.2Very low162 Ų162148 Ų14883%0.83178%0.784SS**  trans-79.171.1170.3-51.2180000108.6Q448Q448-I450 PolarHBondContact O-N 2.94Å
451T31.2Very low30.5Very low115 Ų115147.4 Ų147.471%0.70678%0.781SS**  trans-140.253.1170.658.50000112.6D449D449-T451 PolarHBondContact O-N 3.1Å
452S31.9Very low30.7Very low105 Ų105146.6 Ų146.673%0.73479%0.789SS**  trans-160.9102.2155.154.20000110.3
453V30.1Very low30.8Very low122 Ų122143 Ų14374%0.73979%0.785SS**  trans-88.9102.2167.6178.20000107.4
454H31.5Very low31Very low186 Ų186145.3 Ų145.386%0.86179%0.793SS**  trans-116.4115.4158.5-100.4-66.2000108
455N29.8Very low31.2Very low135 Ų135146.7 Ų146.772%0.72279%0.791SS**  trans-81.6128.5172.4-60.4-33.5000108.6
456E31Very low31.4Very low184 Ų184144 Ų14486%0.8678%0.783SS**  trans-145.4147.7151.4-92-62.9113.300106.9
457P33.6Very low31.5Very low112 Ų112144 Ų14473%0.72778%0.783SS**  trans-86.8163.9-163.234-35.2000115.1
458I27.6Very low31.7Very low154 Ų154146.8 Ų146.879%0.7978%0.779SS**  trans-71.1144.9-175.1-60.4156.3000111.8E460I458-E460 HydrophobicContact CG2-CG 3.97Å
459N33.2Very low31.8Very low157 Ų157144.7 Ų144.784%0.8478%0.778SS**  trans-134.8125.4147.3-165.521.1000109.6
460E29.6Very low31.8Very low159 Ų159149.3 Ų149.374%0.74379%0.785SS**  trans-84.3143.9178.4-59.6175.5133.800109.9I458I458-E460 HydrophobicContact CG2-CG 3.97Å
461N36.2Very low31.9Very low153 Ų153149.4 Ų149.482%0.81878%0.784SS**  trans163.593.8149.4-85.6-39.6000110.1
462D34Very low31.8Very low164 Ų164150.5 Ų150.588%0.87778%0.784SS**  174.8123.6124.8-105.9-32000110.7
463P32.1Very low31.5Very low117 Ų117150.2 Ų150.276%0.7678%0.782SS**  trans-116.6107.2171.735.3-21.5000111.7
464D33.3Very low31.2Very low159 Ų159151.4 Ų151.485%0.8578%0.783SS**  trans-156.9163156.9-132.9-24.8000116.5
465E34.1Very low30.9Very low163 Ų163148.8 Ų148.876%0.76278%0.78SS**  trans52.398.2166.7-61.1-151.710700118.5
466S32.2Very low30.8Very low84 Ų84148.1 Ų148.159%0.58778%0.781SS**  cis91136.846.695.40000116
467L31.6Very low30.7Very low146 Ų146144.2 Ų144.276%0.76477%0.774SS**  trans59.9103.7148.6-64.5165.4000119.8
468K33.8Very low30.5Very low189 Ų189145.1 Ų145.182%0.82278%0.781SS**  -172.9142.490.8-105.6152.5-173.41660117.8
469T33.7Very low30.6Very low124 Ų124143 Ų14376%0.76178%0.781SS**  trans79.984.5151.1-43.70000119.9
470R29.9Very low31Very low246 Ų246141 Ų14193%0.92878%0.776SS**  trans-85135.3132.9-77.2174.9164177.1-4.7109
471M30.6Very low31.4Very low163 Ų163138.8 Ų138.880%0.80378%0.775SS**  trans-164.8128.1151.1-79.7-139.2176.600106.8
472I27.6Very low31Very low139 Ų139141 Ų14171%0.71378%0.778SS**  cis106.9135.746.9-80.8166.6000110.6
473S25.6Very low31Very low98 Ų98141.2 Ų141.269%0.68578%0.777SS**  trans69.1127.4165.5-74.50000118.2
474L25Very low30.9Very low148 Ų148144 Ų14478%0.77578%0.78SS**  92.1136.653.3-86.2164.5000112.9
475V25.5Very low30.8Very low130 Ų130143.5 Ų143.579%0.78878%0.776SS**  trans61.8151.4172.7-50.20000115.8
476T27.6Very low31Very low122 Ų122140.3 Ų140.375%0.74877%0.769SS**  cis-151.4166.19.3-23.80000110.7
477S28.5Very low31Very low102 Ų102145.1 Ų145.171%0.71378%0.782SS**  trans-55.6149.4169.952.50000115.7
478C28.7Very low31Very low130 Ų130142 Ų14288%0.87878%0.777SS**  trans-166.3133.3136.3-106.60000112.7
479S29.5Very low31.1Very low111 Ų111139.5 Ų139.578%0.77677%0.773SS**  trans-118.9-176.2173.9-49.70000109.8
480P41.1Very low31.1Very low115 Ų115141.6 Ų141.675%0.74777%0.774SS**  cis-110-89.8-37.6194.3000109.4
481P39.1Very low31.4Very low111 Ų111138 Ų13872%0.72177%0.77SS**  cis-103.3170.4-1840.8-31.4000114.3
482F28.2Very low31.6Very low201 Ų201138.3 Ų138.388%0.88277%0.769SS**  trans-88.9150.5161.4-89.4-115.7000110.5
483I32.7Very low32Very low167 Ų167138.4 Ų138.486%0.85677%0.771SS**  trans-131.5137.5156.5-65-176.3000109.4
484H31.2Very low32.8Very low177 Ų177138 Ų13882%0.81977%0.766SS**  trans-102.2149.2-172.4-151.6-85.4000111.5
485I30Very low33.3Very low148 Ų148141.2 Ų141.276%0.75977%0.77SS**  trans-76.3175.4172.2-8.6170.8000109.6
486P38.5Very low34.2Very low95 Ų95140.9 Ų140.962%0.61777%0.77SS**  cis-151.2-170.716.845.3-23.4000119.5
487Q31.7Very low34.9Very low186 Ų186139.8 Ų139.887%0.86977%0.765SS**  trans67.8143.8150.3-76.1161.22.700118.8
488A32Very low35.3Very low80 Ų80142.1 Ų142.166%0.66177%0.769SS**  cis-165.9174.336.500000113.8
489N36.8Very low35.8Very low136 Ų136143.6 Ų143.673%0.72777%0.767SS**  trans71.2142.4160.4-58.9-21.5000118.8
490Q33.5Very low36.2Very low169 Ų169143.4 Ų143.479%0.7976%0.763SS**  cis151.4125.8-15.8-105.6-17481.500105.4
491M35.5Very low35.8Very low169 Ų169147.7 Ų147.783%0.83377%0.766SS**  trans160.2104153.2-90.3169.479.700107.4
492E35.9Very low35.7Very low170 Ų170149.9 Ų149.979%0.79477%0.77SS**  72.5136.893.9-75.6-169.2162.400113.9
493N36.1Very low35.8Very low142 Ų142144.4 Ų144.476%0.75976%0.756SS**  cis-175.1-156.8-10.3-148.75000105.4
494P41.5Very low36Very low89 Ų89142.8 Ų142.858%0.57875%0.754SS**  -133.5162.9-101.338-19000120.9
495Y35.6Very low36.3Very low215 Ų215138.5 Ų138.584%0.84375%0.75SS**  trans58.8176.7148.4-83.2-65.5000119.2
496P43.6Very low36.4Very low124 Ų124136.7 Ų136.781%0.80575%0.75SS**  cis-130.1-179.98.128.8-3.3000118.2
497P43.8Very low36.3Very low98 Ų98142 Ų14264%0.63676%0.764SS**  trans-116.3176.6-170.942.9-33.5000116.5
498N37.1Very low36.4Very low151 Ų151137 Ų13781%0.80775%0.754SS**  trans165.5152.2150.1-91.4-65.1000108
499I38.6Very low36.6Very low162 Ų162140.7 Ų140.783%0.83176%0.759SS**  -162.614654.2-66.5162.1000110.1
500P37.3Very low36.5Very low107 Ų107140.1 Ų140.170%0.69575%0.752SS**  trans-132.9140.3164.938.1-23.9000116.4
501Y33.8Very low36.5Very low205 Ų205140.2 Ų140.280%0.80475%0.75SS**  trans-179.4157.4149.2-125.5-121.4000108.2
502I35.7Very low36.4Very low157 Ų157138 Ų13881%0.80575%0.751SS**  -150.3148.654.6-71.2171.2000111.5
503S31.4Very low36.1Very low85 Ų85135.4 Ų135.459%0.59475%0.752SS**  trans-109.2157.3174.4-64.40000113.5
504T37Very low35.9Very low133 Ų133136.8 Ų136.882%0.81676%0.758SS**  trans-177.3119.914226.60000107.8
505A35.9Very low35.2Very low88 Ų88138.4 Ų138.473%0.72777%0.767SS**  68.1142.85700000114.1
506S33.9Very low35Very low109 Ų109138 Ų13876%0.76277%0.77SS**  cis179.4146.4-18.4-91.30000108.2
507K35.4Very low34.1Very low208 Ų208136 Ų13690%0.90476%0.758SS**  trans142159.5149.8-82.9165.1177.8178.60113.4
508A34Very low33.4Very low79 Ų79136.7 Ų136.765%0.65376%0.761SS**  cis176.9166.5-3600000109.3
509M35.4Very low33.2Very low159 Ų159137.9 Ų137.978%0.78376%0.761SS**  trans77.4144.3161.4-53175.981.700117.4
510E34.7Very low32.7Very low123 Ų123137.1 Ų137.158%0.57576%0.755SS**  cis-160.3148.6-11.9-114.4-175.716900113.4
511K33.9Very low32.5Very low172 Ų172138.4 Ų138.475%0.74876%0.755SS**  trans37.1126.4142.8-62.7161-178.2160.80122
512S34.1Very low32.2Very low122 Ų122137.9 Ų137.985%0.85376%0.757SS**  -167.2126.410858.50000112.6
513S29.6Very low32.3Very low115 Ų115135.6 Ų135.680%0.80475%0.752SS**  trans-83.1158.8173.4-43.70000111.8
514L31Very low32.3Very low172 Ų172138 Ų13890%0.90177%0.768SS**  -174.3157.1125-99.6167.8000112.4
515T26.6Very low31.9Very low123 Ų123139 Ų13976%0.75577%0.767SS**  trans-116.5145.4-168.650.20000112
516F31.6Very low31.5Very low206 Ų206141.4 Ų141.490%0.90477%0.768SS**  trans-161172.1135.3-148-108.3000113
517S26.4Very low31.5Very low81 Ų81141.6 Ų141.657%0.56677%0.769SS**  trans-124.3164.7-161.5-147.40000114.1
518T27.3Very low31.2Very low114 Ų114137.3 Ų137.370%0.69976%0.76SS**  trans50.1119.5151.551.10000121.7
519H33.4Very low31Very low175 Ų175139.5 Ų139.581%0.8177%0.77SS**  177.8124.8122.2-108.1-106000106.9
520E28.6Very low30.7Very low147 Ų147137.1 Ų137.169%0.68776%0.764SS**  92.1145.566-93.7-71.1179.500114.8
521L32.8Very low30.5Very low134 Ų134138.4 Ų138.470%0.70278%0.775SS**  trans76101.4165.2-55.5176.9000124.4
522F28.3Very low30.5Very low193 Ų193134.9 Ų134.985%0.84677%0.772SS**  59.6157122.3-80.8-94.2000124.1
523P37.2Very low30.3Very low109 Ų109138.4 Ų138.471%0.70877%0.772SS**  trans-106.3170.9-165.642-33.6000114.8
524C31.1Very low30.4Very low136 Ų136138.2 Ų138.292%0.91977%0.77SS**  trans-134.4158.3172.4-87.50000114.4
525L28.7Very low30.5Very low153 Ų153135.1 Ų135.180%0.80176%0.763SS**  trans-97.5169.2-165.4-80.1140.5000114.8
526N28.6Very low30.7Very low139 Ų139133.9 Ų133.974%0.74376%0.759SS**  trans71.5130.3149.5-64.5-19.7000120.3
527S32.7Very low30.6Very low114 Ų114131 Ų13180%0.79775%0.753SS**  -146.8132.8115.7-157.80000111.2
528V28.6Very low30.5Very low118 Ų118134.9 Ų134.972%0.71577%0.766SS**  trans-109.7129.2174169.20000107.4T530V528-T530 HydrophobicContact CG1-CG2 4.22Å
529C31.6Very low30.5Very low125 Ų125133.7 Ų133.785%0.84576%0.762SS**  trans-108.5124.3169.5-71.40000110.4
530T28.5Very low30.2Very low108 Ų108133.6 Ų133.666%0.66376%0.762SS**  trans-101.5177.2178.349.80000111.5V528V528-T530 HydrophobicContact CG1-CG2 4.22Å
531N30.3Very low30.1Very low151 Ų151132.7 Ų132.781%0.80777%0.766SS**  trans82.1144.2168.3-61.2-24.3000117.5
532S33.5Very low29.8Very low97 Ų97129.9 Ų129.968%0.67876%0.763SS**  cis-172.7137.7-15.848.30000114
533K29.3Very low29.6Very low197 Ų197129.5 Ų129.586%0.85776%0.761SS**  trans62.8154.8139.4-67.8-179.6178178.70123.1
534S33.1Very low29.1Very low110 Ų110130.1 Ų130.177%0.76976%0.763SS**  trans81.1111.2160.577.20000115.3
535S32.1Very low28.9Very low108 Ų108129.1 Ų129.176%0.75576%0.755SS**  98.8144.263.565.40000110.9
536S30.1Very low28.8Very low96 Ų96130 Ų13067%0.67176%0.759SS**  cis179.1169.7-5.543.90000109.3
537L30Very low28.7Very low146 Ų146129.1 Ų129.176%0.76476%0.758SS**  trans79.2124.2167.4-47.9178.3000115.1
538L25Very low28.4Very low162 Ų162128.6 Ų128.685%0.84876%0.755SS**  61.2133.875.7-62.9174.5000112.1
539S27.7Very low28.5Very low89 Ų89128.1 Ų128.162%0.62276%0.757SS**  cis-157.6151.915.453.40000110.8
540E27.3Very low28.3Very low173 Ų173127.4 Ų127.481%0.80875%0.753SS**  102.7138.3108.1-93.9171.2164.700117.2
541V25.8Very low28.4Very low128 Ų128129.7 Ų129.778%0.77676%0.76SS**  trans7.3153.4156.3-91.80000121.7
542A25.6Very low28.2Very low76 Ų76128.5 Ų128.563%0.62876%0.758SS**  cis-168.5163.918.700000113
543F25.5Very low28Very low184 Ų184130.8 Ų130.881%0.80776%0.762SS**  trans20.5144.3143.8-64.2-100.1000121
544T25.2Very low28.2Very low122 Ų122126.3 Ų126.375%0.74876%0.755SS**  cis-168.4167.6-2.813.40000109.3
545P26.8Very low28Very low116 Ų116127.8 Ų127.875%0.75375%0.754SS**  trans-100.3153.4-171.638.4-33.7000115.5
546I28.6Very low28Very low172 Ų172130.3 Ų130.388%0.88276%0.759SS**  trans-136.8161.2159.7-58.6-176.5000109.4
547T25.3Very low28.1Very low119 Ų119132.1 Ų132.173%0.7376%0.762SS**  trans-95.2170.4-149.453.50000117.6
548S26.7Very low28.4Very low103 Ų103131.2 Ų131.272%0.7277%0.767SS**  trans84138.9134.153.60000121.9
549S30.8Very low28.8Very low109 Ų109129.1 Ų129.176%0.76276%0.757SS**  trans9888.9150.3-56.70000120.1
550S27.4Very low29.2Very low109 Ų109133.1 Ų133.176%0.76277%0.771SS**  67132.2109.5-86.60000123.5
551L30Very low29.6Very low156 Ų156131.3 Ų131.382%0.81777%0.767SS**  trans81.8102.6152.5-54.9161.5000118.1
552V27Very low30.2Very low126 Ų126133.3 Ų133.376%0.76477%0.773SS**  72.7138.996.8-154.10000115.8
553I29.6Very low30.8Very low146 Ų146134.6 Ų134.675%0.74978%0.778SS**  trans123.6107.5147.1-61.5-177.5000116
554S31.7Very low31.1Very low102 Ų102133.5 Ų133.571%0.71378%0.779SS**  trans71.7118.2144.4-630000124
555N29.4Very low31.9Very low142 Ų142133.5 Ų133.576%0.75978%0.781SS**  27.2128.8121.9-651.6000119.7
556N33.5Very low32.2Very low161 Ų161134.1 Ų134.186%0.86178%0.778SS**  -161.5156.2100.6-102.2-33.5000114.8
557N30.8Very low32.6Very low134 Ų134133 Ų13372%0.71777%0.774SS**  trans-59.3156.5-179-73.9-31.8000114.4
558S37Very low33.1Very low126 Ų126133.3 Ų133.388%0.88177%0.771SS**  trans-143.4119.2135.8-77.70000109.7
559N33.9Very low33.7Very low119 Ų119135 Ų13564%0.63677%0.772SS**  trans-71.1154.4179.1-59.7-38.5000110.5
560N36.4Very low34Very low172 Ų172135.9 Ų135.992%0.9277%0.768SS**  trans-138.9120.8138.8-91.6-35.6000108.2
561N34.8Very low34.4Very low135 Ų135138.6 Ų138.672%0.72277%0.774SS**  trans-80.8147.4171.4-60.8-49.3000108.5
562D38.4Very low34.5Very low170 Ų170134.3 Ų134.391%0.90977%0.768SS**  trans-146.4146.8142.9-110-37.6000111.3
563S38.7Very low34.8Very low104 Ų104135.2 Ų135.273%0.72777%0.773SS**  trans-104146.5-153.9-60.10000114.4
564I31Very low34.8Very low161 Ų161136.7 Ų136.783%0.82678%0.777SS**  trans-63.9144.4166.3-61.9162.7000110.1
565P41.3Very low34.8Very low122 Ų122139.4 Ų139.479%0.79278%0.783SS**  trans-120.2138.1140.434.5-28.1000113.1
566N33.5Very low34.9Very low129 Ų129139.6 Ų139.669%0.6978%0.784SS**  trans-75.7146.8178.6-168.28000110.9
567N38.5Very low34.8Very low149 Ų149137.7 Ų137.780%0.79778%0.784SS**  trans-142.696.6166.5-1619.9000111.9
568N34.6Very low34.9Very low124 Ų124135.1 Ų135.166%0.66379%0.788SS**  trans-81.4134.8166.6-81.2-29.8000109.7
569N39.1Very low34.6Very low139 Ų139135 Ų13574%0.74378%0.783SS**  trans-166.697141.9-100.8-36.8000113.6
570N37.2Very low34.4Very low128 Ų128137.2 Ų137.268%0.68479%0.794SS**  47.8142.4124.9-68.7-19.9000123.5
571N37Very low34.2Very low166 Ų166132 Ų13289%0.88878%0.782SS**  trans74.8128.8164-46.3-34.2000114.7
572G30.6Very low34Very low66 Ų66131.1 Ų131.168%0.6879%0.786SS**  cis156.3172.84.500000109
573V34Very low33.8Very low144 Ų144128 Ų12887%0.87378%0.778SS**  trans86.6102.4-175.8-172.90000114.8
574E28.8Very low33.6Very low178 Ų178128 Ų12883%0.83277%0.773SS**  trans-68.5149159.3-55168.813600110.1
575N33.2Very low33.6Very low159 Ų159126.8 Ų126.885%0.8576%0.762SS**  trans-167.4150.1137.8-102.1-47.2000113.7
576N31.6Very low33.2Very low145 Ų145125 Ų12578%0.77575%0.746SS**  trans-72.2155.8-163.8-81.1-54.3000117.5
577S30.9Very low33.2Very low122 Ų122122.7 Ų122.785%0.85374%0.737SS**  trans63.8124.2139.263.60000120.7
578G31.7Very low33.1Very low79 Ų79118.5 Ų118.581%0.81472%0.719SS**  trans-172.380.5169.100000111.7
579T31Very low33.1Very low125 Ų125113.2 Ų113.277%0.76769%0.691SS**  trans-63.9146.3176.1490000112.4
580N29.9Very low33Very low164 Ų164108.8 Ų108.888%0.87767%0.667SS**  trans167.4124130.9-81.9-22.8000111.6
581G31.9Very low33.1Very low64 Ų64106 Ų10666%0.6665%0.649SS**  trans170.5-24.3171.700000117.6S583G581-S583 PolarHBondContact O-N 3.42Å
582S30.2Very low33.1Very low115 Ų115100.4 Ų100.480%0.80462%0.619SS**THydrogen-bonded Turntrans-95.720.1-156.3-44.10000117.9
583S35.1Very low33.6Very low106 Ų10698.7 Ų98.774%0.74159%0.592SS**THydrogen-bonded Turntrans-104.6-9-171.759.90000116.8G581G581-S583 PolarHBondContact O-N 3.42Å
584T34.9Very low33.6Very low102 Ų10295.6 Ų95.663%0.62658%0.577SS**SBendtrans-108-14.8-176.253.20000114.8
585F30.3Very low34.1Very low136 Ų13691.4 Ų91.460%0.59656%0.558SS**SBendtrans-83.4-39.5-176.7-112.7-97.1000113.6T587 S588F585-T587 PolarHBondContact O-N 3.37Å; F585-T587 VanDerWaalsContact O-N 3.12Å; F585-S588 WeakPolarHBondContact O-CB 3.47Å; F585-S588 PolarHBondContact O-N 3.32Å
586D33.4Very low34.4Very low84 Ų8489.6 Ų89.645%0.44955%0.545SS..Hα-helixtrans-57.9-29.7-177.8-103.2-37.3000113.5R57 S588 I589 N590R57-D586 IonicContact NH2-OD1 2.68Å; D586-S588 PolarHBondContact O-N 3.45Å; D586-I589 PolarHBondContact O-N 3.36Å; D586-I589 VanDerWaalsContact O-N 3.15Å; D586-N590 PolarHBondContact O-N 3.22Å
587T34.4Very low34.9Very low82 Ų8285.6 Ų85.650%0.50352%0.521SS..Hα-helixtrans-62.9-24.4178-37.70000113F585F585-T587 PolarHBondContact O-N 3.37Å; F585-T587 VanDerWaalsContact O-N 3.12Å
588S34.5Very low35.6Very low60 Ų6080.6 Ų80.642%0.4249%0.486SS..Hα-helixtrans-74.5-32.2178.1-59.90000112.1I121 F585 D586 K591I121-S588 VanDerWaalsContact CD1-O 3.27Å; I121-S588 WeakPolarHBondContact CD1-O 3.38Å; F585-S588 WeakPolarHBondContact O-CB 3.47Å; F585-S588 PolarHBondContact O-N 3.32Å; D586-S588 PolarHBondContact O-N 3.45Å; S588-K591 PolarHBondContact O-N 3.29Å
589I36.2Very low36Very low14 Ų1482.6 Ų82.67%0.07247%0.469CS..Hα-helixtrans-73.1-44.1-176.9-46-168.9000110.4R57 S77 D586 K591 L592 Y593R57-I589 VanDerWaalsContact NH2-CD1 3.26Å; S77-I589 VanDerWaalsContact OG-CD1 3.28Å; S77-I589 WeakPolarHBondContact OG-CD1 3.36Å; D586-I589 PolarHBondContact O-N 3.36Å; D586-I589 VanDerWaalsContact O-N 3.15Å; I589-K591 PolarHBondContact O-N 2.79Å; I589-L592 PolarHBondContact O-N 3.32Å; I589-Y593 HydrophobicContact CG2-CD2 3.92Å; I589-Y593 HydrophobicContact CG2-CE2 4.26Å; I589-Y593 PolarHBondContact O-N 2.84Å; I589-Y593 VanDerWaalsContact O-N 3.07Å
590N36Very low36.5Very low45 Ų4578.7 Ų78.724%0.24144%0.442CS..Hα-helixtrans-57.9-22.6176.7-62.7-9.6000112.8D586 Y593 S594 Q597D586-N590 PolarHBondContact O-N 3.22Å; N590-Y593 CarbonylContact O-C 3.53Å; N590-S594 VanDerWaalsContact O-CA 3.29Å; N590-S594 WeakPolarHBondContact O-CA 3.21Å; N590-S594 PolarHBondContact O-N 3.33Å; N590-Q597 VanDerWaalsContact CG-OE1 3.31Å; N590-Q597 PolarHBondContact ND2-OE1 3.47Å; N590-Q597 VanDerWaalsContact ND2-OE1 3.15Å; N590-Q597 PolarHBondContact OD1-NE2 2.85Å
591K40.5Very low36.7Very low70 Ų7083.2 Ų83.230%0.30446%0.461SS..Hα-helixtrans-86.8-22.7178.3-71.5174.7147.7-146.60114.2I121 S588 I589I121-K591 HydrophobicContact CB-CB 3.81Å; I121-K591 HydrophobicContact CB-CD 4.33Å; I121-K591 HydrophobicContact CD1-CB 4.01Å; I121-K591 HydrophobicContact CG2-CB 3.75Å; I121-K591 WeakPolarHBondContact O-CD 3.11Å; I121-K591 WeakPolarHBondContact O-CE 3.48Å; I121-K591 PolarHBondContact O-NZ 2.83Å; S588-K591 PolarHBondContact O-N 3.29Å; I589-K591 PolarHBondContact O-N 2.79Å
592L36.7Very low36.9Very low48 Ų4884.2 Ų84.225%0.25145%0.451SS..Hα-helixtrans-79-38.7167.6-65.9178.4000110.8I121 I589I121-L592 HydrophobicContact CD1-CD1 4.45Å; I121-L592 HydrophobicContact CD1-CD2 3.59Å; I121-L592 HydrophobicContact CD1-CG 3.62Å; I121-L592 HydrophobicContact CG1-CD2 4.13Å; I589-L592 PolarHBondContact O-N 3.32Å
593Y39.7Very low37.3Very low30 Ų3082.6 Ų82.612%0.11843%0.432CS..SBendtrans-101.745.1178.3-62.4-69.6000112.2Y60 I61 I66 I589 N590 M595Y60-Y593 HydrophobicContact CE1-CD1 4.41Å; I61-Y593 HydrophobicContact CD1-CE2 4.47Å; I61-Y593 HydrophobicContact CG1-CE2 4.33Å; I66-Y593 HydrophobicContact CG1-CE1 4.21Å; I66-Y593 PolarHBondContact N-OH 3.02Å; I589-Y593 HydrophobicContact CG2-CD2 3.92Å; I589-Y593 HydrophobicContact CG2-CE2 4.26Å; I589-Y593 PolarHBondContact O-N 2.84Å; I589-Y593 VanDerWaalsContact O-N 3.07Å; N590-Y593 CarbonylContact O-C 3.53Å; Y593-M595 PolarHBondContact O-N 2.83Å
594S35.1Very low37.4Very low80 Ų8081.3 Ų81.356%0.55942%0.415SS*.  trans-74.957.2-176.2-174.10000112.7N590N590-S594 VanDerWaalsContact O-CA 3.29Å; N590-S594 WeakPolarHBondContact O-CA 3.21Å; N590-S594 PolarHBondContact O-N 3.33Å
595M39Very low37.6Very low89 Ų8980.1 Ų80.144%0.43840%0.403SS..SBendtrans-102.5168159.3-69.8-162.9137.100109.2Y60 Y593 Q597Y60-M595 PolarHBondContact OH-SD 2.86Å; Y593-M595 PolarHBondContact O-N 2.83Å; M595-Q597 PolarHBondContact O-N 3.43Å
596H38.9Very low38Very low122 Ų12276.6 Ų76.657%0.56539%0.391SS*.  trans-53.3105.4-167.3-138.1-124.3000112.1D25 T598D25-H596 IonicContact OD1-CE1 2.7Å; D25-H596 IonicContact OD1-CG 2.66Å; D25-H596 IonicContact OD1-ND1 3.32Å; D25-H596 PolarHBondContact OD1-ND1 3.3Å; H596-T598 PolarHBondContact O-N 3.19Å
597Q42.3Very low38.3Very low60 Ų6076.1 Ų76.128%0.2839%0.387SS..  trans-88.595167.7-74.3-167.9-14.700107.7L48 N590 M595 Y599L48-Q597 HydrophobicContact CD2-CG 4.33Å; N590-Q597 VanDerWaalsContact CG-OE1 3.31Å; N590-Q597 PolarHBondContact ND2-OE1 3.47Å; N590-Q597 VanDerWaalsContact ND2-OE1 3.15Å; N590-Q597 PolarHBondContact OD1-NE2 2.85Å; M595-Q597 PolarHBondContact O-N 3.43Å; Q597-Y599 HydrophobicContact CB-CD2 4.41Å; Q597-Y599 HydrophobicContact CB-CE2 3.81Å; Q597-Y599 WeakPolarHBondContact O-CD2 3.49Å; Q597-Y599 PolarHBondContact O-N 2.91Å; Q597-Y599 PolarHBondContact OE1-OH 3.47Å
598T45Very low38.6Very low18 Ų1875.6 Ų75.611%0.1138%0.378CS..  trans-75.5108.5167.733.70000108.7I24 D25 C47 H596I24-T598 HydrophobicContact CG2-CG2 4.12Å; I24-T598 WeakPolarHBondContact CG2-OG1 3.29Å; D25-T598 WeakPolarHBondContact OD1-CG2 3.46Å; C47-T598 PolarHBondContact SG-OG1 2.94Å; H596-T598 PolarHBondContact O-N 3.19Å
599Y41.4Very low38.9Very low120 Ų12076.8 Ų76.847%0.47138%0.375SS..BIsolated β-bridgetrans-81.3134.8163.9-67.2-101.4000107K46 Q597K46-Y599 HydrophobicContact CD-CE1 4.29Å; Q597-Y599 HydrophobicContact CB-CD2 4.41Å; Q597-Y599 HydrophobicContact CB-CE2 3.81Å; Q597-Y599 WeakPolarHBondContact O-CD2 3.49Å; Q597-Y599 PolarHBondContact O-N 2.91Å; Q597-Y599 PolarHBondContact OE1-OH 3.47Å
600F42.1Very low39.1Very low43 Ų4382.1 Ų82.119%0.18940%0.401CS..  trans-66.3135.4167.1-56.8-66.5000108.7L22 I24 V34 L43 H44 D45 C47L22-F600 HydrophobicContact CB-CD1 4.14Å; L22-F600 HydrophobicContact CB-CE1 4.13Å; L22-F600 HydrophobicContact CD1-CD1 4.18Å; L22-F600 HydrophobicContact CD1-CE1 3.98Å; L22-F600 HydrophobicContact CD1-CZ 4.48Å; L22-F600 HydrophobicContact CD2-CB 4.32Å; L22-F600 HydrophobicContact CD2-CD1 3.73Å; L22-F600 HydrophobicContact CD2-CE1 4.35Å; L22-F600 HydrophobicContact CD2-CG 4.15Å; L22-F600 HydrophobicContact CG-CD1 4.23Å; L22-F600 HydrophobicContact CG-CE1 4.38Å; I24-F600 HydrophobicContact CD1-CE1 3.71Å; I24-F600 HydrophobicContact CD1-CZ 4.16Å; I24-F600 HydrophobicContact CG1-CE1 3.74Å; V34-F600 HydrophobicContact CG1-CE1 4.34Å; V34-F600 HydrophobicContact CG1-CZ 3.81Å; L43-F600 WeakPolarHBondContact O-CE2 3.45Å; H44-F600 WeakPolarHBondContact O-CD2 3.39Å; D45-F600 VanDerWaalsContact O-CD2 3.26Å; D45-F600 WeakPolarHBondContact O-CD2 3.35Å; C47-F600 HydrophobicContact CB-CZ 4.43Å
601M33Very low39.4Very low260 Ų26085.5 Ų85.5100%1.28142%0.415SS*.  trans-103.20176.6-87.2-169.6158.200110.7

Retrieved 601 of 601 residues in 81.1 ms (Link to these results)

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