A0A3Q0KQG0_SCHMA Loading...

Tubulin delta chain

Acts as a positive regulator of hedgehog signaling and regulates ciliary function.

AlphaFold DB (A0A5K4EST1), UniProt , Accession A0A3Q0KQG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 494 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
1M88.5Confident96Very high67 Ų6720.7 Ų20.733%0.3311%0.108SC..  0155.80-57.7-43.9-150.500108.4T49 S131 D133 K262 K263M1-T49 WeakPolarHBondContact O-CA 3.39Å; M1-T49 VanDerWaalsContact O-CB 3.29Å; M1-T49 WeakPolarHBondContact O-CB 3.15Å; M1-T49 WeakPolarHBondContact O-CG2 3.48Å; M1-T49 PolarHBondContact O-OG1 3.19Å; M1-S131 WeakPolarHBondContact CE-OG 3.42Å; M1-S131 WeakPolarHBondContact SD-CB 3.48Å; M1-S131 PolarHBondContact SD-OG 3.13Å; M1-D133 HydrophobicContact CB-CB 3.88Å; M1-K262 VanDerWaalsContact CB-O 3.32Å; M1-K262 WeakPolarHBondContact CB-O 3.48Å; M1-K262 HydrophobicContact CG-CB 4.04Å; M1-K262 WeakPolarHBondContact CG-O 3.37Å; M1-K263 HydrophobicContact CG-CG 3.94Å
2S94.3Very high96.2Very high7 Ų719 Ų195%0.04910%0.099CC..EExtended strand (participates in β ladder)trans-90.5140.5-172.4-48.50000111.4T49 R62 S131 D133S2-T49 WeakPolarHBondContact CA-O 3.41Å; S2-R62 PolarHBondContact OG-NH1 3.09Å; S2-R62 VanDerWaalsContact OG-NH1 3.1Å; S2-S131 WeakPolarHBondContact CB-O 3.39Å; S2-S131 PolarHBondContact N-O 3.01Å; S2-S131 PolarHBondContact OG-O 3.3Å; S2-D133 WeakPolarHBondContact O-CB 3.39Å; S2-D133 PolarHBondContact O-N 2.74Å
3I96.7Very high96.3Very high1 Ų117.5 Ų17.51%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-111.5124167-66.2168.6000107T49 F50 D133 G134 L136 L265I3-T49 HydrophobicContact CB-CG2 4.08Å; I3-T49 HydrophobicContact CD1-CG2 3.69Å; I3-T49 HydrophobicContact CG1-CG2 3.77Å; I3-T49 PolarHBondContact N-O 3.13Å; I3-F50 HydrophobicContact CB-CD1 4.35Å; I3-F50 HydrophobicContact CB-CE1 4.03Å; I3-F50 HydrophobicContact CD1-CE1 3.88Å; I3-F50 HydrophobicContact CD1-CZ 4.01Å; I3-F50 HydrophobicContact CG2-CE1 4.27Å; I3-D133 HydrophobicContact CG1-CB 3.88Å; I3-G134 WeakPolarHBondContact CA-O 3.47Å; I3-L136 HydrophobicContact CG2-CB 3.73Å; I3-L265 HydrophobicContact CD1-CB 3.83Å; I3-L265 HydrophobicContact CD1-CD1 4.21Å; I3-L265 HydrophobicContact CG1-CB 4.23Å; I3-L265 HydrophobicContact CG1-CD1 4.24Å; I3-L265 HydrophobicContact CG2-CD1 3.84Å
4V96.9Very high96.3Very high4 Ų420.6 Ų20.62%0.02411%0.105CC..EExtended strand (participates in β ladder)trans-93.7123.5174.8178.40000108.5Q125 L126 L132 G134 I135 L136V4-Q125 HydrophobicContact CG1-CB 3.92Å; V4-Q125 HydrophobicContact CG1-CG 4.43Å; V4-Q125 HydrophobicContact CG2-CB 4.44Å; V4-L126 HydrophobicContact CG2-CD2 4.11Å; V4-L132 HydrophobicContact CG2-CD1 4.01Å; V4-G134 PolarHBondContact N-O 3.45Å; V4-G134 VanDerWaalsContact N-O 3.12Å; V4-I135 WeakPolarHBondContact O-CA 3.35Å; V4-L136 PolarHBondContact O-N 3.43Å
5S97.8Very high96.4Very high2 Ų219.3 Ų19.31%0.01410%0.098CC..EExtended strand (participates in β ladder)trans-90.2126177.5178.60000111.2Q7 R62 C63 V64 L136S5-Q7 PolarHBondContact OG-NE2 3.4Å; S5-R62 PolarHBondContact N-O 3.15Å; S5-C63 CarbonylContact O-C 3.56Å; S5-C63 WeakPolarHBondContact O-CA 3.42Å; S5-C63 WeakPolarHBondContact O-CB 3.42Å; S5-V64 PolarHBondContact O-N 3.43Å; S5-L136 CarbonylContact C-O 3.6Å; S5-L136 VanDerWaalsContact CA-O 3.25Å; S5-L136 WeakPolarHBondContact CA-O 3.37Å
6L97.9Very high96.5Very high3 Ų318.1 Ų18.12%0.0169%0.092CC..EExtended strand (participates in β ladder)trans-105.7113.6171.5178.863.1000109.1I8 V64 V66 I122 I135 L136 V137 S138 I153L6-I8 HydrophobicContact CD1-CG1 4.31Å; L6-I8 HydrophobicContact CD2-CD1 3.8Å; L6-I8 HydrophobicContact CD2-CG1 4.33Å; L6-I8 HydrophobicContact CG-CD1 3.85Å; L6-I8 HydrophobicContact CG-CG1 3.82Å; L6-V64 HydrophobicContact CD1-CB 3.86Å; L6-V64 HydrophobicContact CD1-CG1 4.1Å; L6-V66 HydrophobicContact CD1-CG2 4.02Å; L6-I122 HydrophobicContact CD1-CD1 4.23Å; L6-I122 HydrophobicContact CD1-CG1 4.35Å; L6-I122 HydrophobicContact CD2-CD1 4.21Å; L6-I135 HydrophobicContact CB-CG2 4.26Å; L6-L136 PolarHBondContact N-O 3.21Å; L6-V137 HydrophobicContact CB-CG1 4.46Å; L6-V137 HydrophobicContact CB-CG2 4.13Å; L6-V137 HydrophobicContact CD2-CG1 4.32Å; L6-V137 HydrophobicContact CD2-CG2 4.19Å; L6-V137 HydrophobicContact CG-CG1 4.45Å; L6-V137 CarbonylContact O-C 3.58Å; L6-V137 WeakPolarHBondContact O-CA 3.35Å; L6-S138 PolarHBondContact O-N 3.05Å; L6-I153 HydrophobicContact CD2-CG2 3.74Å
7Q98.3Very high96.5Very high0 Ų017.5 Ų17.50%09%0.091CC..EExtended strand (participates in β ladder)trans-109.4113.3-172.4-62.5173.613.800109S5 N13 G16 V64 V66 Y87S5-Q7 PolarHBondContact OG-NE2 3.4Å; Q7-N13 WeakPolarHBondContact CB-OD1 3.49Å; Q7-N13 PolarHBondContact O-OD1 3.21Å; Q7-G16 VanDerWaalsContact CD-CA 3.47Å; Q7-G16 VanDerWaalsContact NE2-CA 3.27Å; Q7-V64 PolarHBondContact N-O 3.49Å; Q7-V66 PolarHBondContact O-N 3.26Å; Q7-Y87 PolarHBondContact OE1-OH 3.35Å; Q7-Y87 VanDerWaalsContact OE1-OH 3.13Å
8I98Very high96.5Very high0 Ų020.8 Ų20.80%010%0.104CC..EExtended strand (participates in β ladder)trans-119.8121.4-168.1-44.5178.6000111.2L6 V66 V137 S138 M139 T145 I153L6-I8 HydrophobicContact CD1-CG1 4.31Å; L6-I8 HydrophobicContact CD2-CD1 3.8Å; L6-I8 HydrophobicContact CD2-CG1 4.33Å; L6-I8 HydrophobicContact CG-CD1 3.85Å; L6-I8 HydrophobicContact CG-CG1 3.82Å; I8-V66 WeakPolarHBondContact CA-O 3.32Å; I8-V66 HydrophobicContact CG2-CB 4.43Å; I8-V66 HydrophobicContact CG2-CG1 4.48Å; I8-V137 HydrophobicContact CD1-CG1 3.86Å; I8-V137 HydrophobicContact CG1-CG1 4.41Å; I8-S138 PolarHBondContact N-O 3.21Å; I8-M139 HydrophobicContact CB-CB 4.28Å; I8-T145 HydrophobicContact CG2-CG2 4.38Å; I8-I153 HydrophobicContact CD1-CD1 4.07Å
9G96.8Very high96.6Very high3 Ų319.9 Ų19.93%0.03110%0.1CC..Hα-helixtrans70.1177.8-177.600000113.6C11 G12 N13 V66G9-C11 VanDerWaalsContact C-N 3.35Å; G9-C11 PolarHBondContact O-N 3.07Å; G9-G12 PolarHBondContact O-N 3.21Å; G9-G12 VanDerWaalsContact O-N 3.14Å; G9-N13 PolarHBondContact O-N 3.34Å; G9-N13 PolarHBondContact O-ND2 3.11Å; G9-N13 VanDerWaalsContact O-ND2 3.09Å; G9-V66 PolarHBondContact N-O 3.18Å
10Q95.5Very high96.6Very high112 Ų11218.9 Ų18.952%0.52310%0.095SC..Hα-helixtrans-49.9-51.8-174.6172.9172.4-31.800113.3Q14 D67 V72Q10-Q14 VanDerWaalsContact O-CG 3.29Å; Q10-Q14 WeakPolarHBondContact O-CG 3.47Å; Q10-Q14 PolarHBondContact O-N 3.21Å; Q10-Q14 VanDerWaalsContact O-N 3.1Å; Q10-D67 WeakPolarHBondContact CA-OD2 3.2Å; Q10-D67 PolarHBondContact N-OD2 3.17Å; Q10-V72 HydrophobicContact CB-CG2 3.88Å; Q10-V72 HydrophobicContact CG-CG1 4.21Å; Q10-V72 HydrophobicContact CG-CG2 3.64Å
11C95.8Very high96.6Very high29 Ų2919.4 Ų19.420%0.19610%0.1CC..Hα-helixtrans-64.9-44.4-177.9178.80000111.8G9 N13 Q14 I15G9-C11 VanDerWaalsContact C-N 3.35Å; G9-C11 PolarHBondContact O-N 3.07Å; C11-N13 PolarHBondContact O-N 3.32Å; C11-Q14 PolarHBondContact O-N 3.14Å; C11-I15 WeakPolarHBondContact O-CB 3.47Å; C11-I15 WeakPolarHBondContact O-CG1 3.49Å; C11-I15 PolarHBondContact O-N 3.44Å; C11-I15 VanDerWaalsContact SG-CD1 3.52Å
12G97.5Very high96.9Very high0 Ų017.2 Ų17.20%09%0.09CC..Hα-helixtrans-60.7-43.6178.600000112.7G9 G16 S138G9-G12 PolarHBondContact O-N 3.21Å; G9-G12 VanDerWaalsContact O-N 3.14Å; G12-G16 PolarHBondContact O-N 3.39Å; G12-S138 VanDerWaalsContact CA-O 3.26Å; G12-S138 WeakPolarHBondContact CA-O 3.36Å
13N97.7Very high97Very high0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-66-40.6177.5-73.1-50.5000112.7Q7 G9 C11 A17 Q65 V66 D67 V72Q7-N13 WeakPolarHBondContact CB-OD1 3.49Å; Q7-N13 PolarHBondContact O-OD1 3.21Å; G9-N13 PolarHBondContact O-N 3.34Å; G9-N13 PolarHBondContact O-ND2 3.11Å; G9-N13 VanDerWaalsContact O-ND2 3.09Å; C11-N13 PolarHBondContact O-N 3.32Å; N13-A17 WeakPolarHBondContact O-CB 3.31Å; N13-A17 PolarHBondContact O-N 2.85Å; N13-Q65 WeakPolarHBondContact OD1-CB 3.38Å; N13-V66 PolarHBondContact ND2-O 2.93Å; N13-D67 PolarHBondContact ND2-OD2 2.88Å; N13-V72 HydrophobicContact CB-CG1 4.06Å
14Q96.9Very high96.9Very high60 Ų6018.3 Ų18.328%0.289%0.094SC..Hα-helixtrans-66.2-45.2177.2-72.4174.7100112.2Q10 C11 K18 V72Q10-Q14 VanDerWaalsContact O-CG 3.29Å; Q10-Q14 WeakPolarHBondContact O-CG 3.47Å; Q10-Q14 PolarHBondContact O-N 3.21Å; Q10-Q14 VanDerWaalsContact O-N 3.1Å; C11-Q14 PolarHBondContact O-N 3.14Å; Q14-K18 PolarHBondContact O-N 2.92Å; Q14-K18 VanDerWaalsContact O-N 3.1Å; Q14-V72 HydrophobicContact CG-CG1 4.08Å
15I97.6Very high96.7Very high1 Ų121.7 Ų21.71%0.00511%0.112CC..Hα-helixtrans-64.8-44.8177.3-72.9168.1000110.6C11 A17 K18 F19 I171 N236 L239 T240C11-I15 WeakPolarHBondContact O-CB 3.47Å; C11-I15 WeakPolarHBondContact O-CG1 3.49Å; C11-I15 PolarHBondContact O-N 3.44Å; C11-I15 VanDerWaalsContact SG-CD1 3.52Å; I15-A17 PolarHBondContact O-N 3.36Å; I15-K18 CarbonylContact O-C 3.41Å; I15-K18 PolarHBondContact O-N 2.79Å; I15-F19 WeakPolarHBondContact O-CB 3.39Å; I15-F19 PolarHBondContact O-N 3.19Å; I15-I171 HydrophobicContact CD1-CD1 3.66Å; I15-I171 HydrophobicContact CD1-CG1 3.3Å; I15-N236 HydrophobicContact CG1-CB 4.44Å; I15-N236 VanDerWaalsContact CG1-OD1 3.23Å; I15-N236 WeakPolarHBondContact CG1-OD1 3.47Å; I15-L239 HydrophobicContact CD1-CD1 3.84Å; I15-L239 HydrophobicContact CG1-CD1 4.46Å; I15-L239 HydrophobicContact CG2-CD2 3.65Å; I15-T240 HydrophobicContact CG2-CG2 4.21Å; I15-T240 WeakPolarHBondContact O-CG2 3.07Å
16G97.3Very high96.5Very high0 Ų022.3 Ų22.30%011%0.114CC..Hα-helixtrans-60.6-43.3178.900000113.1Q7 G12 K18 F19 F20Q7-G16 VanDerWaalsContact CD-CA 3.47Å; Q7-G16 VanDerWaalsContact NE2-CA 3.27Å; G12-G16 PolarHBondContact O-N 3.39Å; G16-K18 VanDerWaalsContact C-N 3.34Å; G16-K18 PolarHBondContact O-N 2.94Å; G16-F19 WeakPolarHBondContact O-CB 3.36Å; G16-F19 PolarHBondContact O-N 2.63Å; G16-F20 VanDerWaalsContact O-CD2 3.26Å; G16-F20 WeakPolarHBondContact O-CD2 3.43Å; G16-F20 PolarHBondContact O-N 2.93Å
17A96.8Very high96.2Very high8 Ų822.4 Ų22.47%0.06612%0.115CC..Hα-helixtrans-61.8-42.9174.300000112.1N13 I15 F19 S21 V76 Y87N13-A17 WeakPolarHBondContact O-CB 3.31Å; N13-A17 PolarHBondContact O-N 2.85Å; I15-A17 PolarHBondContact O-N 3.36Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 PolarHBondContact O-N 2.87Å; A17-S21 PolarHBondContact O-N 3.44Å; A17-S21 PolarHBondContact O-OG 2.92Å; A17-V76 HydrophobicContact CB-CB 3.9Å; A17-V76 HydrophobicContact CB-CG1 4.07Å; A17-Y87 WeakPolarHBondContact CA-OH 3.38Å; A17-Y87 HydrophobicContact CB-CE2 4.36Å; A17-Y87 VanDerWaalsContact CB-OH 3.31Å; A17-Y87 WeakPolarHBondContact CB-OH 3.39Å; A17-Y87 PolarHBondContact N-OH 3.39Å; A17-Y87 VanDerWaalsContact N-OH 3.17Å
18K96.9Very high95.7Very high78 Ų7824.5 Ų24.534%0.33913%0.13SC..Hα-helixtrans-67.3-33.6176.5-173.859.9179.6178.60112Q14 I15 G16 S21 T22 N236 T240Q14-K18 PolarHBondContact O-N 2.92Å; Q14-K18 VanDerWaalsContact O-N 3.1Å; I15-K18 CarbonylContact O-C 3.41Å; I15-K18 PolarHBondContact O-N 2.79Å; G16-K18 VanDerWaalsContact C-N 3.34Å; G16-K18 PolarHBondContact O-N 2.94Å; K18-S21 WeakPolarHBondContact O-CB 3.44Å; K18-S21 PolarHBondContact O-N 2.97Å; K18-T22 WeakPolarHBondContact O-CB 3.3Å; K18-T22 PolarHBondContact O-N 3.12Å; K18-T22 PolarHBondContact O-OG1 2.92Å; K18-N236 HydrophobicContact CB-CB 4.43Å; K18-N236 HydrophobicContact CG-CB 4.31Å; K18-T240 HydrophobicContact CB-CG2 3.97Å; K18-T240 HydrophobicContact CG-CG2 3.94Å
19F97.8Very high94.6Very high3 Ų328 Ų281%0.01316%0.159CC..Hα-helixtrans-64.7-52.7176.7175.2-105.8000111.2I15 G16 A17 S21 T22 V23 F50 L136 T240 L243 A244 L247I15-F19 WeakPolarHBondContact O-CB 3.39Å; I15-F19 PolarHBondContact O-N 3.19Å; G16-F19 WeakPolarHBondContact O-CB 3.36Å; G16-F19 PolarHBondContact O-N 2.63Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 PolarHBondContact O-N 2.87Å; F19-S21 VanDerWaalsContact C-N 3.28Å; F19-S21 PolarHBondContact O-N 3.4Å; F19-T22 WeakPolarHBondContact O-CA 3.46Å; F19-T22 WeakPolarHBondContact O-CB 3.45Å; F19-T22 PolarHBondContact O-N 3.18Å; F19-V23 HydrophobicContact CD1-CG2 4.49Å; F19-V23 HydrophobicContact CD2-CG2 4.41Å; F19-V23 HydrophobicContact CE1-CG2 4.06Å; F19-V23 HydrophobicContact CE2-CG2 3.98Å; F19-V23 HydrophobicContact CZ-CG2 3.8Å; F19-V23 WeakPolarHBondContact O-CG2 3.25Å; F19-V23 PolarHBondContact O-N 2.73Å; F19-F50 AromaticContact CE1-CD1 3.81Å; F19-F50 HydrophobicContact CE1-CD1 3.81Å; F19-F50 AromaticContact CE1-CE1 3.67Å; F19-F50 HydrophobicContact CE1-CE1 3.67Å; F19-F50 HydrophobicContact CE1-CZ 4.31Å; F19-F50 HydrophobicContact CZ-CD1 4.19Å; F19-F50 AromaticContact CZ-CE1 3.62Å; F19-F50 HydrophobicContact CZ-CE1 3.62Å; F19-F50 AromaticContact CZ-CZ 3.85Å; F19-F50 HydrophobicContact CZ-CZ 3.85Å; F19-L136 HydrophobicContact CD1-CD2 4.5Å; F19-L136 HydrophobicContact CE1-CD2 4.03Å; F19-L136 HydrophobicContact CZ-CD2 4.15Å; F19-T240 HydrophobicContact CB-CG2 3.81Å; F19-L243 HydrophobicContact CD2-CD2 3.69Å; F19-L243 HydrophobicContact CD2-CG 4.29Å; F19-L243 HydrophobicContact CE2-CB 4.39Å; F19-L243 HydrophobicContact CE2-CD2 3.62Å; F19-L243 HydrophobicContact CE2-CG 3.88Å; F19-L243 HydrophobicContact CG-CD2 4.44Å; F19-L243 HydrophobicContact CZ-CD2 4.33Å; F19-A244 HydrophobicContact CD2-CB 4.22Å; F19-A244 HydrophobicContact CE2-CB 3.84Å; F19-L247 HydrophobicContact CZ-CD1 4.29Å
20F97.4Very high93.2Very high0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-59.6-39.8176.3-77.1-64.1000112.2G16 T22 V23 Y24 F50 F51 A61 C63 W85 Y87G16-F20 VanDerWaalsContact O-CD2 3.26Å; G16-F20 WeakPolarHBondContact O-CD2 3.43Å; G16-F20 PolarHBondContact O-N 2.93Å; F20-T22 VanDerWaalsContact C-N 3.33Å; F20-T22 PolarHBondContact O-N 3.31Å; F20-V23 PolarHBondContact O-N 3.18Å; F20-Y24 WeakPolarHBondContact O-CB 3.48Å; F20-Y24 PolarHBondContact O-N 2.91Å; F20-F50 HydrophobicContact CD1-CB 4.32Å; F20-F50 HydrophobicContact CE1-CB 3.97Å; F20-F50 VanDerWaalsContact CE1-O 3.26Å; F20-F50 WeakPolarHBondContact CE1-O 3.47Å; F20-F51 HydrophobicContact CB-CE1 4.28Å; F20-F51 HydrophobicContact CB-CZ 4.08Å; F20-F51 HydrophobicContact CD1-CD1 4.49Å; F20-F51 AromaticContact CD1-CE1 3.77Å; F20-F51 HydrophobicContact CD1-CE1 3.77Å; F20-F51 HydrophobicContact CD1-CE2 4.26Å; F20-F51 AromaticContact CD1-CZ 3.65Å; F20-F51 HydrophobicContact CD1-CZ 3.65Å; F20-F51 HydrophobicContact CG-CE1 4.34Å; F20-F51 HydrophobicContact CG-CZ 4.32Å; F20-A61 HydrophobicContact CD1-CB 3.95Å; F20-A61 HydrophobicContact CD2-CB 3.86Å; F20-A61 HydrophobicContact CE1-CB 3.85Å; F20-A61 HydrophobicContact CE2-CB 3.72Å; F20-A61 HydrophobicContact CG-CB 3.97Å; F20-A61 HydrophobicContact CZ-CB 3.74Å; F20-C63 HydrophobicContact CE2-CB 3.81Å; F20-C63 HydrophobicContact CZ-CB 4Å; F20-W85 HydrophobicContact CB-CD2 4.48Å; F20-W85 HydrophobicContact CB-CE3 4.15Å; F20-W85 HydrophobicContact CB-CH2 3.53Å; F20-W85 HydrophobicContact CB-CZ2 3.9Å; F20-W85 HydrophobicContact CB-CZ3 3.67Å; F20-W85 HydrophobicContact CG-CH2 4.49Å; F20-W85 HydrophobicContact CG-CZ3 4.27Å; F20-Y87 HydrophobicContact CD2-CE1 4.48Å
21S95.5Very high91.2Very high30 Ų3035.9 Ų35.921%0.2119%0.194CC..Hα-helixtrans-57.9-46.4172-54.60000111.6A17 K18 F19 V23 Y24 D25 W85A17-S21 PolarHBondContact O-N 3.44Å; A17-S21 PolarHBondContact O-OG 2.92Å; K18-S21 WeakPolarHBondContact O-CB 3.44Å; K18-S21 PolarHBondContact O-N 2.97Å; F19-S21 VanDerWaalsContact C-N 3.28Å; F19-S21 PolarHBondContact O-N 3.4Å; S21-V23 PolarHBondContact O-N 2.91Å; S21-Y24 PolarHBondContact O-N 3.23Å; S21-D25 WeakPolarHBondContact O-CB 3.25Å; S21-D25 PolarHBondContact O-N 3.48Å; S21-W85 WeakPolarHBondContact OG-CZ2 3.4Å
22T95.6Very high89.3Confident20 Ų2039.2 Ų39.212%0.12321%0.209CC..Hα-helixtrans-62.7-42.4-179.2-55.10000111.6K18 F19 F20 D26 T240 A244 F399K18-T22 WeakPolarHBondContact O-CB 3.3Å; K18-T22 PolarHBondContact O-N 3.12Å; K18-T22 PolarHBondContact O-OG1 2.92Å; F19-T22 WeakPolarHBondContact O-CA 3.46Å; F19-T22 WeakPolarHBondContact O-CB 3.45Å; F19-T22 PolarHBondContact O-N 3.18Å; F20-T22 VanDerWaalsContact C-N 3.33Å; F20-T22 PolarHBondContact O-N 3.31Å; T22-D26 WeakPolarHBondContact O-CB 3.32Å; T22-D26 PolarHBondContact O-N 3.48Å; T22-T240 PolarHBondContact OG1-OG1 3.44Å; T22-A244 HydrophobicContact CG2-CB 3.92Å; T22-F399 HydrophobicContact CG2-CZ 4.17Å
23V96.1Very high87.5Confident0 Ų045 Ų450%025%0.25CS..Hα-helixtrans-65.9-44.5176.6173.70000111.1F19 F20 S21 D26 C27 F50 F51 A244F19-V23 HydrophobicContact CD1-CG2 4.49Å; F19-V23 HydrophobicContact CD2-CG2 4.41Å; F19-V23 HydrophobicContact CE1-CG2 4.06Å; F19-V23 HydrophobicContact CE2-CG2 3.98Å; F19-V23 HydrophobicContact CZ-CG2 3.8Å; F19-V23 WeakPolarHBondContact O-CG2 3.25Å; F19-V23 PolarHBondContact O-N 2.73Å; F20-V23 PolarHBondContact O-N 3.18Å; S21-V23 PolarHBondContact O-N 2.91Å; V23-D26 PolarHBondContact O-N 3.17Å; V23-C27 PolarHBondContact O-N 2.95Å; V23-C27 VanDerWaalsContact O-N 3.16Å; V23-C27 PolarHBondContact O-SG 2.86Å; V23-F50 HydrophobicContact CG1-CB 4.29Å; V23-F50 HydrophobicContact CG1-CD2 3.57Å; V23-F50 HydrophobicContact CG1-CE2 4.23Å; V23-F50 HydrophobicContact CG1-CG 4.17Å; V23-F50 HydrophobicContact CG2-CD2 4.22Å; V23-F50 HydrophobicContact CG2-CE2 4.31Å; V23-F51 HydrophobicContact CB-CE2 4.46Å; V23-F51 HydrophobicContact CG1-CE2 3.94Å; V23-A244 HydrophobicContact CG2-CB 4.15Å
24Y94.9Very high86.2Confident32 Ų3252.6 Ų52.613%0.12529%0.289CS..Hα-helixtrans-63.2-49177.8177.4-89.7000111.5F20 S21 D26 C27 C28 L59 K84 W85F20-Y24 WeakPolarHBondContact O-CB 3.48Å; F20-Y24 PolarHBondContact O-N 2.91Å; S21-Y24 PolarHBondContact O-N 3.23Å; Y24-D26 VanDerWaalsContact C-N 3.28Å; Y24-D26 PolarHBondContact O-N 3.1Å; Y24-C27 CarbonylContact O-C 3.57Å; Y24-C27 PolarHBondContact O-N 3.09Å; Y24-C28 HydrophobicContact CD1-CB 4.25Å; Y24-C28 HydrophobicContact CD2-CB 4.31Å; Y24-C28 HydrophobicContact CE1-CB 3.74Å; Y24-C28 HydrophobicContact CE2-CB 3.83Å; Y24-C28 WeakPolarHBondContact O-CB 3.26Å; Y24-C28 PolarHBondContact O-N 3.25Å; Y24-L59 HydrophobicContact CD2-CD1 3.79Å; Y24-L59 HydrophobicContact CE2-CD1 3.77Å; Y24-K84 HydrophobicContact CE1-CB 3.83Å; Y24-K84 HydrophobicContact CE1-CD 3.84Å; Y24-K84 HydrophobicContact CE1-CG 4.07Å; Y24-K84 HydrophobicContact CE2-CB 4.06Å; Y24-K84 WeakPolarHBondContact CE2-O 3.32Å; Y24-K84 WeakPolarHBondContact OH-CB 3.31Å; Y24-K84 WeakPolarHBondContact OH-CG 3.31Å; Y24-W85 AromaticContact CD1-CD1 3.87Å; Y24-W85 HydrophobicContact CD2-CB 4.16Å; Y24-W85 AromaticContact CD2-CD1 3.7Å; Y24-W85 HydrophobicContact CD2-CG 4.22Å; Y24-W85 AromaticContact CG-CD1 3.43Å; Y24-W85 VanDerWaalsContact CG-CD1 3.43Å; Y24-W85 HydrophobicContact CG-CG 4.3Å
25D92.9Very high85.4Confident75 Ų7553 Ų5340%0.40129%0.294SS..Hα-helixtrans-61.4-39.9180-69.8-21.9000110.9S21 C27 A29S21-D25 WeakPolarHBondContact O-CB 3.25Å; S21-D25 PolarHBondContact O-N 3.48Å; D25-C27 VanDerWaalsContact C-N 3.26Å; D25-C27 PolarHBondContact O-N 3.28Å; D25-A29 HydrophobicContact CB-CB 4.41Å; D25-A29 WeakPolarHBondContact O-CB 3.49Å; D25-A29 PolarHBondContact O-N 3.31Å
26D93.7Very high84.8Confident14 Ų1455.1 Ų55.18%0.07531%0.308CS..Hα-helixtrans-58.8-39.7173.3-177.950.5000111.5T22 V23 Y24 Y42 Q248 R397 F399T22-D26 WeakPolarHBondContact O-CB 3.32Å; T22-D26 PolarHBondContact O-N 3.48Å; V23-D26 PolarHBondContact O-N 3.17Å; Y24-D26 VanDerWaalsContact C-N 3.28Å; Y24-D26 PolarHBondContact O-N 3.1Å; D26-Y42 WeakPolarHBondContact OD2-CE1 3.44Å; D26-Y42 PolarHBondContact OD2-OH 2.8Å; D26-Q248 PolarHBondContact OD2-NE2 3.24Å; D26-R397 PolarHBondContact O-NH1 2.88Å; D26-R397 PolarHBondContact O-NH2 2.95Å; D26-R397 IonicContact OD1-CZ 3.79Å; D26-R397 IonicContact OD1-NH1 3.71Å; D26-R397 PolarHBondContact OD1-NH1 3.4Å; D26-R397 IonicContact OD2-NH1 2.74Å; D26-F399 HydrophobicContact CB-CD2 4.16Å; D26-F399 HydrophobicContact CB-CE2 3.88Å; D26-F399 VanDerWaalsContact CG-CD2 3.42Å; D26-F399 WeakPolarHBondContact OD1-CD2 3.06Å
27C92.2Very high84.3Confident5 Ų563.2 Ų63.23%0.03434%0.343CS..Hα-helixtrans-80.1-41.3-178.8-66.90000114.1V23 Y24 D25 I43 S46 L47V23-C27 PolarHBondContact O-N 2.95Å; V23-C27 VanDerWaalsContact O-N 3.16Å; V23-C27 PolarHBondContact O-SG 2.86Å; Y24-C27 CarbonylContact O-C 3.57Å; Y24-C27 PolarHBondContact O-N 3.09Å; D25-C27 VanDerWaalsContact C-N 3.26Å; D25-C27 PolarHBondContact O-N 3.28Å; C27-I43 HydrophobicContact CB-CG1 4.35Å; C27-I43 HydrophobicContact CB-CG2 4.08Å; C27-I43 WeakPolarHBondContact O-CD1 3.29Å; C27-S46 VanDerWaalsContact SG-CB 3.5Å; C27-S46 PolarHBondContact SG-OG 2.98Å; C27-L47 HydrophobicContact CB-CD2 4.04Å; C27-L47 HydrophobicContact CB-CG 4.3Å
28C86.9Confident83.8Confident45 Ų4566 Ų6630%0.30436%0.36SS..Hα-helixtrans-118.6-9.7-159.9-64.20000114.6Y24 K30Y24-C28 HydrophobicContact CD1-CB 4.25Å; Y24-C28 HydrophobicContact CD2-CB 4.31Å; Y24-C28 HydrophobicContact CE1-CB 3.74Å; Y24-C28 HydrophobicContact CE2-CB 3.83Å; Y24-C28 WeakPolarHBondContact O-CB 3.26Å; Y24-C28 PolarHBondContact O-N 3.25Å; C28-K30 PolarHBondContact O-N 3.4Å
29A74.1Confident83.3Confident74 Ų7463.8 Ų63.861%0.61235%0.351SS*.SBendtrans-71.6-14.7-17700000114.4D25D25-A29 HydrophobicContact CB-CB 4.41Å; D25-A29 WeakPolarHBondContact O-CB 3.49Å; D25-A29 PolarHBondContact O-N 3.31Å
30K67.7Low83Confident86 Ų8666.8 Ų66.837%0.37437%0.37SS..  trans-104.1102.7177.6-65-175.9-179.8-178.80109.9C28 N32C28-K30 PolarHBondContact O-N 3.4Å; K30-N32 PolarHBondContact O-N 3.37Å
31E54.3Low82.6Confident194 Ų19468.2 Ų68.291%0.90738%0.378SS*.  trans-69.566.6165.3-71.6-176.8174.700110.3S33E31-S33 PolarHBondContact O-N 3.28Å
32N56.6Low82.4Confident99 Ų9967 Ų6753%0.52937%0.369SS..  trans-86.1111.9170.4-79.5-5.5000108.5K30 L34 L35K30-N32 PolarHBondContact O-N 3.37Å; N32-L34 PolarHBondContact O-N 2.86Å; N32-L34 VanDerWaalsContact O-N 3.11Å; N32-L35 HydrophobicContact CB-CD2 4.12Å; N32-L35 HydrophobicContact CB-CG 4.37Å
33S59Low82.3Confident122 Ų12267.2 Ų67.285%0.85337%0.369SS*.SBendtrans-63.9-11.3177.151.30000114.1E31E31-S33 PolarHBondContact O-N 3.28Å
34L70.6Confident82.1Confident158 Ų15874 Ų7483%0.82739%0.394SS*.SBendtrans-134.173.6178.5-70.4162.8000110.3N32N32-L34 PolarHBondContact O-N 2.86Å; N32-L34 VanDerWaalsContact O-N 3.11Å
35L79.4Confident82Confident70 Ų7073.5 Ų73.537%0.36639%0.394SS..  trans-71.4138.8169.6-71.7166.2000110.2N32 D39 I43N32-L35 HydrophobicContact CB-CD2 4.12Å; N32-L35 HydrophobicContact CB-CG 4.37Å; L35-D39 HydrophobicContact CB-CB 4.45Å; L35-D39 HydrophobicContact CD2-CB 4.02Å; L35-I43 HydrophobicContact CD1-CD1 3.77Å; L35-I43 HydrophobicContact CD2-CD1 4.29Å
36S85.3Confident82.1Confident45 Ų4569.9 Ų69.932%0.31538%0.375SS..  trans-63.5159.5169.972.80000110.5T38 D39 T40S36-T38 PolarHBondContact O-N 2.88Å; S36-T38 PolarHBondContact OG-OG1 3.29Å; S36-D39 PolarHBondContact O-N 2.66Å; S36-D39 WeakPolarHBondContact OG-CB 3.35Å; S36-D39 PolarHBondContact OG-N 3.34Å; S36-D39 PolarHBondContact OG-OD2 3.49Å; S36-T40 PolarHBondContact O-N 2.99Å; S36-T40 PolarHBondContact O-OG1 3.43Å
37K87Confident82.1Confident170 Ų17070.1 Ų70.174%0.73938%0.376SS*.Hα-helixtrans-58.4-37.5174.2-175.6178.4178.9-178.90111.5D41K37-D41 WeakPolarHBondContact O-CB 3.37Å; K37-D41 PolarHBondContact O-N 3.39Å
38T85.7Confident82.2Confident67 Ų6773.3 Ų73.341%0.41139%0.392SS..Hα-helixtrans-68.1-40.6178.945.60000112.3S36 D41 Y42 H396S36-T38 PolarHBondContact O-N 2.88Å; S36-T38 PolarHBondContact OG-OG1 3.29Å; T38-D41 WeakPolarHBondContact O-CB 3.37Å; T38-D41 PolarHBondContact O-N 2.8Å; T38-Y42 WeakPolarHBondContact O-CB 3.46Å; T38-Y42 PolarHBondContact O-N 3.44Å; T38-H396 PolarHBondContact OG1-CE1 3.25Å; T38-H396 PolarHBondContact OG1-NE2 2.78Å
39D87.6Confident82.6Confident30 Ų3071.1 Ų71.116%0.1638%0.378CS..Hα-helixtrans-68.1-39.5175.8-66.8-44.8000112L35 S36 D41 Y42 I43 H396L35-D39 HydrophobicContact CB-CB 4.45Å; L35-D39 HydrophobicContact CD2-CB 4.02Å; S36-D39 PolarHBondContact O-N 2.66Å; S36-D39 WeakPolarHBondContact OG-CB 3.35Å; S36-D39 PolarHBondContact OG-N 3.34Å; S36-D39 PolarHBondContact OG-OD2 3.49Å; D39-D41 VanDerWaalsContact C-N 3.3Å; D39-D41 PolarHBondContact O-N 2.91Å; D39-Y42 WeakPolarHBondContact O-CB 3.46Å; D39-Y42 PolarHBondContact O-N 3.47Å; D39-I43 VanDerWaalsContact O-CG1 3.32Å; D39-I43 WeakPolarHBondContact O-CG1 3.45Å; D39-I43 PolarHBondContact O-N 3.4Å; D39-H396 IonicContact OD1-NE2 3.83Å
40T89.9Confident83.7Confident67 Ų6767.7 Ų67.741%0.41135%0.349SS..Hα-helixtrans-61.1-42.8176-560000110.9S36 I43 R44S36-T40 PolarHBondContact O-N 2.99Å; S36-T40 PolarHBondContact O-OG1 3.43Å; T40-I43 PolarHBondContact O-N 3.03Å; T40-R44 WeakPolarHBondContact O-CB 3.46Å; T40-R44 PolarHBondContact O-N 3.4Å
41D90.2Very high85.1Confident29 Ų2963.7 Ų63.716%0.15533%0.332CS..Hα-helixtrans-64-43175.4-82.6-1.7000112.9K37 T38 D39 R44 D45 K260K37-D41 WeakPolarHBondContact O-CB 3.37Å; K37-D41 PolarHBondContact O-N 3.39Å; T38-D41 WeakPolarHBondContact O-CB 3.37Å; T38-D41 PolarHBondContact O-N 2.8Å; D39-D41 VanDerWaalsContact C-N 3.3Å; D39-D41 PolarHBondContact O-N 2.91Å; D41-R44 IonicContact OD1-CZ 2.8Å; D41-R44 IonicContact OD1-NH2 3.18Å; D41-R44 PolarHBondContact OD1-NH2 3.14Å; D41-D45 WeakPolarHBondContact O-CB 3.34Å; D41-D45 PolarHBondContact O-N 3.1Å; D41-K260 VanDerWaalsContact CB-NZ 3.27Å; D41-K260 VanDerWaalsContact CG-NZ 3.33Å; D41-K260 IonicContact OD2-NZ 2.61Å; D41-K260 PolarHBondContact OD2-NZ 3.02Å
42Y91.6Very high87Confident5 Ų556.6 Ų56.62%0.0230%0.297CS..Hα-helixtrans-58.3-51.5175.2172.4-80.3000110.8D26 T38 D39 R44 D45 S46 Q248 P249 H395D26-Y42 WeakPolarHBondContact OD2-CE1 3.44Å; D26-Y42 PolarHBondContact OD2-OH 2.8Å; T38-Y42 WeakPolarHBondContact O-CB 3.46Å; T38-Y42 PolarHBondContact O-N 3.44Å; D39-Y42 WeakPolarHBondContact O-CB 3.46Å; D39-Y42 PolarHBondContact O-N 3.47Å; Y42-R44 VanDerWaalsContact C-N 3.33Å; Y42-R44 PolarHBondContact O-N 2.81Å; Y42-D45 PolarHBondContact O-N 3.08Å; Y42-S46 WeakPolarHBondContact O-CB 3.17Å; Y42-S46 PolarHBondContact O-N 2.92Å; Y42-Q248 HydrophobicContact CE2-CB 4.24Å; Y42-Q248 WeakPolarHBondContact OH-CB 3.09Å; Y42-Q248 VanDerWaalsContact OH-CG 3.29Å; Y42-Q248 WeakPolarHBondContact OH-CG 3.13Å; Y42-P249 HydrophobicContact CD2-CB 3.72Å; Y42-P249 HydrophobicContact CD2-CG 3.99Å; Y42-P249 HydrophobicContact CE2-CB 4.07Å; Y42-P249 HydrophobicContact CE2-CG 4.17Å; Y42-P249 VanDerWaalsContact CE2-O 3.29Å; Y42-P249 WeakPolarHBondContact CE2-O 3.45Å; Y42-P249 HydrophobicContact CG-CB 4.38Å; Y42-P249 HydrophobicContact CG-CG 4.33Å; Y42-H395 AromaticContact CD2-CD2 3.87Å; Y42-H395 AromaticContact CD2-CE1 3.83Å; Y42-H395 AromaticContact CD2-CG 3.95Å; Y42-H395 AromaticContact CD2-ND1 3.9Å; Y42-H395 AromaticContact CD2-NE2 3.82Å
43I92.5Very high88.7Confident24 Ų2457.8 Ų57.812%0.12330%0.299CS..Hα-helixtrans-60.2-47.2-178.2-71.6164.5000109.8C27 L35 D39 T40 D45 S46 L47C27-I43 HydrophobicContact CB-CG1 4.35Å; C27-I43 HydrophobicContact CB-CG2 4.08Å; C27-I43 WeakPolarHBondContact O-CD1 3.29Å; L35-I43 HydrophobicContact CD1-CD1 3.77Å; L35-I43 HydrophobicContact CD2-CD1 4.29Å; D39-I43 VanDerWaalsContact O-CG1 3.32Å; D39-I43 WeakPolarHBondContact O-CG1 3.45Å; D39-I43 PolarHBondContact O-N 3.4Å; T40-I43 PolarHBondContact O-N 3.03Å; I43-D45 PolarHBondContact O-N 2.89Å; I43-S46 PolarHBondContact O-N 3.18Å; I43-L47 HydrophobicContact CG2-CD1 3.83Å; I43-L47 HydrophobicContact CG2-CG 4.27Å; I43-L47 WeakPolarHBondContact O-CB 3.22Å; I43-L47 VanDerWaalsContact O-CG 3.3Å; I43-L47 WeakPolarHBondContact O-CG 3.46Å; I43-L47 PolarHBondContact O-N 2.96Å
44R92.3Very high90Very high143 Ų14354.4 Ų54.454%0.5428%0.275SS..Hα-helixtrans-59.7-45.7178.3177.1172.752.6162.3-3.2112.5T40 D41 Y42 N48T40-R44 WeakPolarHBondContact O-CB 3.46Å; T40-R44 PolarHBondContact O-N 3.4Å; D41-R44 IonicContact OD1-CZ 2.8Å; D41-R44 IonicContact OD1-NH2 3.18Å; D41-R44 PolarHBondContact OD1-NH2 3.14Å; Y42-R44 VanDerWaalsContact C-N 3.33Å; Y42-R44 PolarHBondContact O-N 2.81Å; R44-N48 VanDerWaalsContact O-CB 3.23Å; R44-N48 WeakPolarHBondContact O-CB 3.42Å; R44-N48 PolarHBondContact O-N 2.86Å; R44-N48 PolarHBondContact O-ND2 2.78Å
45D92.5Very high90.6Very high21 Ų2153.2 Ų53.211%0.11228%0.28CS..Hα-helixtrans-70.1-36.2-180-168.547.7000112.3D41 Y42 I43 T49 P249 R264D41-D45 WeakPolarHBondContact O-CB 3.34Å; D41-D45 PolarHBondContact O-N 3.1Å; Y42-D45 PolarHBondContact O-N 3.08Å; I43-D45 PolarHBondContact O-N 2.89Å; D45-T49 WeakPolarHBondContact O-CB 3.11Å; D45-T49 PolarHBondContact O-N 2.79Å; D45-T49 PolarHBondContact O-OG1 3.07Å; D45-T49 VanDerWaalsContact O-OG1 3.05Å; D45-P249 HydrophobicContact CB-CG 4.08Å; D45-R264 PolarHBondContact O-NH2 2.97Å; D45-R264 IonicContact OD2-NH2 2.74Å; D45-R264 PolarHBondContact OD2-NH2 3.47Å
46S94.6Very high90.8Very high0 Ų058.8 Ų58.80%030%0.302CS..Hα-helixtrans-61.1-54.6172.4179.70000111.6C27 Y42 I43 N48 T49 F50 Q248C27-S46 VanDerWaalsContact SG-CB 3.5Å; C27-S46 PolarHBondContact SG-OG 2.98Å; Y42-S46 WeakPolarHBondContact O-CB 3.17Å; Y42-S46 PolarHBondContact O-N 2.92Å; I43-S46 PolarHBondContact O-N 3.18Å; S46-N48 PolarHBondContact O-N 2.84Å; S46-T49 PolarHBondContact O-N 2.98Å; S46-T49 VanDerWaalsContact O-N 3.13Å; S46-F50 WeakPolarHBondContact O-CD2 3.21Å; S46-F50 PolarHBondContact O-N 3.32Å; S46-Q248 VanDerWaalsContact OG-CD 3.27Å; S46-Q248 PolarHBondContact OG-NE2 3.48Å; S46-Q248 VanDerWaalsContact OG-NE2 3.16Å; S46-Q248 PolarHBondContact OG-OE1 2.98Å
47L94.7Very high90.7Very high18 Ų1858.4 Ų58.49%0.09431%0.305CS..Hα-helixtrans-62.5-43.1-178-67.7-178.6000111.7C27 I43 T49 F50 F51 L59C27-L47 HydrophobicContact CB-CD2 4.04Å; C27-L47 HydrophobicContact CB-CG 4.3Å; I43-L47 HydrophobicContact CG2-CD1 3.83Å; I43-L47 HydrophobicContact CG2-CG 4.27Å; I43-L47 WeakPolarHBondContact O-CB 3.22Å; I43-L47 VanDerWaalsContact O-CG 3.3Å; I43-L47 WeakPolarHBondContact O-CG 3.46Å; I43-L47 PolarHBondContact O-N 2.96Å; L47-T49 PolarHBondContact O-N 3.08Å; L47-F50 PolarHBondContact O-N 3.28Å; L47-F51 HydrophobicContact CD2-CD2 3.87Å; L47-F51 HydrophobicContact CD2-CE2 4.12Å; L47-F51 WeakPolarHBondContact O-CA 3.42Å; L47-F51 WeakPolarHBondContact O-CB 3.11Å; L47-F51 PolarHBondContact O-N 3.18Å; L47-L59 HydrophobicContact CD1-CD1 4.3Å; L47-L59 HydrophobicContact CD2-CD1 3.85Å
48N93.9Very high90.9Very high72 Ų7252.8 Ų52.839%0.38529%0.287SS..Hα-helixtrans-60.7-32.1176.9-76.3-17.7000112.9R44 S46 R62R44-N48 VanDerWaalsContact O-CB 3.23Å; R44-N48 WeakPolarHBondContact O-CB 3.42Å; R44-N48 PolarHBondContact O-N 2.86Å; R44-N48 PolarHBondContact O-ND2 2.78Å; S46-N48 PolarHBondContact O-N 2.84Å; N48-R62 PolarHBondContact O-NE 3.27Å; N48-R62 PolarHBondContact O-NH2 3.19Å
49T95.8Very high91.3Very high0 Ų050.1 Ų50.10%027%0.27CS..Hα-helixtrans-73.1-37.8-179.7-730000113.2M1 S2 I3 D45 S46 L47 R62 R264M1-T49 WeakPolarHBondContact O-CA 3.39Å; M1-T49 VanDerWaalsContact O-CB 3.29Å; M1-T49 WeakPolarHBondContact O-CB 3.15Å; M1-T49 WeakPolarHBondContact O-CG2 3.48Å; M1-T49 PolarHBondContact O-OG1 3.19Å; S2-T49 WeakPolarHBondContact CA-O 3.41Å; I3-T49 HydrophobicContact CB-CG2 4.08Å; I3-T49 HydrophobicContact CD1-CG2 3.69Å; I3-T49 HydrophobicContact CG1-CG2 3.77Å; I3-T49 PolarHBondContact N-O 3.13Å; D45-T49 WeakPolarHBondContact O-CB 3.11Å; D45-T49 PolarHBondContact O-N 2.79Å; D45-T49 PolarHBondContact O-OG1 3.07Å; D45-T49 VanDerWaalsContact O-OG1 3.05Å; S46-T49 PolarHBondContact O-N 2.98Å; S46-T49 VanDerWaalsContact O-N 3.13Å; L47-T49 PolarHBondContact O-N 3.08Å; T49-R62 WeakPolarHBondContact O-CD 3.3Å; T49-R264 VanDerWaalsContact CB-NH2 3.33Å; T49-R264 PolarHBondContact OG1-NH2 2.58Å
50F96.7Very high91.7Very high2 Ų250.8 Ų50.81%0.00928%0.275CS..Hα-helixtrans-109.1-18.1-171-65.5-65.9000114I3 F19 F20 V23 S46 L47 R62 L247I3-F50 HydrophobicContact CB-CD1 4.35Å; I3-F50 HydrophobicContact CB-CE1 4.03Å; I3-F50 HydrophobicContact CD1-CE1 3.88Å; I3-F50 HydrophobicContact CD1-CZ 4.01Å; I3-F50 HydrophobicContact CG2-CE1 4.27Å; F19-F50 AromaticContact CE1-CD1 3.81Å; F19-F50 HydrophobicContact CE1-CD1 3.81Å; F19-F50 AromaticContact CE1-CE1 3.67Å; F19-F50 HydrophobicContact CE1-CE1 3.67Å; F19-F50 HydrophobicContact CE1-CZ 4.31Å; F19-F50 HydrophobicContact CZ-CD1 4.19Å; F19-F50 AromaticContact CZ-CE1 3.62Å; F19-F50 HydrophobicContact CZ-CE1 3.62Å; F19-F50 AromaticContact CZ-CZ 3.85Å; F19-F50 HydrophobicContact CZ-CZ 3.85Å; F20-F50 HydrophobicContact CD1-CB 4.32Å; F20-F50 HydrophobicContact CE1-CB 3.97Å; F20-F50 VanDerWaalsContact CE1-O 3.26Å; F20-F50 WeakPolarHBondContact CE1-O 3.47Å; V23-F50 HydrophobicContact CG1-CB 4.29Å; V23-F50 HydrophobicContact CG1-CD2 3.57Å; V23-F50 HydrophobicContact CG1-CE2 4.23Å; V23-F50 HydrophobicContact CG1-CG 4.17Å; V23-F50 HydrophobicContact CG2-CD2 4.22Å; V23-F50 HydrophobicContact CG2-CE2 4.31Å; S46-F50 WeakPolarHBondContact O-CD2 3.21Å; S46-F50 PolarHBondContact O-N 3.32Å; L47-F50 PolarHBondContact O-N 3.28Å; F50-R62 WeakPolarHBondContact O-CB 3.31Å; F50-R62 WeakPolarHBondContact O-CG 3.45Å; F50-R62 PolarHBondContact O-N 3.32Å; F50-L247 HydrophobicContact CZ-CB 4.09Å
51F96.5Very high92Very high2 Ų247.6 Ų47.61%0.00926%0.255CS..EExtended strand (participates in β ladder)trans-128.6151.6-175.4-58.2-88.8000111.9F20 V23 L47 L59 T60 A61 R62 W85F20-F51 HydrophobicContact CB-CE1 4.28Å; F20-F51 HydrophobicContact CB-CZ 4.08Å; F20-F51 HydrophobicContact CD1-CD1 4.49Å; F20-F51 AromaticContact CD1-CE1 3.77Å; F20-F51 HydrophobicContact CD1-CE1 3.77Å; F20-F51 HydrophobicContact CD1-CE2 4.26Å; F20-F51 AromaticContact CD1-CZ 3.65Å; F20-F51 HydrophobicContact CD1-CZ 3.65Å; F20-F51 HydrophobicContact CG-CE1 4.34Å; F20-F51 HydrophobicContact CG-CZ 4.32Å; V23-F51 HydrophobicContact CB-CE2 4.46Å; V23-F51 HydrophobicContact CG1-CE2 3.94Å; L47-F51 HydrophobicContact CD2-CD2 3.87Å; L47-F51 HydrophobicContact CD2-CE2 4.12Å; L47-F51 WeakPolarHBondContact O-CA 3.42Å; L47-F51 WeakPolarHBondContact O-CB 3.11Å; L47-F51 PolarHBondContact O-N 3.18Å; F51-L59 HydrophobicContact CB-CB 4.16Å; F51-L59 HydrophobicContact CB-CD2 4.08Å; F51-L59 HydrophobicContact CD1-CB 3.98Å; F51-L59 HydrophobicContact CG-CB 4.18Å; F51-T60 CarbonylContact C-O 3.54Å; F51-T60 VanDerWaalsContact CA-O 3.23Å; F51-T60 WeakPolarHBondContact CA-O 3.39Å; F51-A61 HydrophobicContact CD1-CB 4.4Å; F51-A61 HydrophobicContact CE1-CB 4.35Å; F51-R62 PolarHBondContact O-NE 3.27Å; F51-R62 PolarHBondContact O-NH2 3.05Å; F51-W85 HydrophobicContact CD1-CB 4.32Å; F51-W85 HydrophobicContact CE1-CB 3.87Å; F51-W85 AromaticContact CE1-CD2 3.95Å; F51-W85 HydrophobicContact CE1-CD2 3.95Å; F51-W85 AromaticContact CE1-CE3 3.86Å; F51-W85 HydrophobicContact CE1-CE3 3.86Å; F51-W85 AromaticContact CE1-CG 3.97Å; F51-W85 HydrophobicContact CE1-CG 3.97Å; F51-W85 HydrophobicContact CZ-CG 4.46Å
52Y94.6Very high92.3Very high45 Ų4547 Ų4718%0.17625%0.251CS..EExtended strand (participates in β ladder)trans-87.3132.4157.4-58.1-77000108.3L59 T60 R62 Q125 N128Y52-L59 WeakPolarHBondContact O-CA 3.47Å; Y52-T60 PolarHBondContact N-O 3.44Å; Y52-T60 PolarHBondContact O-N 3.37Å; Y52-R62 HydrophobicContact CD1-CG 4.41Å; Y52-R62 HydrophobicContact CD2-CG 3.73Å; Y52-R62 HydrophobicContact CE1-CG 4.2Å; Y52-R62 VanDerWaalsContact CE1-CZ 3.45Å; Y52-R62 HydrophobicContact CE2-CB 4.1Å; Y52-R62 HydrophobicContact CE2-CG 3.49Å; Y52-R62 VanDerWaalsContact CE2-CG 3.49Å; Y52-R62 HydrophobicContact CG-CG 4.19Å; Y52-Q125 PolarHBondContact OH-O 3.03Å; Y52-Q125 PolarHBondContact OH-OE1 3.13Å; Y52-N128 HydrophobicContact CE1-CB 3.85Å; Y52-N128 WeakPolarHBondContact CE1-O 3.36Å
53Q91.7Very high92.6Very high123 Ų12346.9 Ų46.958%0.57525%0.25SS*.EExtended strand (participates in β ladder)trans-105.1120.7176.3-170.6172.814.700109.7L59Q53-L59 HydrophobicContact CB-CD2 4Å; Q53-L59 HydrophobicContact CG-CD2 3.97Å
54S87.4Confident92.9Very high51 Ų5145.8 Ų45.836%0.35725%0.245SC..  trans-76.2164.1173.468.70000111.7K56 G57 C58S54-K56 PolarHBondContact O-N 2.85Å; S54-K56 VanDerWaalsContact O-N 3.14Å; S54-G57 PolarHBondContact O-N 3.3Å; S54-C58 PolarHBondContact N-O 3.42Å; S54-C58 WeakPolarHBondContact OG-CB 2.99Å; S54-C58 PolarHBondContact OG-N 3.1Å; S54-C58 VanDerWaalsContact OG-N 3.09Å; S54-C58 PolarHBondContact OG-O 2.85Å; S54-C58 VanDerWaalsContact OG-O 3.12Å
55S83.2Confident93.1Very high133 Ų13339 Ų3993%0.9322%0.219SC*.THydrogen-bonded Turntrans-59.7-22.917455.60000113.8G57S55-G57 VanDerWaalsContact C-N 3.3Å
56K83.1Confident93.4Very high187 Ų18738 Ų3881%0.81321%0.214SC*.THydrogen-bonded Turntrans-84.8-0.9175.1-64.8-175.5179-179.40113.4S54 C58S54-K56 PolarHBondContact O-N 2.85Å; S54-K56 VanDerWaalsContact O-N 3.14Å; K56-C58 VanDerWaalsContact C-N 3.3Å; K56-C58 PolarHBondContact O-N 2.91Å
57G83.9Confident93.5Very high37 Ų3738.2 Ų38.238%0.38122%0.215SC..SBendtrans83.5-4.9-177.100000115S54 S55S54-G57 PolarHBondContact O-N 3.3Å; S55-G57 VanDerWaalsContact C-N 3.3Å
58C89.9Confident93.5Very high53 Ų5337.3 Ų37.336%0.35821%0.211SC..  trans-64.3136.2174.8-51.50000110.5S54 K56S54-C58 PolarHBondContact N-O 3.42Å; S54-C58 WeakPolarHBondContact OG-CB 2.99Å; S54-C58 PolarHBondContact OG-N 3.1Å; S54-C58 VanDerWaalsContact OG-N 3.09Å; S54-C58 PolarHBondContact OG-O 2.85Å; S54-C58 VanDerWaalsContact OG-O 3.12Å; K56-C58 VanDerWaalsContact C-N 3.3Å; K56-C58 PolarHBondContact O-N 2.91Å
59L94.7Very high93.5Very high10 Ų1038.8 Ų38.85%0.05222%0.215CC..EExtended strand (participates in β ladder)trans-102.2128.6-179.5-62.8174.1000111.2Y24 L47 F51 Y52 Q53 W85 G86Y24-L59 HydrophobicContact CD2-CD1 3.79Å; Y24-L59 HydrophobicContact CE2-CD1 3.77Å; L47-L59 HydrophobicContact CD1-CD1 4.3Å; L47-L59 HydrophobicContact CD2-CD1 3.85Å; F51-L59 HydrophobicContact CB-CB 4.16Å; F51-L59 HydrophobicContact CB-CD2 4.08Å; F51-L59 HydrophobicContact CD1-CB 3.98Å; F51-L59 HydrophobicContact CG-CB 4.18Å; Y52-L59 WeakPolarHBondContact O-CA 3.47Å; Q53-L59 HydrophobicContact CB-CD2 4Å; Q53-L59 HydrophobicContact CG-CD2 3.97Å; L59-W85 HydrophobicContact CB-CB 3.82Å; L59-W85 CarbonylContact O-C 3.4Å; L59-W85 WeakPolarHBondContact O-CA 3.35Å; L59-G86 PolarHBondContact O-N 2.81Å
60T95.5Very high93.4Very high44 Ų4444 Ų4427%0.2724%0.239SC..EExtended strand (participates in β ladder)trans-114.6126.1176-560000109.5F51 Y52 R62 G86F51-T60 CarbonylContact C-O 3.54Å; F51-T60 VanDerWaalsContact CA-O 3.23Å; F51-T60 WeakPolarHBondContact CA-O 3.39Å; Y52-T60 PolarHBondContact N-O 3.44Å; Y52-T60 PolarHBondContact O-N 3.37Å; T60-R62 PolarHBondContact O-N 3Å; T60-G86 CarbonylContact C-O 3.52Å; T60-G86 WeakPolarHBondContact CA-O 3.48Å
61A96.9Very high93.2Very high0 Ų052.1 Ų52.10%028%0.275CS..EExtended strand (participates in β ladder)trans-60.7135.4179.400000112F20 F51 C63 W85 G86 Y87F20-A61 HydrophobicContact CD1-CB 3.95Å; F20-A61 HydrophobicContact CD2-CB 3.86Å; F20-A61 HydrophobicContact CE1-CB 3.85Å; F20-A61 HydrophobicContact CE2-CB 3.72Å; F20-A61 HydrophobicContact CG-CB 3.97Å; F20-A61 HydrophobicContact CZ-CB 3.74Å; F51-A61 HydrophobicContact CD1-CB 4.4Å; F51-A61 HydrophobicContact CE1-CB 4.35Å; A61-C63 PolarHBondContact O-N 3.02Å; A61-C63 VanDerWaalsContact O-N 3.15Å; A61-W85 HydrophobicContact CB-CE3 4.3Å; A61-W85 HydrophobicContact CB-CZ3 4.2Å; A61-G86 PolarHBondContact N-O 2.9Å; A61-Y87 HydrophobicContact CB-CD1 4.27Å; A61-Y87 HydrophobicContact CB-CE1 4.37Å
62R97.2Very high93.1Very high18 Ų1852.8 Ų52.87%0.06828%0.279CS..  trans-8085.4172.3-65.7178.8-179.3-95.9-1.2109.4S2 S5 N48 T49 F50 F51 Y52 T60 C129S2-R62 PolarHBondContact OG-NH1 3.09Å; S2-R62 VanDerWaalsContact OG-NH1 3.1Å; S5-R62 PolarHBondContact N-O 3.15Å; N48-R62 PolarHBondContact O-NE 3.27Å; N48-R62 PolarHBondContact O-NH2 3.19Å; T49-R62 WeakPolarHBondContact O-CD 3.3Å; F50-R62 WeakPolarHBondContact O-CB 3.31Å; F50-R62 WeakPolarHBondContact O-CG 3.45Å; F50-R62 PolarHBondContact O-N 3.32Å; F51-R62 PolarHBondContact O-NE 3.27Å; F51-R62 PolarHBondContact O-NH2 3.05Å; Y52-R62 HydrophobicContact CD1-CG 4.41Å; Y52-R62 HydrophobicContact CD2-CG 3.73Å; Y52-R62 HydrophobicContact CE1-CG 4.2Å; Y52-R62 VanDerWaalsContact CE1-CZ 3.45Å; Y52-R62 HydrophobicContact CE2-CB 4.1Å; Y52-R62 HydrophobicContact CE2-CG 3.49Å; Y52-R62 VanDerWaalsContact CE2-CG 3.49Å; Y52-R62 HydrophobicContact CG-CG 4.19Å; T60-R62 PolarHBondContact O-N 3Å; R62-C129 PolarHBondContact NH1-SG 3.5Å
63C97.1Very high93.1Very high1 Ų150.9 Ų50.91%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-155.2159.7-176.764.40000114.5S5 F20 A61 Y87 S91S5-C63 CarbonylContact O-C 3.56Å; S5-C63 WeakPolarHBondContact O-CA 3.42Å; S5-C63 WeakPolarHBondContact O-CB 3.42Å; F20-C63 HydrophobicContact CE2-CB 3.81Å; F20-C63 HydrophobicContact CZ-CB 4Å; A61-C63 PolarHBondContact O-N 3.02Å; A61-C63 VanDerWaalsContact O-N 3.15Å; C63-Y87 WeakPolarHBondContact SG-CD1 3.49Å; C63-Y87 WeakPolarHBondContact SG-CE1 3.25Å; C63-S91 VanDerWaalsContact O-CB 3.23Å; C63-S91 WeakPolarHBondContact O-CB 3.45Å
64V97.9Very high93.3Very high1 Ų148 Ų481%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-115.3123.6163.1-177.50000108.5S5 L6 Q7 V66 S91 L121 I122 Q125S5-V64 PolarHBondContact O-N 3.43Å; L6-V64 HydrophobicContact CD1-CB 3.86Å; L6-V64 HydrophobicContact CD1-CG1 4.1Å; Q7-V64 PolarHBondContact N-O 3.49Å; V64-V66 HydrophobicContact CG1-CG2 4Å; V64-S91 WeakPolarHBondContact CA-O 3.33Å; V64-L121 HydrophobicContact CG1-CB 3.87Å; V64-L121 HydrophobicContact CG1-CD1 4.2Å; V64-L121 HydrophobicContact CG2-CB 4.27Å; V64-I122 HydrophobicContact CB-CG1 4.49Å; V64-I122 HydrophobicContact CG2-CG1 4.12Å; V64-Q125 HydrophobicContact CG2-CB 4.33Å; V64-Q125 HydrophobicContact CG2-CG 3.53Å
65Q98.2Very high93.6Very high1 Ų149.3 Ų49.31%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-96.8127.5174.1-61.2177.4-70.900109.4N13 I73 Y87 S91 F92 F93N13-Q65 WeakPolarHBondContact OD1-CB 3.38Å; Q65-I73 HydrophobicContact CB-CD1 3.94Å; Q65-I73 HydrophobicContact CB-CG1 4.2Å; Q65-Y87 VanDerWaalsContact CD-CD1 3.42Å; Q65-Y87 VanDerWaalsContact CD-CE1 3.44Å; Q65-Y87 HydrophobicContact CG-CD1 4.08Å; Q65-Y87 HydrophobicContact CG-CE1 3.92Å; Q65-Y87 VanDerWaalsContact NE2-CE1 3.31Å; Q65-S91 PolarHBondContact N-O 2.84Å; Q65-F92 HydrophobicContact CB-CB 3.82Å; Q65-F92 CarbonylContact O-C 3.42Å; Q65-F92 WeakPolarHBondContact O-CA 3.28Å; Q65-F93 PolarHBondContact O-N 2.96Å
66V97.6Very high94.1Very high0 Ų043.4 Ų43.40%024%0.236CC..EExtended strand (participates in β ladder)trans-125.9122.7178.9-178.80000108L6 Q7 I8 G9 N13 V64 M68 F93 I118 V149 I153L6-V66 HydrophobicContact CD1-CG2 4.02Å; Q7-V66 PolarHBondContact O-N 3.26Å; I8-V66 WeakPolarHBondContact CA-O 3.32Å; I8-V66 HydrophobicContact CG2-CB 4.43Å; I8-V66 HydrophobicContact CG2-CG1 4.48Å; G9-V66 PolarHBondContact N-O 3.18Å; N13-V66 PolarHBondContact ND2-O 2.93Å; V64-V66 HydrophobicContact CG1-CG2 4Å; V66-M68 HydrophobicContact CG1-CE 3.81Å; V66-F93 HydrophobicContact CG1-CD1 4.38Å; V66-I118 HydrophobicContact CG1-CD1 3.79Å; V66-I118 HydrophobicContact CG1-CG1 4.39Å; V66-I118 HydrophobicContact CG2-CG1 4.44Å; V66-I118 HydrophobicContact CG2-CG2 3.98Å; V66-V149 HydrophobicContact CG1-CG1 4.41Å; V66-I153 HydrophobicContact CG1-CD1 4.44Å
67D96.9Very high94.5Very high4 Ų437 Ų372%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-145.3152.6169.1-150.1-39.5000109.2Q10 N13 E69 I73 F93 T94 S95Q10-D67 WeakPolarHBondContact CA-OD2 3.2Å; Q10-D67 PolarHBondContact N-OD2 3.17Å; N13-D67 PolarHBondContact ND2-OD2 2.88Å; D67-E69 WeakPolarHBondContact CB-O 3.45Å; D67-E69 PolarHBondContact OD1-N 2.9Å; D67-I73 HydrophobicContact CB-CD1 3.63Å; D67-I73 HydrophobicContact CB-CG1 4.17Å; D67-F93 PolarHBondContact N-O 3.05Å; D67-T94 VanDerWaalsContact O-CA 3.24Å; D67-T94 WeakPolarHBondContact O-CA 3.34Å; D67-S95 PolarHBondContact O-N 3.49Å
68M95.9Very high94.8Very high0 Ų044 Ų440%023%0.233CC..SBendtrans-89.82.7173.6-61.8-58.8115.200111.9V66 F93 S95 C97 H110 F114 T145 V149V66-M68 HydrophobicContact CG1-CE 3.81Å; M68-F93 HydrophobicContact CE-CD1 3.77Å; M68-F93 HydrophobicContact CE-CE1 3.64Å; M68-F93 HydrophobicContact SD-CE1 4.18Å; M68-S95 CarbonylContact C-O 3.41Å; M68-S95 CarbonylContact O-C 3.56Å; M68-S95 VanDerWaalsContact O-C 3.3Å; M68-C97 WeakPolarHBondContact CB-O 3.38Å; M68-C97 CarbonylContact O-C 3.58Å; M68-C97 PolarHBondContact O-N 3.25Å; M68-H110 HydrophobicContact CG-CB 4.42Å; M68-H110 HydrophobicContact SD-CB 4.01Å; M68-F114 HydrophobicContact SD-CD2 3.88Å; M68-F114 HydrophobicContact SD-CE2 4.13Å; M68-T145 HydrophobicContact CB-CG2 4.46Å; M68-T145 HydrophobicContact CE-CG2 4.4Å; M68-T145 HydrophobicContact CG-CG2 3.81Å; M68-V149 HydrophobicContact CE-CG1 4.28Å; M68-V149 HydrophobicContact CE-CG2 4.42Å; M68-V149 HydrophobicContact CG-CG2 4.36Å
69E93.4Very high94.7Very high103 Ų10346 Ų4648%0.48125%0.247SC..SBendtrans-133.6139.3174.7-63.2-179.474.200111.2D67 K71D67-E69 WeakPolarHBondContact CB-O 3.45Å; D67-E69 PolarHBondContact OD1-N 2.9Å; E69-K71 PolarHBondContact O-N 3.09Å
70E92.6Very high94.3Very high109 Ų10946.4 Ų46.451%0.50925%0.25SS..Hα-helixtrans-74.6-24.9-175-66.6174.2-168.700114.2V72 I73 A74 T94E70-V72 PolarHBondContact O-N 3.43Å; E70-I73 PolarHBondContact O-N 3.39Å; E70-A74 WeakPolarHBondContact O-CB 3.22Å; E70-A74 PolarHBondContact O-N 3.46Å; E70-T94 HydrophobicContact CB-CG2 4.43Å; E70-T94 HydrophobicContact CG-CG2 4.03Å
71K93.4Very high93.7Very high172 Ų17246.7 Ų46.775%0.74825%0.253SS*.Hα-helixtrans-57.2-44.9-166.1-176.8-178.2177.8-1760113E69 S75E69-K71 PolarHBondContact O-N 3.09Å; K71-S75 WeakPolarHBondContact O-CB 3.42Å; K71-S75 PolarHBondContact O-N 3.22Å
72V94.2Very high92.7Very high16 Ų1651.3 Ų51.310%0.09728%0.283CS..Hα-helixtrans-73.3-45.6-173.9-1780000110.3Q10 N13 Q14 E70 A74 S75 V76Q10-V72 HydrophobicContact CB-CG2 3.88Å; Q10-V72 HydrophobicContact CG-CG1 4.21Å; Q10-V72 HydrophobicContact CG-CG2 3.64Å; N13-V72 HydrophobicContact CB-CG1 4.06Å; Q14-V72 HydrophobicContact CG-CG1 4.08Å; E70-V72 PolarHBondContact O-N 3.43Å; V72-A74 VanDerWaalsContact C-N 3.35Å; V72-A74 PolarHBondContact O-N 3.05Å; V72-S75 WeakPolarHBondContact O-CB 3.19Å; V72-S75 PolarHBondContact O-N 3.34Å; V72-S75 VanDerWaalsContact O-N 3.15Å; V72-V76 HydrophobicContact CG1-CG1 4.33Å; V72-V76 WeakPolarHBondContact O-CG2 3.31Å; V72-V76 PolarHBondContact O-N 2.76Å
73I94.9Very high91.8Very high6 Ų659 Ų593%0.03132%0.32CS..Hα-helixtrans-60-45.8177.3-71172.6000110.4Q65 D67 E70 S75 V76 T77 F92 T94Q65-I73 HydrophobicContact CB-CD1 3.94Å; Q65-I73 HydrophobicContact CB-CG1 4.2Å; D67-I73 HydrophobicContact CB-CD1 3.63Å; D67-I73 HydrophobicContact CB-CG1 4.17Å; E70-I73 PolarHBondContact O-N 3.39Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 2.85Å; I73-V76 WeakPolarHBondContact O-CG2 3.14Å; I73-V76 PolarHBondContact O-N 3.39Å; I73-T77 VanDerWaalsContact O-CB 3.3Å; I73-T77 WeakPolarHBondContact O-CB 3.46Å; I73-T77 PolarHBondContact O-N 3.34Å; I73-T77 PolarHBondContact O-OG1 2.84Å; I73-F92 HydrophobicContact CD1-CB 4.43Å; I73-F92 HydrophobicContact CG2-CB 4.19Å; I73-F92 HydrophobicContact CG2-CD2 4.13Å; I73-F92 HydrophobicContact CG2-CG 4.13Å; I73-T94 HydrophobicContact CB-CG2 4.36Å; I73-T94 HydrophobicContact CD1-CG2 3.53Å; I73-T94 HydrophobicContact CG1-CG2 4.44Å
74A94.5Very high91.4Very high62 Ų6264.1 Ų64.151%0.51234%0.342SS..Hα-helixtrans-59.8-42.2175.400000112.2E70 V72 K78E70-A74 WeakPolarHBondContact O-CB 3.22Å; E70-A74 PolarHBondContact O-N 3.46Å; V72-A74 VanDerWaalsContact C-N 3.35Å; V72-A74 PolarHBondContact O-N 3.05Å; A74-K78 VanDerWaalsContact O-CB 3.29Å; A74-K78 WeakPolarHBondContact O-CB 3.28Å; A74-K78 PolarHBondContact O-N 2.81Å
75S94.3Very high91.2Very high78 Ų7864.6 Ų64.655%0.54534%0.344SS..Hα-helixtrans-65.3-48.1178.7-173.40000112.6K71 V72 I73 K78 S79K71-S75 WeakPolarHBondContact O-CB 3.42Å; K71-S75 PolarHBondContact O-N 3.22Å; V72-S75 WeakPolarHBondContact O-CB 3.19Å; V72-S75 PolarHBondContact O-N 3.34Å; V72-S75 VanDerWaalsContact O-N 3.15Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 2.85Å; S75-K78 PolarHBondContact O-N 3.3Å; S75-S79 PolarHBondContact O-N 2.66Å
76V93.3Very high91Very high10 Ų1065 Ų656%0.06135%0.349CS..Hα-helixtrans-67.8-40.8-178.9-61.40000110.9A17 V72 I73 K78 S79 T80 Y87A17-V76 HydrophobicContact CB-CB 3.9Å; A17-V76 HydrophobicContact CB-CG1 4.07Å; V72-V76 HydrophobicContact CG1-CG1 4.33Å; V72-V76 WeakPolarHBondContact O-CG2 3.31Å; V72-V76 PolarHBondContact O-N 2.76Å; I73-V76 WeakPolarHBondContact O-CG2 3.14Å; I73-V76 PolarHBondContact O-N 3.39Å; V76-K78 VanDerWaalsContact C-N 3.33Å; V76-K78 PolarHBondContact O-N 2.98Å; V76-S79 WeakPolarHBondContact CA-OG 3.11Å; V76-S79 PolarHBondContact O-N 3.42Å; V76-S79 VanDerWaalsContact O-N 3.09Å; V76-S79 PolarHBondContact O-OG 3.36Å; V76-T80 WeakPolarHBondContact O-CG2 3.46Å; V76-T80 PolarHBondContact O-N 3.01Å; V76-Y87 HydrophobicContact CG2-CE2 4.39Å
77T92.4Very high90.9Very high52 Ų5266.1 Ų66.132%0.31935%0.353SS..Hα-helixtrans-61.8-42176.3-62.60000111.2I73 S79 T80I73-T77 VanDerWaalsContact O-CB 3.3Å; I73-T77 WeakPolarHBondContact O-CB 3.46Å; I73-T77 PolarHBondContact O-N 3.34Å; I73-T77 PolarHBondContact O-OG1 2.84Å; T77-S79 VanDerWaalsContact C-N 3.3Å; T77-S79 PolarHBondContact O-N 3.07Å; T77-T80 PolarHBondContact O-N 3.32Å; T77-T80 PolarHBondContact O-OG1 3.31Å
78K90.4Very high90.7Very high184 Ų18467.1 Ų67.180%0.836%0.361SS*.Hα-helixtrans-66.5-29.5175.1-172.7178179.6-177.80113.4A74 S75 V76 T80A74-K78 VanDerWaalsContact O-CB 3.29Å; A74-K78 WeakPolarHBondContact O-CB 3.28Å; A74-K78 PolarHBondContact O-N 2.81Å; S75-K78 PolarHBondContact O-N 3.3Å; V76-K78 VanDerWaalsContact C-N 3.33Å; V76-K78 PolarHBondContact O-N 2.98Å; K78-T80 VanDerWaalsContact C-N 3.26Å
79S87Confident90.4Very high94 Ų9471.7 Ų71.766%0.65739%0.391SS*.Hα-helixtrans-75-16.3177.674.70000113.5S75 V76 T77S75-S79 PolarHBondContact O-N 2.66Å; V76-S79 WeakPolarHBondContact CA-OG 3.11Å; V76-S79 PolarHBondContact O-N 3.42Å; V76-S79 VanDerWaalsContact O-N 3.09Å; V76-S79 PolarHBondContact O-OG 3.36Å; T77-S79 VanDerWaalsContact C-N 3.3Å; T77-S79 PolarHBondContact O-N 3.07Å
80T86.5Confident90.3Very high19 Ų1972.9 Ų72.912%0.11740%0.4CS..SBendtrans-73.9156.917371.40000111.4V76 T77 K78 W85 Y87V76-T80 WeakPolarHBondContact O-CG2 3.46Å; V76-T80 PolarHBondContact O-N 3.01Å; T77-T80 PolarHBondContact O-N 3.32Å; T77-T80 PolarHBondContact O-OG1 3.31Å; K78-T80 VanDerWaalsContact C-N 3.26Å; T80-W85 HydrophobicContact CG2-CE3 4.34Å; T80-W85 HydrophobicContact CG2-CH2 3.51Å; T80-W85 HydrophobicContact CG2-CZ2 3.92Å; T80-W85 HydrophobicContact CG2-CZ3 3.75Å; T80-Y87 HydrophobicContact CG2-CD2 3.67Å; T80-Y87 HydrophobicContact CG2-CE2 3.7Å
81C82.2Confident90.4Very high50 Ų5067.9 Ų67.934%0.33838%0.377SS..BIsolated β-bridgetrans-113.4104177.5-179.70000108.2E83 K84 W85C81-E83 PolarHBondContact O-N 3.48Å; C81-K84 HydrophobicContact CB-CB 4.18Å; C81-K84 HydrophobicContact CB-CD 4.2Å; C81-K84 HydrophobicContact CB-CG 4.22Å; C81-K84 CarbonylContact O-C 3.54Å; C81-K84 WeakPolarHBondContact O-CA 3.5Å; C81-K84 WeakPolarHBondContact O-CB 3.44Å; C81-K84 PolarHBondContact O-N 2.91Å; C81-W85 CarbonylContact C-O 3.25Å; C81-W85 VanDerWaalsContact C-O 3.3Å; C81-W85 PolarHBondContact N-O 3.48Å; C81-W85 CarbonylContact O-C 3.55Å; C81-W85 PolarHBondContact O-N 3.46Å
82P76.1Confident90.5Very high97 Ų9763.6 Ų63.663%0.6336%0.359SS*.THydrogen-bonded Turntrans-56.7-24.5-174.7-2835.3000115.1K84P82-K84 VanDerWaalsContact C-N 3.27Å
83E79.6Confident90.6Very high181 Ų18164.2 Ų64.285%0.84636%0.36SS*.THydrogen-bonded Turntrans-69.3-26173.5-62-178.517300112.7C81C81-E83 PolarHBondContact O-N 3.48Å
84K87.2Confident90.7Very high107 Ų10765.5 Ų65.547%0.46537%0.369SS..THydrogen-bonded Turntrans-96-68.7176.7-66.2-175174.7-173.70110.8Y24 C81 P82Y24-K84 HydrophobicContact CE1-CB 3.83Å; Y24-K84 HydrophobicContact CE1-CD 3.84Å; Y24-K84 HydrophobicContact CE1-CG 4.07Å; Y24-K84 HydrophobicContact CE2-CB 4.06Å; Y24-K84 WeakPolarHBondContact CE2-O 3.32Å; Y24-K84 WeakPolarHBondContact OH-CB 3.31Å; Y24-K84 WeakPolarHBondContact OH-CG 3.31Å; C81-K84 HydrophobicContact CB-CB 4.18Å; C81-K84 HydrophobicContact CB-CD 4.2Å; C81-K84 HydrophobicContact CB-CG 4.22Å; C81-K84 CarbonylContact O-C 3.54Å; C81-K84 WeakPolarHBondContact O-CA 3.5Å; C81-K84 WeakPolarHBondContact O-CB 3.44Å; C81-K84 PolarHBondContact O-N 2.91Å; P82-K84 VanDerWaalsContact C-N 3.27Å
85W94.1Very high90.5Very high11 Ų1163.5 Ų63.54%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-160.2157.7176.273.1-87.6000110.6F20 S21 Y24 F51 L59 A61 T80 C81 Y87F20-W85 HydrophobicContact CB-CD2 4.48Å; F20-W85 HydrophobicContact CB-CE3 4.15Å; F20-W85 HydrophobicContact CB-CH2 3.53Å; F20-W85 HydrophobicContact CB-CZ2 3.9Å; F20-W85 HydrophobicContact CB-CZ3 3.67Å; F20-W85 HydrophobicContact CG-CH2 4.49Å; F20-W85 HydrophobicContact CG-CZ3 4.27Å; S21-W85 WeakPolarHBondContact OG-CZ2 3.4Å; Y24-W85 AromaticContact CD1-CD1 3.87Å; Y24-W85 HydrophobicContact CD2-CB 4.16Å; Y24-W85 AromaticContact CD2-CD1 3.7Å; Y24-W85 HydrophobicContact CD2-CG 4.22Å; Y24-W85 AromaticContact CG-CD1 3.43Å; Y24-W85 VanDerWaalsContact CG-CD1 3.43Å; Y24-W85 HydrophobicContact CG-CG 4.3Å; F51-W85 HydrophobicContact CD1-CB 4.32Å; F51-W85 HydrophobicContact CE1-CB 3.87Å; F51-W85 AromaticContact CE1-CD2 3.95Å; F51-W85 HydrophobicContact CE1-CD2 3.95Å; F51-W85 AromaticContact CE1-CE3 3.86Å; F51-W85 HydrophobicContact CE1-CE3 3.86Å; F51-W85 AromaticContact CE1-CG 3.97Å; F51-W85 HydrophobicContact CE1-CG 3.97Å; F51-W85 HydrophobicContact CZ-CG 4.46Å; L59-W85 HydrophobicContact CB-CB 3.82Å; L59-W85 CarbonylContact O-C 3.4Å; L59-W85 WeakPolarHBondContact O-CA 3.35Å; A61-W85 HydrophobicContact CB-CE3 4.3Å; A61-W85 HydrophobicContact CB-CZ3 4.2Å; T80-W85 HydrophobicContact CG2-CE3 4.34Å; T80-W85 HydrophobicContact CG2-CH2 3.51Å; T80-W85 HydrophobicContact CG2-CZ2 3.92Å; T80-W85 HydrophobicContact CG2-CZ3 3.75Å; C81-W85 CarbonylContact C-O 3.25Å; C81-W85 VanDerWaalsContact C-O 3.3Å; C81-W85 PolarHBondContact N-O 3.48Å; C81-W85 CarbonylContact O-C 3.55Å; C81-W85 PolarHBondContact O-N 3.46Å; W85-Y87 AromaticContact CH2-CE2 3.92Å; W85-Y87 HydrophobicContact CH2-CE2 3.92Å; W85-Y87 HydrophobicContact CZ3-CD2 4.15Å; W85-Y87 AromaticContact CZ3-CE2 3.82Å; W85-Y87 HydrophobicContact CZ3-CE2 3.82Å
86G94.8Very high90.2Very high11 Ų1168.8 Ų68.811%0.11336%0.364CS..EExtended strand (participates in β ladder)trans-155.2-177.7176.100000114.2L59 T60 A61L59-G86 PolarHBondContact O-N 2.81Å; T60-G86 CarbonylContact C-O 3.52Å; T60-G86 WeakPolarHBondContact CA-O 3.48Å; A61-G86 PolarHBondContact N-O 2.9Å
87Y95.1Very high89.9Confident22 Ų2271.8 Ų71.89%0.08638%0.384CS..  trans-90.4148.1175.1-72.7-82.9000111.6Q7 A17 F20 A61 C63 Q65 V76 T80 W85Q7-Y87 PolarHBondContact OE1-OH 3.35Å; Q7-Y87 VanDerWaalsContact OE1-OH 3.13Å; A17-Y87 WeakPolarHBondContact CA-OH 3.38Å; A17-Y87 HydrophobicContact CB-CE2 4.36Å; A17-Y87 VanDerWaalsContact CB-OH 3.31Å; A17-Y87 WeakPolarHBondContact CB-OH 3.39Å; A17-Y87 PolarHBondContact N-OH 3.39Å; A17-Y87 VanDerWaalsContact N-OH 3.17Å; F20-Y87 HydrophobicContact CD2-CE1 4.48Å; A61-Y87 HydrophobicContact CB-CD1 4.27Å; A61-Y87 HydrophobicContact CB-CE1 4.37Å; C63-Y87 WeakPolarHBondContact SG-CD1 3.49Å; C63-Y87 WeakPolarHBondContact SG-CE1 3.25Å; Q65-Y87 VanDerWaalsContact CD-CD1 3.42Å; Q65-Y87 VanDerWaalsContact CD-CE1 3.44Å; Q65-Y87 HydrophobicContact CG-CD1 4.08Å; Q65-Y87 HydrophobicContact CG-CE1 3.92Å; Q65-Y87 VanDerWaalsContact NE2-CE1 3.31Å; V76-Y87 HydrophobicContact CG2-CE2 4.39Å; T80-Y87 HydrophobicContact CG2-CD2 3.67Å; T80-Y87 HydrophobicContact CG2-CE2 3.7Å; W85-Y87 AromaticContact CH2-CE2 3.92Å; W85-Y87 HydrophobicContact CH2-CE2 3.92Å; W85-Y87 HydrophobicContact CZ3-CD2 4.15Å; W85-Y87 AromaticContact CZ3-CE2 3.82Å; W85-Y87 HydrophobicContact CZ3-CE2 3.82Å
88S92.4Very high89.7Confident25 Ų2570.4 Ų70.418%0.17538%0.38CS..  trans-70132.1170.5169.60000109.9N90 S91S88-N90 PolarHBondContact O-N 3.2Å; S88-N90 VanDerWaalsContact O-N 3.15Å; S88-N90 PolarHBondContact OG-N 3.17Å; S88-S91 VanDerWaalsContact CB-OG 3.23Å; S88-S91 WeakPolarHBondContact CB-OG 3.41Å; S88-S91 PolarHBondContact O-N 3.24Å; S88-S91 PolarHBondContact OG-OG 2.62Å
89P89.9Confident89.6Confident97 Ų9761.7 Ų61.763%0.6334%0.343SS*.THydrogen-bonded Turntrans-67.4-11.9176.729.5-35.7000113.1F92P89-F92 WeakPolarHBondContact O-CE1 3.15Å
90N91.9Very high89.6Confident127 Ų12760.6 Ų60.668%0.67935%0.346SS*.THydrogen-bonded Turntrans-110.219.8-177.6-59.7-24.2000112.2S88 L121S88-N90 PolarHBondContact O-N 3.2Å; S88-N90 VanDerWaalsContact O-N 3.15Å; S88-N90 PolarHBondContact OG-N 3.17Å; N90-L121 WeakPolarHBondContact O-CD2 3.5Å
91S94.1Very high89.9Confident5 Ų563 Ų634%0.03536%0.359CS..SBendtrans-132.435.9-172.9-47.50000111.7C63 V64 Q65 S88 Q125C63-S91 VanDerWaalsContact O-CB 3.23Å; C63-S91 WeakPolarHBondContact O-CB 3.45Å; V64-S91 WeakPolarHBondContact CA-O 3.33Å; Q65-S91 PolarHBondContact N-O 2.84Å; S88-S91 VanDerWaalsContact CB-OG 3.23Å; S88-S91 WeakPolarHBondContact CB-OG 3.41Å; S88-S91 PolarHBondContact O-N 3.24Å; S88-S91 PolarHBondContact OG-OG 2.62Å; S91-Q125 PolarHBondContact OG-NE2 3.46Å
92F96.5Very high90.5Very high82 Ų8261.2 Ų61.236%0.3635%0.345SS..EExtended strand (participates in β ladder)trans-136.7153.2171.374.8-90.7000111.3Q65 I73 P89 T94 L121Q65-F92 HydrophobicContact CB-CB 3.82Å; Q65-F92 CarbonylContact O-C 3.42Å; Q65-F92 WeakPolarHBondContact O-CA 3.28Å; I73-F92 HydrophobicContact CD1-CB 4.43Å; I73-F92 HydrophobicContact CG2-CB 4.19Å; I73-F92 HydrophobicContact CG2-CD2 4.13Å; I73-F92 HydrophobicContact CG2-CG 4.13Å; P89-F92 WeakPolarHBondContact O-CE1 3.15Å; F92-T94 HydrophobicContact CD2-CG2 4.01Å; F92-T94 HydrophobicContact CE2-CG2 4.3Å; F92-L121 WeakPolarHBondContact O-CD1 3.48Å
93F96.7Very high91.6Very high28 Ų2856.6 Ų56.612%0.12332%0.315CS..EExtended strand (participates in β ladder)trans-125.1130170.5-179.8-94.6000109.3Q65 V66 D67 M68 F114 Q117 I118 L121Q65-F93 PolarHBondContact O-N 2.96Å; V66-F93 HydrophobicContact CG1-CD1 4.38Å; D67-F93 PolarHBondContact N-O 3.05Å; M68-F93 HydrophobicContact CE-CD1 3.77Å; M68-F93 HydrophobicContact CE-CE1 3.64Å; M68-F93 HydrophobicContact SD-CE1 4.18Å; F93-F114 HydrophobicContact CE1-CB 3.72Å; F93-F114 HydrophobicContact CE1-CD1 4.25Å; F93-F114 AromaticContact CE1-CD2 3.9Å; F93-F114 HydrophobicContact CE1-CD2 3.9Å; F93-F114 AromaticContact CE1-CG 3.69Å; F93-F114 HydrophobicContact CE1-CG 3.69Å; F93-F114 HydrophobicContact CE2-CB 4.3Å; F93-F114 HydrophobicContact CE2-CD1 4.25Å; F93-F114 HydrophobicContact CE2-CG 4.36Å; F93-F114 HydrophobicContact CZ-CB 3.54Å; F93-F114 AromaticContact CZ-CD1 3.45Å; F93-F114 HydrophobicContact CZ-CD1 3.45Å; F93-F114 VanDerWaalsContact CZ-CD1 3.45Å; F93-F114 AromaticContact CZ-CD2 3.92Å; F93-F114 HydrophobicContact CZ-CD2 3.92Å; F93-F114 HydrophobicContact CZ-CE1 4.12Å; F93-F114 AromaticContact CZ-CG 3.33Å; F93-F114 HydrophobicContact CZ-CG 3.33Å; F93-Q117 HydrophobicContact CD2-CB 4.06Å; F93-Q117 HydrophobicContact CE2-CB 3.91Å; F93-Q117 HydrophobicContact CE2-CG 4.32Å; F93-I118 HydrophobicContact CB-CG1 4.18Å; F93-I118 HydrophobicContact CD1-CD1 4.06Å; F93-I118 HydrophobicContact CD1-CG1 3.97Å; F93-I118 HydrophobicContact CD2-CG1 4.46Å; F93-I118 HydrophobicContact CE1-CD1 4.44Å; F93-I118 HydrophobicContact CG-CG1 3.92Å; F93-L121 HydrophobicContact CB-CD1 3.71Å
94T95.6Very high92.4Very high34 Ų3448 Ų4821%0.20928%0.275CS..EExtended strand (participates in β ladder)trans-133.1138.7173.550.40000111.2D67 E70 I73 F92D67-T94 VanDerWaalsContact O-CA 3.24Å; D67-T94 WeakPolarHBondContact O-CA 3.34Å; E70-T94 HydrophobicContact CB-CG2 4.43Å; E70-T94 HydrophobicContact CG-CG2 4.03Å; I73-T94 HydrophobicContact CB-CG2 4.36Å; I73-T94 HydrophobicContact CD1-CG2 3.53Å; I73-T94 HydrophobicContact CG1-CG2 4.44Å; F92-T94 HydrophobicContact CD2-CG2 4.01Å; F92-T94 HydrophobicContact CE2-CG2 4.3Å
95S91Very high92.9Very high20 Ų2045.4 Ų45.414%0.1426%0.263CS..  trans-104174.9164.8-171.50000110.7D67 M68D67-S95 PolarHBondContact O-N 3.49Å; M68-S95 CarbonylContact C-O 3.41Å; M68-S95 CarbonylContact O-C 3.56Å; M68-S95 VanDerWaalsContact O-C 3.3Å
96K87.4Confident93.1Very high189 Ų18944.9 Ų44.982%0.82226%0.261SS*.SBendtrans-92.5-12.1176.6-66.3-176.9179.6178.20113.3
97C87.2Confident93.2Very high72 Ų7246.1 Ų46.149%0.48626%0.262SS..SBendtrans-124.9108.6-171.7-67.50000110.6M68 H110M68-C97 WeakPolarHBondContact CB-O 3.38Å; M68-C97 CarbonylContact O-C 3.58Å; M68-C97 PolarHBondContact O-N 3.25Å; C97-H110 PolarHBondContact O-CE1 3.5Å; C97-H110 PolarHBondContact O-NE2 2.92Å; C97-H110 VanDerWaalsContact O-NE2 3.13Å
98G87.5Confident93.3Very high23 Ų2347.9 Ų47.924%0.23727%0.271CS..  trans-60.5161.5176.500000113.8G100G98-G100 VanDerWaalsContact C-N 3.26Å; G98-G100 PolarHBondContact O-N 3.47Å
99S88.9Confident93.5Very high2 Ų248.8 Ų48.81%0.01428%0.275CS..  trans-80.62.1179.4-48.60000114.2N101 N102 H110 G144 T145S99-N101 VanDerWaalsContact C-N 3.28Å; S99-N101 PolarHBondContact O-N 2.92Å; S99-N101 VanDerWaalsContact O-N 3.14Å; S99-N102 PolarHBondContact O-N 3.38Å; S99-H110 PolarHBondContact OG-CD2 2.75Å; S99-G144 VanDerWaalsContact CB-C 3.5Å; S99-T145 PolarHBondContact OG-OG1 3.1Å
100G88.3Confident93.8Very high70 Ų7044.3 Ų44.372%0.72225%0.245SC*.THydrogen-bonded Turntrans56.732.8173.900000115.6G98 N102G98-G100 VanDerWaalsContact C-N 3.26Å; G98-G100 PolarHBondContact O-N 3.47Å; G100-N102 PolarHBondContact O-N 2.88Å; G100-N102 VanDerWaalsContact O-N 3.1Å
101N91.6Very high93.9Very high71 Ų7138.3 Ų38.338%0.3821%0.214SC..THydrogen-bonded Turntrans54.919.6-172.1-64.7-32.3000115.7S99 V179 V181 N185S99-N101 VanDerWaalsContact C-N 3.28Å; S99-N101 PolarHBondContact O-N 2.92Å; S99-N101 VanDerWaalsContact O-N 3.14Å; N101-V179 HydrophobicContact CB-CG1 3.82Å; N101-V181 WeakPolarHBondContact O-CG2 3.46Å; N101-N185 PolarHBondContact O-ND2 3.22Å
102N95.7Very high93.9Very high11 Ų1140.9 Ų40.96%0.05923%0.232CC..  trans-105.8114.1-179.2-175.4-46000109.9S99 G100 A104 Y105 G106 Q463S99-N102 PolarHBondContact O-N 3.38Å; G100-N102 PolarHBondContact O-N 2.88Å; G100-N102 VanDerWaalsContact O-N 3.1Å; N102-A104 VanDerWaalsContact C-N 3.35Å; N102-A104 PolarHBondContact O-N 3.39Å; N102-A104 WeakPolarHBondContact OD1-CA 3.39Å; N102-A104 WeakPolarHBondContact OD1-CB 3.32Å; N102-A104 PolarHBondContact OD1-N 3.02Å; N102-Y105 PolarHBondContact O-N 3.13Å; N102-Y105 PolarHBondContact OD1-N 2.9Å; N102-G106 PolarHBondContact O-N 3.05Å; N102-Q463 PolarHBondContact ND2-O 3.13Å
103W97.8Very high93.9Very high0 Ų042.5 Ų42.50%024%0.24CC..Hα-helixtrans-61.2-40.8178.5177.1102.3000112.4Y105 G106 Y107 F108 S147 G148 T151 N185 L188 T189 H192 Y464 L469W103-Y105 PolarHBondContact O-N 3.32Å; W103-G106 CarbonylContact O-C 3.47Å; W103-G106 PolarHBondContact O-N 2.73Å; W103-G106 VanDerWaalsContact O-N 3.16Å; W103-Y107 AromaticContact CH2-CD1 3.62Å; W103-Y107 HydrophobicContact CH2-CD1 3.62Å; W103-Y107 AromaticContact CH2-CD2 3.88Å; W103-Y107 HydrophobicContact CH2-CD2 3.88Å; W103-Y107 HydrophobicContact CH2-CE1 4.14Å; W103-Y107 HydrophobicContact CH2-CE2 4.37Å; W103-Y107 AromaticContact CH2-CG 3.49Å; W103-Y107 HydrophobicContact CH2-CG 3.49Å; W103-Y107 VanDerWaalsContact CH2-CG 3.49Å; W103-Y107 HydrophobicContact CZ2-CD1 4.19Å; W103-Y107 AromaticContact CZ2-CD2 3.57Å; W103-Y107 HydrophobicContact CZ2-CD2 3.57Å; W103-Y107 HydrophobicContact CZ2-CE2 4.14Å; W103-Y107 AromaticContact CZ2-CG 3.6Å; W103-Y107 HydrophobicContact CZ2-CG 3.6Å; W103-Y107 HydrophobicContact CZ3-CD1 4.11Å; W103-Y107 HydrophobicContact CZ3-CG 4.04Å; W103-Y107 VanDerWaalsContact O-CB 3.31Å; W103-Y107 WeakPolarHBondContact O-CB 3.45Å; W103-Y107 PolarHBondContact O-N 3.24Å; W103-F108 AromaticContact CZ3-CE2 3.88Å; W103-F108 HydrophobicContact CZ3-CE2 3.88Å; W103-F108 HydrophobicContact CZ3-CZ 4.32Å; W103-S147 VanDerWaalsContact CD1-C 3.43Å; W103-S147 PolarHBondContact NE1-O 2.82Å; W103-G148 VanDerWaalsContact CD1-CA 3.43Å; W103-G148 VanDerWaalsContact CD1-N 3.35Å; W103-T151 HydrophobicContact CZ2-CG2 4.12Å; W103-T151 PolarHBondContact NE1-OG1 3.44Å; W103-N185 HydrophobicContact CB-CB 4.17Å; W103-N185 WeakPolarHBondContact CB-OD1 3.32Å; W103-N185 PolarHBondContact N-OD1 2.73Å; W103-N185 VanDerWaalsContact N-OD1 3.08Å; W103-L188 HydrophobicContact CB-CD1 4.46Å; W103-L188 HydrophobicContact CD2-CB 3.58Å; W103-L188 HydrophobicContact CD2-CD1 3.91Å; W103-L188 HydrophobicContact CD2-CG 4.35Å; W103-L188 HydrophobicContact CE3-CB 3.82Å; W103-L188 HydrophobicContact CE3-CD1 3.49Å; W103-L188 VanDerWaalsContact CE3-CD1 3.49Å; W103-L188 HydrophobicContact CE3-CG 4.16Å; W103-L188 HydrophobicContact CG-CB 4.05Å; W103-L188 HydrophobicContact CG-CD1 4.32Å; W103-L188 HydrophobicContact CH2-CB 4.21Å; W103-L188 HydrophobicContact CZ2-CB 3.97Å; W103-L188 HydrophobicContact CZ3-CB 4.13Å; W103-L188 HydrophobicContact CZ3-CD1 4.06Å; W103-L188 HydrophobicContact CZ3-CD2 4.43Å; W103-L188 HydrophobicContact CZ3-CG 4.44Å; W103-T189 VanDerWaalsContact CD1-OG1 3.25Å; W103-T189 PolarHBondContact NE1-OG1 3.31Å; W103-H192 AromaticContact CH2-CD2 3.64Å; W103-H192 AromaticContact CH2-NE2 3.5Å; W103-H192 WeakPolarHBondContact CH2-NE2 3.25Å; W103-H192 AromaticContact CZ2-CD2 3.48Å; W103-H192 VanDerWaalsContact CZ2-CD2 3.48Å; W103-H192 WeakPolarHBondContact CZ2-CD2 3.28Å; W103-H192 AromaticContact CZ2-NE2 3.86Å; W103-Y464 HydrophobicContact CB-CE1 3.98Å; W103-L469 HydrophobicContact CZ3-CD1 4.45Å
104A97.7Very high93.8Very high0 Ų042.2 Ų42.20%024%0.239CC..Hα-helixtrans-65.7-39.5-178.500000111.7N102 Y107 F108 Y464 L469N102-A104 VanDerWaalsContact C-N 3.35Å; N102-A104 PolarHBondContact O-N 3.39Å; N102-A104 WeakPolarHBondContact OD1-CA 3.39Å; N102-A104 WeakPolarHBondContact OD1-CB 3.32Å; N102-A104 PolarHBondContact OD1-N 3.02Å; A104-Y107 PolarHBondContact O-N 3.39Å; A104-F108 HydrophobicContact CB-CD2 3.9Å; A104-F108 HydrophobicContact CB-CE2 4.16Å; A104-F108 WeakPolarHBondContact O-CB 3.21Å; A104-F108 WeakPolarHBondContact O-CD2 3.36Å; A104-F108 PolarHBondContact O-N 2.83Å; A104-Y464 HydrophobicContact CB-CD1 3.71Å; A104-Y464 HydrophobicContact CB-CG 4.13Å; A104-L469 HydrophobicContact CB-CB 4.29Å
105Y97.2Very high93.8Very high54 Ų5443.1 Ų43.121%0.21224%0.241CC..Iπ-helixtrans-65.1-40.9173.3-170-135.4000111.8N102 W103 V109 H110 Y467N102-Y105 PolarHBondContact O-N 3.13Å; N102-Y105 PolarHBondContact OD1-N 2.9Å; W103-Y105 PolarHBondContact O-N 3.32Å; Y105-V109 HydrophobicContact CD2-CB 3.71Å; Y105-V109 HydrophobicContact CD2-CG1 4.24Å; Y105-V109 HydrophobicContact CD2-CG2 3.65Å; Y105-V109 HydrophobicContact CE2-CB 3.76Å; Y105-V109 HydrophobicContact CE2-CG1 3.76Å; Y105-V109 HydrophobicContact CE2-CG2 3.94Å; Y105-V109 WeakPolarHBondContact O-CB 3.36Å; Y105-V109 PolarHBondContact O-N 2.98Å; Y105-H110 AromaticContact CD1-CD2 3.95Å; Y105-H110 AromaticContact CD1-NE2 3.74Å; Y105-H110 AromaticContact CE1-CD2 3.77Å; Y105-H110 AromaticContact CE1-CE1 3.83Å; Y105-H110 AromaticContact CE1-NE2 3.09Å; Y105-H110 WeakPolarHBondContact CE1-NE2 3.09Å; Y105-H110 AromaticContact CZ-CE1 3.63Å; Y105-H110 AromaticContact CZ-NE2 3.39Å; Y105-H110 PolarHBondContact O-N 3.39Å; Y105-H110 VanDerWaalsContact O-N 3.12Å; Y105-H110 PolarHBondContact OH-CE1 3.19Å; Y105-Y467 AromaticContact CD2-CD1 3.62Å; Y105-Y467 HydrophobicContact CD2-CD1 3.62Å; Y105-Y467 HydrophobicContact CD2-CD2 4.29Å; Y105-Y467 AromaticContact CD2-CE1 3.32Å; Y105-Y467 HydrophobicContact CD2-CE1 3.32Å; Y105-Y467 HydrophobicContact CD2-CE2 4.05Å; Y105-Y467 HydrophobicContact CD2-CG 4.1Å; Y105-Y467 AromaticContact CD2-CZ 3.55Å; Y105-Y467 HydrophobicContact CE2-CD1 4.34Å; Y105-Y467 AromaticContact CE2-CE1 3.8Å; Y105-Y467 HydrophobicContact CE2-CE1 3.8Å; Y105-Y467 HydrophobicContact CG-CD1 4.44Å; Y105-Y467 HydrophobicContact CG-CD2 4.35Å; Y105-Y467 HydrophobicContact CG-CE1 4.11Å; Y105-Y467 AromaticContact CG-CE2 4Å; Y105-Y467 HydrophobicContact CG-CE2 4Å; Y105-Y467 AromaticContact CG-CZ 3.86Å
106G97.2Very high93.9Very high0 Ų047.9 Ų47.90%027%0.265CS..Iπ-helixtrans-62.5-43173.800000113.3N102 W103 G111 V149N102-G106 PolarHBondContact O-N 3.05Å; W103-G106 CarbonylContact O-C 3.47Å; W103-G106 PolarHBondContact O-N 2.73Å; W103-G106 VanDerWaalsContact O-N 3.16Å; G106-G111 WeakPolarHBondContact O-CA 3.37Å; G106-G111 PolarHBondContact O-N 3.15Å; G106-V149 VanDerWaalsContact O-CG2 3.24Å; G106-V149 WeakPolarHBondContact O-CG2 3.35Å
107Y97.7Very high94.3Very high36 Ų3643 Ų4314%0.14125%0.245CC..Iπ-helixtrans-81.7-54.3-173.6-175.8-94.1000112.7W103 A104 T151 K152W103-Y107 AromaticContact CH2-CD1 3.62Å; W103-Y107 HydrophobicContact CH2-CD1 3.62Å; W103-Y107 AromaticContact CH2-CD2 3.88Å; W103-Y107 HydrophobicContact CH2-CD2 3.88Å; W103-Y107 HydrophobicContact CH2-CE1 4.14Å; W103-Y107 HydrophobicContact CH2-CE2 4.37Å; W103-Y107 AromaticContact CH2-CG 3.49Å; W103-Y107 HydrophobicContact CH2-CG 3.49Å; W103-Y107 VanDerWaalsContact CH2-CG 3.49Å; W103-Y107 HydrophobicContact CZ2-CD1 4.19Å; W103-Y107 AromaticContact CZ2-CD2 3.57Å; W103-Y107 HydrophobicContact CZ2-CD2 3.57Å; W103-Y107 HydrophobicContact CZ2-CE2 4.14Å; W103-Y107 AromaticContact CZ2-CG 3.6Å; W103-Y107 HydrophobicContact CZ2-CG 3.6Å; W103-Y107 HydrophobicContact CZ3-CD1 4.11Å; W103-Y107 HydrophobicContact CZ3-CG 4.04Å; W103-Y107 VanDerWaalsContact O-CB 3.31Å; W103-Y107 WeakPolarHBondContact O-CB 3.45Å; W103-Y107 PolarHBondContact O-N 3.24Å; A104-Y107 PolarHBondContact O-N 3.39Å; Y107-T151 HydrophobicContact CD2-CG2 4.05Å; Y107-T151 HydrophobicContact CE2-CG2 3.85Å; Y107-K152 HydrophobicContact CD2-CB 3.73Å; Y107-K152 HydrophobicContact CE2-CB 3.91Å; Y107-K152 HydrophobicContact CE2-CD 4.1Å
108F97.2Very high94.7Very high60 Ų6039.7 Ų39.726%0.26322%0.223SC..Iπ-helixtrans-82.8-23.7-172.6-65-67.4000114.1W103 A104 Y467 L469 I473W103-F108 AromaticContact CZ3-CE2 3.88Å; W103-F108 HydrophobicContact CZ3-CE2 3.88Å; W103-F108 HydrophobicContact CZ3-CZ 4.32Å; A104-F108 HydrophobicContact CB-CD2 3.9Å; A104-F108 HydrophobicContact CB-CE2 4.16Å; A104-F108 WeakPolarHBondContact O-CB 3.21Å; A104-F108 WeakPolarHBondContact O-CD2 3.36Å; A104-F108 PolarHBondContact O-N 2.83Å; F108-Y467 VanDerWaalsContact CB-O 3.22Å; F108-Y467 WeakPolarHBondContact CB-O 3.29Å; F108-Y467 WeakPolarHBondContact CD2-O 3.34Å; F108-Y467 WeakPolarHBondContact CG-O 3.34Å; F108-L469 HydrophobicContact CE2-CB 4.24Å; F108-I473 HydrophobicContact CZ-CD1 4.13Å
109V96.4Very high95.1Very high43 Ų4341.4 Ų41.426%0.26123%0.225SC..Iπ-helixtrans-107.3-74.3-179-172.20000110.1Y105 G111 S112 E113 Y467Y105-V109 HydrophobicContact CD2-CB 3.71Å; Y105-V109 HydrophobicContact CD2-CG1 4.24Å; Y105-V109 HydrophobicContact CD2-CG2 3.65Å; Y105-V109 HydrophobicContact CE2-CB 3.76Å; Y105-V109 HydrophobicContact CE2-CG1 3.76Å; Y105-V109 HydrophobicContact CE2-CG2 3.94Å; Y105-V109 WeakPolarHBondContact O-CB 3.36Å; Y105-V109 PolarHBondContact O-N 2.98Å; V109-G111 PolarHBondContact O-N 3.24Å; V109-S112 PolarHBondContact O-N 2.6Å; V109-E113 VanDerWaalsContact O-CB 3.27Å; V109-E113 WeakPolarHBondContact O-CB 3.39Å; V109-E113 PolarHBondContact O-N 2.68Å; V109-Y467 HydrophobicContact CG2-CD1 3.86Å; V109-Y467 HydrophobicContact CG2-CG 4.47Å
110H96.1Very high95.4Very high3 Ų344.4 Ų44.41%0.01425%0.245CC..Iπ-helixtrans-62.9-43.4-172.5-71.3-41.2000113.1M68 C97 S99 Y105 S112 E113 F114 V149M68-H110 HydrophobicContact CG-CB 4.42Å; M68-H110 HydrophobicContact SD-CB 4.01Å; C97-H110 PolarHBondContact O-CE1 3.5Å; C97-H110 PolarHBondContact O-NE2 2.92Å; C97-H110 VanDerWaalsContact O-NE2 3.13Å; S99-H110 PolarHBondContact OG-CD2 2.75Å; Y105-H110 AromaticContact CD1-CD2 3.95Å; Y105-H110 AromaticContact CD1-NE2 3.74Å; Y105-H110 AromaticContact CE1-CD2 3.77Å; Y105-H110 AromaticContact CE1-CE1 3.83Å; Y105-H110 AromaticContact CE1-NE2 3.09Å; Y105-H110 WeakPolarHBondContact CE1-NE2 3.09Å; Y105-H110 AromaticContact CZ-CE1 3.63Å; Y105-H110 AromaticContact CZ-NE2 3.39Å; Y105-H110 PolarHBondContact O-N 3.39Å; Y105-H110 VanDerWaalsContact O-N 3.12Å; Y105-H110 PolarHBondContact OH-CE1 3.19Å; H110-S112 VanDerWaalsContact C-N 3.29Å; H110-S112 PolarHBondContact O-N 3.15Å; H110-E113 PolarHBondContact O-N 3.27Å; H110-F114 HydrophobicContact CB-CD2 4.26Å; H110-F114 HydrophobicContact CB-CE2 4.43Å; H110-F114 AromaticContact ND1-CE2 3.56Å; H110-F114 WeakPolarHBondContact O-CB 3.24Å; H110-F114 VanDerWaalsContact O-CD2 3.27Å; H110-F114 WeakPolarHBondContact O-CD2 3.46Å; H110-F114 PolarHBondContact O-N 2.83Å; H110-V149 HydrophobicContact CB-CG2 3.84Å
111G94.3Very high95.8Very high2 Ų242.3 Ų42.32%0.02122%0.217CC..Hα-helixtrans-64.2-33.8179.900000113G106 V109 E115G106-G111 WeakPolarHBondContact O-CA 3.37Å; G106-G111 PolarHBondContact O-N 3.15Å; V109-G111 PolarHBondContact O-N 3.24Å; G111-E115 WeakPolarHBondContact O-CB 3.34Å; G111-E115 PolarHBondContact O-N 3.07Å
112S94.6Very high96Very high58 Ų5839.1 Ų39.141%0.40620%0.2SC..Hα-helixtrans-82.2-37.3175.5-78.10000113.3V109 H110 K152V109-S112 PolarHBondContact O-N 2.6Å; H110-S112 VanDerWaalsContact C-N 3.29Å; H110-S112 PolarHBondContact O-N 3.15Å; S112-K152 WeakPolarHBondContact OG-CE 3.38Å
113E95.5Very high95.9Very high116 Ų11642.5 Ų42.554%0.54222%0.215SC..Hα-helixtrans-69.5-35.8-179.2-174.9179.8165.700112.3V109 H110V109-E113 VanDerWaalsContact O-CB 3.27Å; V109-E113 WeakPolarHBondContact O-CB 3.39Å; V109-E113 PolarHBondContact O-N 2.68Å; H110-E113 PolarHBondContact O-N 3.27Å
114F95.3Very high95.8Very high23 Ų2345.7 Ų45.710%0.10123%0.232CC..THydrogen-bonded Turntrans-108.414.3-174.8-54.3-54.5000114.1M68 F93 H110 Q117 I118M68-F114 HydrophobicContact SD-CD2 3.88Å; M68-F114 HydrophobicContact SD-CE2 4.13Å; F93-F114 HydrophobicContact CE1-CB 3.72Å; F93-F114 HydrophobicContact CE1-CD1 4.25Å; F93-F114 AromaticContact CE1-CD2 3.9Å; F93-F114 HydrophobicContact CE1-CD2 3.9Å; F93-F114 AromaticContact CE1-CG 3.69Å; F93-F114 HydrophobicContact CE1-CG 3.69Å; F93-F114 HydrophobicContact CE2-CB 4.3Å; F93-F114 HydrophobicContact CE2-CD1 4.25Å; F93-F114 HydrophobicContact CE2-CG 4.36Å; F93-F114 HydrophobicContact CZ-CB 3.54Å; F93-F114 AromaticContact CZ-CD1 3.45Å; F93-F114 HydrophobicContact CZ-CD1 3.45Å; F93-F114 VanDerWaalsContact CZ-CD1 3.45Å; F93-F114 AromaticContact CZ-CD2 3.92Å; F93-F114 HydrophobicContact CZ-CD2 3.92Å; F93-F114 HydrophobicContact CZ-CE1 4.12Å; F93-F114 AromaticContact CZ-CG 3.33Å; F93-F114 HydrophobicContact CZ-CG 3.33Å; H110-F114 HydrophobicContact CB-CD2 4.26Å; H110-F114 HydrophobicContact CB-CE2 4.43Å; H110-F114 AromaticContact ND1-CE2 3.56Å; H110-F114 WeakPolarHBondContact O-CB 3.24Å; H110-F114 VanDerWaalsContact O-CD2 3.27Å; H110-F114 WeakPolarHBondContact O-CD2 3.46Å; H110-F114 PolarHBondContact O-N 2.83Å; F114-Q117 VanDerWaalsContact C-OE1 3.26Å; F114-Q117 VanDerWaalsContact CA-OE1 3.25Å; F114-Q117 PolarHBondContact O-N 3.33Å; F114-Q117 PolarHBondContact O-OE1 3.11Å; F114-I118 HydrophobicContact CB-CD1 4.15Å; F114-I118 WeakPolarHBondContact O-CD1 3.38Å; F114-I118 VanDerWaalsContact O-CG1 3.3Å; F114-I118 WeakPolarHBondContact O-CG1 3.31Å; F114-I118 PolarHBondContact O-N 3.49Å; F114-I118 VanDerWaalsContact O-N 3.14Å
115E94.2Very high95.6Very high53 Ų5346 Ų4625%0.24823%0.234CC..Hα-helixtrans-55.6-56.5-175.9-166.7175142.100111.6G111 Q117 I118 Q119 K152 Q156G111-E115 WeakPolarHBondContact O-CB 3.34Å; G111-E115 PolarHBondContact O-N 3.07Å; E115-Q117 VanDerWaalsContact C-N 3.34Å; E115-Q117 PolarHBondContact O-N 3.2Å; E115-I118 PolarHBondContact O-N 3.12Å; E115-Q119 WeakPolarHBondContact O-CB 3.22Å; E115-Q119 PolarHBondContact O-N 3.41Å; E115-K152 WeakPolarHBondContact OE2-CE 3.34Å; E115-K152 IonicContact OE2-NZ 2.87Å; E115-K152 PolarHBondContact OE2-NZ 3.43Å; E115-Q156 VanDerWaalsContact CD-CD 3.46Å; E115-Q156 PolarHBondContact OE1-NE2 2.7Å; E115-Q156 PolarHBondContact OE1-OE1 2.88Å; E115-Q156 PolarHBondContact OE2-NE2 3.09Å; E115-Q156 VanDerWaalsContact OE2-NE2 3.08Å; E115-Q156 PolarHBondContact OE2-OE1 3.09Å
116D95.1Very high95.4Very high120 Ų12044.7 Ų44.764%0.64223%0.23SC*.Hα-helixtrans-61.4-40.4-176.1-68.7-27.3000112.3C120D116-C120 WeakPolarHBondContact O-CB 3.38Å; D116-C120 PolarHBondContact O-N 3.03Å
117Q95.6Very high95.2Very high86 Ų8650.9 Ų50.940%0.40226%0.259SS..Hα-helixtrans-65.8-44180-63.391-31.500111F93 F114 E115 C120 L121F93-Q117 HydrophobicContact CD2-CB 4.06Å; F93-Q117 HydrophobicContact CE2-CB 3.91Å; F93-Q117 HydrophobicContact CE2-CG 4.32Å; F114-Q117 VanDerWaalsContact C-OE1 3.26Å; F114-Q117 VanDerWaalsContact CA-OE1 3.25Å; F114-Q117 PolarHBondContact O-N 3.33Å; F114-Q117 PolarHBondContact O-OE1 3.11Å; E115-Q117 VanDerWaalsContact C-N 3.34Å; E115-Q117 PolarHBondContact O-N 3.2Å; Q117-C120 PolarHBondContact O-N 3.05Å; Q117-L121 WeakPolarHBondContact O-CG 3.37Å; Q117-L121 PolarHBondContact O-N 3.33Å
118I95.8Very high94.9Very high3 Ų353.9 Ų53.92%0.01528%0.277CS..Hα-helixtrans-69.8-41.8179.7-64.9167000110.1V66 F93 F114 E115 C120 L121 I122 V149 I153V66-I118 HydrophobicContact CG1-CD1 3.79Å; V66-I118 HydrophobicContact CG1-CG1 4.39Å; V66-I118 HydrophobicContact CG2-CG1 4.44Å; V66-I118 HydrophobicContact CG2-CG2 3.98Å; F93-I118 HydrophobicContact CB-CG1 4.18Å; F93-I118 HydrophobicContact CD1-CD1 4.06Å; F93-I118 HydrophobicContact CD1-CG1 3.97Å; F93-I118 HydrophobicContact CD2-CG1 4.46Å; F93-I118 HydrophobicContact CE1-CD1 4.44Å; F93-I118 HydrophobicContact CG-CG1 3.92Å; F114-I118 HydrophobicContact CB-CD1 4.15Å; F114-I118 WeakPolarHBondContact O-CD1 3.38Å; F114-I118 VanDerWaalsContact O-CG1 3.3Å; F114-I118 WeakPolarHBondContact O-CG1 3.31Å; F114-I118 PolarHBondContact O-N 3.49Å; F114-I118 VanDerWaalsContact O-N 3.14Å; E115-I118 PolarHBondContact O-N 3.12Å; I118-C120 VanDerWaalsContact C-N 3.32Å; I118-C120 PolarHBondContact O-N 3.22Å; I118-L121 PolarHBondContact O-N 3.39Å; I118-I122 HydrophobicContact CG2-CD1 3.92Å; I118-I122 WeakPolarHBondContact O-CG1 3.42Å; I118-I122 PolarHBondContact O-N 3Å; I118-V149 HydrophobicContact CD1-CG1 4.32Å; I118-I153 HydrophobicContact CD1-CD1 4.12Å; I118-I153 HydrophobicContact CG2-CD1 3.81Å; I118-I153 HydrophobicContact CG2-CG1 4.12Å
119Q94.9Very high94.7Very high59 Ų5951.8 Ų51.828%0.27627%0.27SS..Hα-helixtrans-57.8-44.3174.2170.3168.48.900111.7E115 L121 I122 Q123 I160E115-Q119 WeakPolarHBondContact O-CB 3.22Å; E115-Q119 PolarHBondContact O-N 3.41Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-L121 PolarHBondContact O-N 3.35Å; Q119-I122 PolarHBondContact O-N 2.95Å; Q119-Q123 WeakPolarHBondContact O-CB 3.13Å; Q119-Q123 PolarHBondContact O-N 3.45Å; Q119-I160 HydrophobicContact CB-CD1 3.93Å; Q119-I160 HydrophobicContact CG-CD1 3.57Å; Q119-I160 HydrophobicContact CG-CG1 3.86Å; Q119-I160 HydrophobicContact CG-CG2 4.46Å
120C95.4Very high94.3Very high64 Ų6457.5 Ų57.543%0.43230%0.299SS..Hα-helixtrans-59.2-42.7177-176.80000111.8D116 Q117 I118 Q123 N124D116-C120 WeakPolarHBondContact O-CB 3.38Å; D116-C120 PolarHBondContact O-N 3.03Å; Q117-C120 PolarHBondContact O-N 3.05Å; I118-C120 VanDerWaalsContact C-N 3.32Å; I118-C120 PolarHBondContact O-N 3.22Å; C120-Q123 PolarHBondContact O-N 3.44Å; C120-N124 WeakPolarHBondContact O-CB 3.26Å; C120-N124 PolarHBondContact O-N 3.13Å; C120-N124 PolarHBondContact O-ND2 2.9Å; C120-N124 VanDerWaalsContact O-ND2 3.11Å
121L96.5Very high94Very high26 Ų2659.5 Ų59.514%0.13631%0.313CS..Hα-helixtrans-64.1-41.8176.5-67.4174.1000112.6V64 N90 F92 F93 Q117 I118 Q119 N124 Q125V64-L121 HydrophobicContact CG1-CB 3.87Å; V64-L121 HydrophobicContact CG1-CD1 4.2Å; V64-L121 HydrophobicContact CG2-CB 4.27Å; N90-L121 WeakPolarHBondContact O-CD2 3.5Å; F92-L121 WeakPolarHBondContact O-CD1 3.48Å; F93-L121 HydrophobicContact CB-CD1 3.71Å; Q117-L121 WeakPolarHBondContact O-CG 3.37Å; Q117-L121 PolarHBondContact O-N 3.33Å; I118-L121 PolarHBondContact O-N 3.39Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-L121 PolarHBondContact O-N 3.35Å; L121-N124 PolarHBondContact O-N 3.45Å; L121-Q125 PolarHBondContact O-N 2.85Å; L121-Q125 VanDerWaalsContact O-N 3.11Å
122I95.5Very high94Very high4 Ų461.4 Ų61.42%0.02132%0.323CS..Hα-helixtrans-62.6-50.1176.9-68.5168.2000109.6L6 V64 I118 Q119 N124 Q125 L126 I153 L157 I161L6-I122 HydrophobicContact CD1-CD1 4.23Å; L6-I122 HydrophobicContact CD1-CG1 4.35Å; L6-I122 HydrophobicContact CD2-CD1 4.21Å; V64-I122 HydrophobicContact CB-CG1 4.49Å; V64-I122 HydrophobicContact CG2-CG1 4.12Å; I118-I122 HydrophobicContact CG2-CD1 3.92Å; I118-I122 WeakPolarHBondContact O-CG1 3.42Å; I118-I122 PolarHBondContact O-N 3Å; Q119-I122 PolarHBondContact O-N 2.95Å; I122-N124 VanDerWaalsContact C-N 3.34Å; I122-N124 PolarHBondContact O-N 3.16Å; I122-Q125 PolarHBondContact O-N 3.07Å; I122-Q125 VanDerWaalsContact O-N 3.1Å; I122-L126 HydrophobicContact CG2-CD1 3.57Å; I122-L126 HydrophobicContact CG2-CG 4.47Å; I122-L126 WeakPolarHBondContact O-CD1 3.49Å; I122-L126 WeakPolarHBondContact O-CG 3.42Å; I122-L126 PolarHBondContact O-N 2.76Å; I122-L126 VanDerWaalsContact O-N 3.11Å; I122-I153 HydrophobicContact CD1-CG2 3.94Å; I122-L157 HydrophobicContact CD1-CD2 4.08Å; I122-L157 HydrophobicContact CG2-CD2 4.45Å; I122-I161 HydrophobicContact CG2-CD1 4.36Å
123Q94.4Very high93.9Very high82 Ų8258.9 Ų58.938%0.38331%0.305SS..Hα-helixtrans-56.6-46.5177.3-176.2173.1-9.100111.8Q119 C120 Q125 L126 E127Q119-Q123 WeakPolarHBondContact O-CB 3.13Å; Q119-Q123 PolarHBondContact O-N 3.45Å; C120-Q123 PolarHBondContact O-N 3.44Å; Q123-Q125 VanDerWaalsContact C-N 3.3Å; Q123-Q125 PolarHBondContact O-N 3.2Å; Q123-L126 PolarHBondContact O-N 3.47Å; Q123-E127 HydrophobicContact CG-CG 4.28Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.18Å; Q123-E127 PolarHBondContact NE2-OE1 2.87Å; Q123-E127 WeakPolarHBondContact O-CG 3.25Å; Q123-E127 PolarHBondContact O-N 3.31Å
124N94.8Very high93.9Very high67 Ų6753.4 Ų53.436%0.35828%0.279SS..Hα-helixtrans-57.8-40.2176.5-70.7-26.3000112.3C120 L121 I122 L126 N128C120-N124 WeakPolarHBondContact O-CB 3.26Å; C120-N124 PolarHBondContact O-N 3.13Å; C120-N124 PolarHBondContact O-ND2 2.9Å; C120-N124 VanDerWaalsContact O-ND2 3.11Å; L121-N124 PolarHBondContact O-N 3.45Å; I122-N124 VanDerWaalsContact C-N 3.34Å; I122-N124 PolarHBondContact O-N 3.16Å; N124-L126 VanDerWaalsContact C-N 3.33Å; N124-L126 PolarHBondContact O-N 3.4Å; N124-N128 VanDerWaalsContact O-CG 3.28Å; N124-N128 PolarHBondContact O-N 3.37Å; N124-N128 PolarHBondContact O-ND2 2.54Å
125Q94.6Very high94Very high7 Ų752.5 Ų52.53%0.03328%0.275CS..Hα-helixtrans-66.1-36.5176.4-74.2-60.9-67.600112.5V4 Y52 V64 S91 L121 I122 Q123 N128 C129V4-Q125 HydrophobicContact CG1-CB 3.92Å; V4-Q125 HydrophobicContact CG1-CG 4.43Å; V4-Q125 HydrophobicContact CG2-CB 4.44Å; Y52-Q125 PolarHBondContact OH-O 3.03Å; Y52-Q125 PolarHBondContact OH-OE1 3.13Å; V64-Q125 HydrophobicContact CG2-CB 4.33Å; V64-Q125 HydrophobicContact CG2-CG 3.53Å; S91-Q125 PolarHBondContact OG-NE2 3.46Å; L121-Q125 PolarHBondContact O-N 2.85Å; L121-Q125 VanDerWaalsContact O-N 3.11Å; I122-Q125 PolarHBondContact O-N 3.07Å; I122-Q125 VanDerWaalsContact O-N 3.1Å; Q123-Q125 VanDerWaalsContact C-N 3.3Å; Q123-Q125 PolarHBondContact O-N 3.2Å; Q125-N128 PolarHBondContact O-N 3.24Å; Q125-C129 PolarHBondContact O-SG 3.35Å
126L92.7Very high94.2Very high26 Ų2650 Ų5014%0.13626%0.264CS..Hα-helixtrans-76.4-39.3-176.1-62.8155.9000112V4 I122 Q123 N124 N128 C129 L132 I135 I161V4-L126 HydrophobicContact CG2-CD2 4.11Å; I122-L126 HydrophobicContact CG2-CD1 3.57Å; I122-L126 HydrophobicContact CG2-CG 4.47Å; I122-L126 WeakPolarHBondContact O-CD1 3.49Å; I122-L126 WeakPolarHBondContact O-CG 3.42Å; I122-L126 PolarHBondContact O-N 2.76Å; I122-L126 VanDerWaalsContact O-N 3.11Å; Q123-L126 PolarHBondContact O-N 3.47Å; N124-L126 VanDerWaalsContact C-N 3.33Å; N124-L126 PolarHBondContact O-N 3.4Å; L126-N128 PolarHBondContact O-N 3.17Å; L126-C129 WeakPolarHBondContact O-CB 3.36Å; L126-C129 PolarHBondContact O-N 2.94Å; L126-L132 HydrophobicContact CD2-CD1 3.81Å; L126-L132 HydrophobicContact CD2-CD2 3.64Å; L126-L132 HydrophobicContact CD2-CG 4.36Å; L126-I135 HydrophobicContact CD2-CD1 4.45Å; L126-I161 HydrophobicContact CD1-CD1 3.04Å; L126-I161 HydrophobicContact CD1-CG1 3.57Å; L126-I161 HydrophobicContact CD2-CD1 3.93Å; L126-I161 HydrophobicContact CG-CD1 4.1Å
127E92.8Very high94.3Very high130 Ų13044.3 Ų44.361%0.60723%0.233SC*.Hα-helixtrans-62.7-30.2173.5-71.3176.8-179.300111.8Q123 C129Q123-E127 HydrophobicContact CG-CG 4.28Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.18Å; Q123-E127 PolarHBondContact NE2-OE1 2.87Å; Q123-E127 WeakPolarHBondContact O-CG 3.25Å; Q123-E127 PolarHBondContact O-N 3.31Å; E127-C129 PolarHBondContact O-N 3.48Å
128N92.2Very high94.4Very high99 Ų9940.3 Ų40.353%0.52922%0.215SC..THydrogen-bonded Turntrans-76.2-6.7173.8-73.7-43.8000113.7Y52 N124 Q125 L126Y52-N128 HydrophobicContact CE1-CB 3.85Å; Y52-N128 WeakPolarHBondContact CE1-O 3.36Å; N124-N128 VanDerWaalsContact O-CG 3.28Å; N124-N128 PolarHBondContact O-N 3.37Å; N124-N128 PolarHBondContact O-ND2 2.54Å; Q125-N128 PolarHBondContact O-N 3.24Å; L126-N128 PolarHBondContact O-N 3.17Å
129C91.1Very high94.5Very high16 Ų1640.1 Ų40.111%0.10821%0.214CC..  trans-94.8118.5179.2-67.30000111.4R62 Q125 L126 E127 S131R62-C129 PolarHBondContact NH1-SG 3.5Å; Q125-C129 PolarHBondContact O-SG 3.35Å; L126-C129 WeakPolarHBondContact O-CB 3.36Å; L126-C129 PolarHBondContact O-N 2.94Å; E127-C129 PolarHBondContact O-N 3.48Å; C129-S131 PolarHBondContact O-N 3.18Å
130D88.5Confident94.6Very high164 Ų16437.9 Ų37.988%0.87721%0.205SC*.SBendtrans-58.1-37.5174.7-58.9-40.3000112.7
131S90.5Very high94.7Very high44 Ų4434.8 Ų34.831%0.30818%0.184SC..SBendtrans-155.4129173.7-172.30000110.5M1 S2 C129M1-S131 WeakPolarHBondContact CE-OG 3.42Å; M1-S131 WeakPolarHBondContact SD-CB 3.48Å; M1-S131 PolarHBondContact SD-OG 3.13Å; S2-S131 WeakPolarHBondContact CB-O 3.39Å; S2-S131 PolarHBondContact N-O 3.01Å; S2-S131 PolarHBondContact OG-O 3.3Å; C129-S131 PolarHBondContact O-N 3.18Å
132L93.2Very high94.6Very high43 Ų4333.7 Ų33.723%0.22518%0.178CC..EExtended strand (participates in β ladder)trans-93.3133.3-177.4-174.269.8000110.8V4 L126 A164V4-L132 HydrophobicContact CG2-CD1 4.01Å; L126-L132 HydrophobicContact CD2-CD1 3.81Å; L126-L132 HydrophobicContact CD2-CD2 3.64Å; L126-L132 HydrophobicContact CD2-CG 4.36Å; L132-A164 HydrophobicContact CD2-CB 3.68Å
133D94.4Very high94.4Very high5 Ų534.4 Ų34.43%0.02719%0.187CC..EExtended strand (participates in β ladder)trans-86.2-51163.5-174.27.3000109.8M1 S2 I3 K263 R264 L265 T266M1-D133 HydrophobicContact CB-CB 3.88Å; S2-D133 WeakPolarHBondContact O-CB 3.39Å; S2-D133 PolarHBondContact O-N 2.74Å; I3-D133 HydrophobicContact CG1-CB 3.88Å; D133-K263 VanDerWaalsContact CG-C 3.48Å; D133-K263 VanDerWaalsContact CG-CA 3.4Å; D133-K263 VanDerWaalsContact OD1-C 3.23Å; D133-K263 VanDerWaalsContact OD1-CA 3.24Å; D133-K263 WeakPolarHBondContact OD1-CA 3.3Å; D133-K263 WeakPolarHBondContact OD1-CB 3.2Å; D133-K263 WeakPolarHBondContact OD2-CA 3.46Å; D133-R264 PolarHBondContact OD2-N 2.82Å; D133-L265 PolarHBondContact OD2-N 3Å; D133-T266 PolarHBondContact O-OG1 3.26Å; D133-T266 VanDerWaalsContact O-OG1 3.04Å; D133-T266 WeakPolarHBondContact OD1-CB 3.48Å; D133-T266 PolarHBondContact OD1-N 3.09Å; D133-T266 PolarHBondContact OD1-OG1 3.37Å
134G95Very high94.3Very high0 Ų030.6 Ų30.60%017%0.169CC..EExtended strand (participates in β ladder)trans173-167.8175.100000113.1I3 V4 C165I3-G134 WeakPolarHBondContact CA-O 3.47Å; V4-G134 PolarHBondContact N-O 3.45Å; V4-G134 VanDerWaalsContact N-O 3.12Å; G134-C165 CarbonylContact C-O 3.3Å; G134-C165 WeakPolarHBondContact CA-O 3.23Å
135I96.6Very high94.3Very high4 Ų427.9 Ų27.92%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-111.1130-179.1-61.3177.8000109.3V4 L6 L126 V137 L157 I161 C165 V166 L167V4-I135 WeakPolarHBondContact O-CA 3.35Å; L6-I135 HydrophobicContact CB-CG2 4.26Å; L126-I135 HydrophobicContact CD2-CD1 4.45Å; I135-V137 HydrophobicContact CG2-CG2 3.76Å; I135-L157 HydrophobicContact CD1-CD2 4.4Å; I135-I161 HydrophobicContact CD1-CD1 3.46Å; I135-I161 VanDerWaalsContact CD1-CD1 3.46Å; I135-C165 PolarHBondContact N-O 2.67Å; I135-V166 HydrophobicContact CB-CG2 4.49Å; I135-L167 PolarHBondContact O-N 3.46Å
136L97.8Very high94.4Very high1 Ų127.8 Ų27.81%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-105.3107.1173.3179.565.9000109.3I3 V4 S5 L6 F19 L167 Q169 L243 L247 L265I3-L136 HydrophobicContact CG2-CB 3.73Å; V4-L136 PolarHBondContact O-N 3.43Å; S5-L136 CarbonylContact C-O 3.6Å; S5-L136 VanDerWaalsContact CA-O 3.25Å; S5-L136 WeakPolarHBondContact CA-O 3.37Å; L6-L136 PolarHBondContact N-O 3.21Å; F19-L136 HydrophobicContact CD1-CD2 4.5Å; F19-L136 HydrophobicContact CE1-CD2 4.03Å; F19-L136 HydrophobicContact CZ-CD2 4.15Å; L136-L167 CarbonylContact C-O 3.46Å; L136-L167 WeakPolarHBondContact CA-O 3.39Å; L136-L167 HydrophobicContact CD1-CB 4.35Å; L136-L167 HydrophobicContact CD1-CD2 4.08Å; L136-L167 HydrophobicContact CD1-CG 4.12Å; L136-Q169 HydrophobicContact CD1-CG 4.21Å; L136-Q169 VanDerWaalsContact CD1-NE2 3.27Å; L136-L243 HydrophobicContact CD1-CD2 4.45Å; L136-L243 HydrophobicContact CD2-CD2 3.94Å; L136-L247 HydrophobicContact CD2-CD1 4.14Å; L136-L265 HydrophobicContact CB-CD1 4.18Å
137V98.2Very high94.6Very high0 Ų026.5 Ų26.50%015%0.15CC..EExtended strand (participates in β ladder)trans-93.3139.7179.1-171.80000109.9L6 I8 I135 M139 L154 V166 L167 Q169L6-V137 HydrophobicContact CB-CG1 4.46Å; L6-V137 HydrophobicContact CB-CG2 4.13Å; L6-V137 HydrophobicContact CD2-CG1 4.32Å; L6-V137 HydrophobicContact CD2-CG2 4.19Å; L6-V137 HydrophobicContact CG-CG1 4.45Å; L6-V137 CarbonylContact O-C 3.58Å; L6-V137 WeakPolarHBondContact O-CA 3.35Å; I8-V137 HydrophobicContact CD1-CG1 3.86Å; I8-V137 HydrophobicContact CG1-CG1 4.41Å; I135-V137 HydrophobicContact CG2-CG2 3.76Å; V137-M139 HydrophobicContact CG1-SD 4.39Å; V137-L154 HydrophobicContact CB-CD2 4.22Å; V137-L154 HydrophobicContact CG1-CD1 4.43Å; V137-L154 HydrophobicContact CG1-CD2 4.19Å; V137-L154 HydrophobicContact CG1-CG 4.45Å; V137-L154 HydrophobicContact CG2-CD2 3.7Å; V137-V166 HydrophobicContact CG2-CG1 4.01Å; V137-L167 PolarHBondContact N-O 3.05Å; V137-Q169 WeakPolarHBondContact O-CB 3.39Å; V137-Q169 PolarHBondContact O-N 2.9Å
138S98.4Very high94.8Very high2 Ų220.3 Ų20.31%0.01412%0.121CC..EExtended strand (participates in β ladder)trans-129.3118.6173.9-58.70000110L6 I8 G12 Q169L6-S138 PolarHBondContact O-N 3.05Å; I8-S138 PolarHBondContact N-O 3.21Å; G12-S138 VanDerWaalsContact CA-O 3.26Å; G12-S138 WeakPolarHBondContact CA-O 3.36Å; S138-Q169 PolarHBondContact OG-NE2 2.99Å
139M98Very high95Very high0 Ų015.6 Ų15.60%010%0.095CC..EExtended strand (participates in β ladder)trans-152153.1-177.758.3-177.2-90.400112.6I8 V137 G146 L154 Q169 L170 I171 T189 L193I8-M139 HydrophobicContact CB-CB 4.28Å; V137-M139 HydrophobicContact CG1-SD 4.39Å; M139-G146 WeakPolarHBondContact CE-O 3.4Å; M139-L154 HydrophobicContact SD-CD1 3.53Å; M139-L154 VanDerWaalsContact SD-CD1 3.53Å; M139-Q169 PolarHBondContact N-O 3.12Å; M139-Q169 VanDerWaalsContact N-O 3.09Å; M139-L170 HydrophobicContact CE-CD2 4.3Å; M139-L170 HydrophobicContact CG-CD2 3.78Å; M139-L170 HydrophobicContact SD-CD2 4.13Å; M139-I171 PolarHBondContact O-N 3.23Å; M139-T189 HydrophobicContact CE-CG2 3.65Å; M139-L193 HydrophobicContact CE-CD1 4.44Å
140S97.1Very high95.3Very high11 Ų1114.9 Ų14.98%0.0779%0.09CC..EExtended strand (participates in β ladder)trans-94.4140.7171.9172.10000111.3A142 G146 S147S140-A142 VanDerWaalsContact C-N 3.3Å; S140-A142 PolarHBondContact OG-N 2.85Å; S140-A142 VanDerWaalsContact OG-N 3.17Å; S140-G146 CarbonylContact O-C 3.39Å; S140-S147 PolarHBondContact O-N 3.24Å
141L97.1Very high95.8Very high0 Ų07 Ų70%05%0.048CC..SBendtrans-76.5-15.5174.9-62.3-178.3000113.3L170 I171 W172 N185 A186 T189 L190L141-L170 HydrophobicContact CD1-CB 4.27Å; L141-L170 HydrophobicContact CD2-CB 4.2Å; L141-L170 HydrophobicContact CD2-CD1 4.32Å; L141-L170 HydrophobicContact CD2-CD2 4.12Å; L141-L170 HydrophobicContact CD2-CG 4.45Å; L141-L170 HydrophobicContact CG-CB 4.2Å; L141-I171 PolarHBondContact N-O 3.27Å; L141-W172 HydrophobicContact CD1-CD2 4.16Å; L141-W172 HydrophobicContact CD1-CE3 3.47Å; L141-W172 VanDerWaalsContact CD1-CE3 3.47Å; L141-W172 HydrophobicContact CD1-CZ3 3.89Å; L141-N185 CarbonylContact O-C 3.55Å; L141-N185 WeakPolarHBondContact O-CB 3.3Å; L141-A186 HydrophobicContact CB-CB 4.04Å; L141-A186 PolarHBondContact O-N 3.17Å; L141-T189 HydrophobicContact CD2-CG2 3.47Å; L141-T189 VanDerWaalsContact CD2-CG2 3.47Å; L141-L190 HydrophobicContact CD1-CD1 4.45Å; L141-L190 HydrophobicContact CD1-CD2 4.35Å; L141-L190 HydrophobicContact CD1-CG 4.47Å
142A94.2Very high96.1Very high2 Ų26.2 Ų6.22%0.0174%0.039CC..SBendtrans-95.4-29-17700000114.6S140 P173 Q182 N185S140-A142 VanDerWaalsContact C-N 3.3Å; S140-A142 PolarHBondContact OG-N 2.85Å; S140-A142 VanDerWaalsContact OG-N 3.17Å; A142-P173 HydrophobicContact CB-CB 3.86Å; A142-P173 HydrophobicContact CB-CG 4.29Å; A142-Q182 HydrophobicContact CB-CB 3.8Å; A142-N185 PolarHBondContact O-ND2 3.28Å
143G91.1Very high96.2Very high19 Ų194.7 Ų4.720%0.1963%0.031CC..SBendtrans-81.7147.6-177.400000112.5S147G143-S147 WeakPolarHBondContact O-CB 3.25Å; G143-S147 PolarHBondContact O-N 3.36Å; G143-S147 PolarHBondContact O-OG 2.85Å
144G91.9Very high96.2Very high2 Ų24.5 Ų4.52%0.0213%0.03CC..Hα-helixtrans-67.1-39-176.300000113.9S99 G148S99-G144 VanDerWaalsContact CB-C 3.5Å; G144-G148 WeakPolarHBondContact O-CA 3.32Å; G144-G148 PolarHBondContact O-N 3.13Å
145T96Very high96.2Very high11 Ų115.9 Ų5.97%0.0674%0.039CC..Iπ-helixtrans-73.9-51.3176.6-51.80000111.2I8 M68 S99 S147 V149 G150I8-T145 HydrophobicContact CG2-CG2 4.38Å; M68-T145 HydrophobicContact CB-CG2 4.46Å; M68-T145 HydrophobicContact CE-CG2 4.4Å; M68-T145 HydrophobicContact CG-CG2 3.81Å; S99-T145 PolarHBondContact OG-OG1 3.1Å; T145-S147 PolarHBondContact O-N 2.81Å; T145-V149 HydrophobicContact CG2-CB 4.24Å; T145-V149 HydrophobicContact CG2-CG2 4.17Å; T145-V149 VanDerWaalsContact O-CB 3.28Å; T145-V149 WeakPolarHBondContact O-CB 3.36Å; T145-V149 PolarHBondContact O-N 3.39Å; T145-V149 VanDerWaalsContact O-N 3.12Å; T145-G150 PolarHBondContact O-N 3.2Å; T145-G150 VanDerWaalsContact O-N 3.13Å
146G95.3Very high96Very high4 Ų47.2 Ų7.24%0.0415%0.045CC..Iπ-helixtrans-55.8-50.1179.300000111.7M139 S140 G150M139-G146 WeakPolarHBondContact CE-O 3.4Å; S140-G146 CarbonylContact O-C 3.39Å; G146-G150 VanDerWaalsContact O-CA 3.29Å; G146-G150 WeakPolarHBondContact O-CA 3.39Å; G146-G150 PolarHBondContact O-N 2.97Å
147S96.8Very high95.6Very high0 Ų07.3 Ų7.30%05%0.045CC..Iπ-helixtrans-76.4-57.8-177.370.50000112.3W103 S140 G143 T145 T151 T189W103-S147 VanDerWaalsContact CD1-C 3.43Å; W103-S147 PolarHBondContact NE1-O 2.82Å; S140-S147 PolarHBondContact O-N 3.24Å; G143-S147 WeakPolarHBondContact O-CB 3.25Å; G143-S147 PolarHBondContact O-N 3.36Å; G143-S147 PolarHBondContact O-OG 2.85Å; T145-S147 PolarHBondContact O-N 2.81Å; S147-T151 VanDerWaalsContact O-CB 3.23Å; S147-T151 WeakPolarHBondContact O-CB 3.16Å; S147-T151 PolarHBondContact O-N 3.41Å; S147-T151 PolarHBondContact O-OG1 3.19Å; S147-T189 VanDerWaalsContact CB-OG1 3.26Å; S147-T189 WeakPolarHBondContact CB-OG1 3.36Å
148G97.4Very high95.2Very high0 Ų09 Ų90%06%0.057CC..Iπ-helixtrans-70.5-61.4-174.300000113.7W103 G144 G150 T151 K152W103-G148 VanDerWaalsContact CD1-CA 3.43Å; W103-G148 VanDerWaalsContact CD1-N 3.35Å; G144-G148 WeakPolarHBondContact O-CA 3.32Å; G144-G148 PolarHBondContact O-N 3.13Å; G148-G150 VanDerWaalsContact C-N 3.27Å; G148-G150 PolarHBondContact O-N 3.35Å; G148-T151 PolarHBondContact O-N 2.91Å; G148-K152 PolarHBondContact O-N 2.84Å; G148-K152 VanDerWaalsContact O-N 3.12Å
149V97.6Very high94.7Very high0 Ų014.9 Ų14.90%09%0.088CC..Iπ-helixtrans-62.6-39.9178.6-178.50000109.9V66 M68 G106 H110 I118 T145 T151 K152 I153V66-V149 HydrophobicContact CG1-CG1 4.41Å; M68-V149 HydrophobicContact CE-CG1 4.28Å; M68-V149 HydrophobicContact CE-CG2 4.42Å; M68-V149 HydrophobicContact CG-CG2 4.36Å; G106-V149 VanDerWaalsContact O-CG2 3.24Å; G106-V149 WeakPolarHBondContact O-CG2 3.35Å; H110-V149 HydrophobicContact CB-CG2 3.84Å; I118-V149 HydrophobicContact CD1-CG1 4.32Å; T145-V149 HydrophobicContact CG2-CB 4.24Å; T145-V149 HydrophobicContact CG2-CG2 4.17Å; T145-V149 VanDerWaalsContact O-CB 3.28Å; T145-V149 WeakPolarHBondContact O-CB 3.36Å; T145-V149 PolarHBondContact O-N 3.39Å; T145-V149 VanDerWaalsContact O-N 3.12Å; V149-T151 PolarHBondContact O-N 3.4Å; V149-K152 PolarHBondContact O-N 3.45Å; V149-I153 HydrophobicContact CG1-CD1 3.73Å; V149-I153 HydrophobicContact CG1-CG1 4.32Å; V149-I153 WeakPolarHBondContact O-CG1 3.37Å; V149-I153 PolarHBondContact O-N 2.83Å
150G97.4Very high94.1Very high0 Ų016.8 Ų16.80%010%0.098CC..Hα-helixtrans-62.1-40.9176.900000113.8T145 G146 G148 L154T145-G150 PolarHBondContact O-N 3.2Å; T145-G150 VanDerWaalsContact O-N 3.13Å; G146-G150 VanDerWaalsContact O-CA 3.29Å; G146-G150 WeakPolarHBondContact O-CA 3.39Å; G146-G150 PolarHBondContact O-N 2.97Å; G148-G150 VanDerWaalsContact C-N 3.27Å; G148-G150 PolarHBondContact O-N 3.35Å; G150-L154 VanDerWaalsContact O-CB 3.3Å; G150-L154 WeakPolarHBondContact O-CB 3.38Å; G150-L154 VanDerWaalsContact O-CG 3.31Å; G150-L154 WeakPolarHBondContact O-CG 3.38Å; G150-L154 PolarHBondContact O-N 3.47Å
151T97.4Very high93.6Very high0 Ų017.9 Ų17.90%010%0.103CC..Hα-helixtrans-61.6-46.6174.4-60.20000110.7W103 Y107 S147 G148 V149 I153 L154 T155 T189 H192 L193W103-T151 HydrophobicContact CZ2-CG2 4.12Å; W103-T151 PolarHBondContact NE1-OG1 3.44Å; Y107-T151 HydrophobicContact CD2-CG2 4.05Å; Y107-T151 HydrophobicContact CE2-CG2 3.85Å; S147-T151 VanDerWaalsContact O-CB 3.23Å; S147-T151 WeakPolarHBondContact O-CB 3.16Å; S147-T151 PolarHBondContact O-N 3.41Å; S147-T151 PolarHBondContact O-OG1 3.19Å; G148-T151 PolarHBondContact O-N 2.91Å; V149-T151 PolarHBondContact O-N 3.4Å; T151-I153 PolarHBondContact O-N 2.96Å; T151-L154 PolarHBondContact O-N 2.88Å; T151-T155 HydrophobicContact CG2-CG2 4.17Å; T151-T155 VanDerWaalsContact O-CG2 3.25Å; T151-T155 WeakPolarHBondContact O-CG2 3.38Å; T151-T155 PolarHBondContact O-N 3.14Å; T151-T155 PolarHBondContact O-OG1 3.12Å; T151-T155 VanDerWaalsContact O-OG1 3.07Å; T151-T189 WeakPolarHBondContact OG1-CG2 3.29Å; T151-T189 PolarHBondContact OG1-OG1 3.41Å; T151-H192 HydrophobicContact CG2-CB 3.39Å; T151-L193 HydrophobicContact CG2-CD2 4.35Å
152K96.4Very high93Very high26 Ų2623 Ų2311%0.11314%0.136CC..Hα-helixtrans-57.6-52.1179.5-177.457.8169.2159.40111.4Y107 S112 E115 G148 V149 L154 T155 Q156Y107-K152 HydrophobicContact CD2-CB 3.73Å; Y107-K152 HydrophobicContact CE2-CB 3.91Å; Y107-K152 HydrophobicContact CE2-CD 4.1Å; S112-K152 WeakPolarHBondContact OG-CE 3.38Å; E115-K152 WeakPolarHBondContact OE2-CE 3.34Å; E115-K152 IonicContact OE2-NZ 2.87Å; E115-K152 PolarHBondContact OE2-NZ 3.43Å; G148-K152 PolarHBondContact O-N 2.84Å; G148-K152 VanDerWaalsContact O-N 3.12Å; V149-K152 PolarHBondContact O-N 3.45Å; K152-L154 PolarHBondContact O-N 3.34Å; K152-T155 PolarHBondContact O-N 3.07Å; K152-T155 PolarHBondContact O-OG1 3.39Å; K152-Q156 VanDerWaalsContact CE-OE1 3.31Å; K152-Q156 WeakPolarHBondContact O-CG 3.16Å; K152-Q156 PolarHBondContact O-N 2.68Å; K152-Q156 PolarHBondContact O-OE1 3.15Å
153I95.8Very high92.6Very high12 Ų1232.4 Ų32.46%0.06218%0.176CC..Hα-helixtrans-58.9-50.4177.6-62.7160.2000111.2L6 I8 V66 I118 I122 V149 T151 T155 Q156 L157L6-I153 HydrophobicContact CD2-CG2 3.74Å; I8-I153 HydrophobicContact CD1-CD1 4.07Å; V66-I153 HydrophobicContact CG1-CD1 4.44Å; I118-I153 HydrophobicContact CD1-CD1 4.12Å; I118-I153 HydrophobicContact CG2-CD1 3.81Å; I118-I153 HydrophobicContact CG2-CG1 4.12Å; I122-I153 HydrophobicContact CD1-CG2 3.94Å; V149-I153 HydrophobicContact CG1-CD1 3.73Å; V149-I153 HydrophobicContact CG1-CG1 4.32Å; V149-I153 WeakPolarHBondContact O-CG1 3.37Å; V149-I153 PolarHBondContact O-N 2.83Å; T151-I153 PolarHBondContact O-N 2.96Å; I153-T155 VanDerWaalsContact C-N 3.32Å; I153-T155 PolarHBondContact O-N 3.46Å; I153-Q156 PolarHBondContact O-N 2.78Å; I153-L157 HydrophobicContact CG2-CD2 4.19Å; I153-L157 HydrophobicContact CG2-CG 4.4Å; I153-L157 WeakPolarHBondContact O-CG 3.36Å; I153-L157 PolarHBondContact O-N 3.03Å
154L95.9Very high92.5Very high0 Ų032.2 Ų32.20%017%0.173CC..Hα-helixtrans-58.3-43.2-178.6-80.9171.6000112.2V137 M139 G150 T151 K152 Q156 L157 V166 S168 L193 L202V137-L154 HydrophobicContact CB-CD2 4.22Å; V137-L154 HydrophobicContact CG1-CD1 4.43Å; V137-L154 HydrophobicContact CG1-CD2 4.19Å; V137-L154 HydrophobicContact CG1-CG 4.45Å; V137-L154 HydrophobicContact CG2-CD2 3.7Å; M139-L154 HydrophobicContact SD-CD1 3.53Å; M139-L154 VanDerWaalsContact SD-CD1 3.53Å; G150-L154 VanDerWaalsContact O-CB 3.3Å; G150-L154 WeakPolarHBondContact O-CB 3.38Å; G150-L154 VanDerWaalsContact O-CG 3.31Å; G150-L154 WeakPolarHBondContact O-CG 3.38Å; G150-L154 PolarHBondContact O-N 3.47Å; T151-L154 PolarHBondContact O-N 2.88Å; K152-L154 PolarHBondContact O-N 3.34Å; L154-Q156 PolarHBondContact O-N 2.74Å; L154-Q156 VanDerWaalsContact O-N 3.13Å; L154-L157 HydrophobicContact CD2-CD1 3.84Å; L154-L157 PolarHBondContact O-N 3.43Å; L154-V166 HydrophobicContact CD2-CG1 3.94Å; L154-S168 WeakPolarHBondContact CD2-OG 3.05Å; L154-L193 HydrophobicContact CB-CD2 3.62Å; L154-L193 HydrophobicContact CD1-CD1 3.86Å; L154-L193 HydrophobicContact CD1-CD2 3.54Å; L154-L193 HydrophobicContact CD1-CG 4.38Å; L154-L193 HydrophobicContact CG-CD2 4.22Å; L154-L202 HydrophobicContact CB-CD1 4.31Å; L154-L202 HydrophobicContact CB-CD2 4.26Å; L154-L202 HydrophobicContact CD2-CD2 3.93Å
155T93.9Very high92.6Very high29 Ų2933.3 Ų33.318%0.17818%0.18CC..Hα-helixtrans-64.6-16.3179.355.10000113.7T151 K152 I153 H192 T198T151-T155 HydrophobicContact CG2-CG2 4.17Å; T151-T155 VanDerWaalsContact O-CG2 3.25Å; T151-T155 WeakPolarHBondContact O-CG2 3.38Å; T151-T155 PolarHBondContact O-N 3.14Å; T151-T155 PolarHBondContact O-OG1 3.12Å; T151-T155 VanDerWaalsContact O-OG1 3.07Å; K152-T155 PolarHBondContact O-N 3.07Å; K152-T155 PolarHBondContact O-OG1 3.39Å; I153-T155 VanDerWaalsContact C-N 3.32Å; I153-T155 PolarHBondContact O-N 3.46Å; T155-H192 HydrophobicContact CG2-CB 4.32Å; T155-T198 HydrophobicContact CG2-CG2 4.09Å
156Q91.8Very high92.6Very high33 Ų3333 Ų3315%0.15418%0.178CC..Hα-helixtrans-112.7-6.7-175.6-64.6178.1-58.400113.3E115 K152 I153 L154 S158 D159E115-Q156 VanDerWaalsContact CD-CD 3.46Å; E115-Q156 PolarHBondContact OE1-NE2 2.7Å; E115-Q156 PolarHBondContact OE1-OE1 2.88Å; E115-Q156 PolarHBondContact OE2-NE2 3.09Å; E115-Q156 VanDerWaalsContact OE2-NE2 3.08Å; E115-Q156 PolarHBondContact OE2-OE1 3.09Å; K152-Q156 VanDerWaalsContact CE-OE1 3.31Å; K152-Q156 WeakPolarHBondContact O-CG 3.16Å; K152-Q156 PolarHBondContact O-N 2.68Å; K152-Q156 PolarHBondContact O-OE1 3.15Å; I153-Q156 PolarHBondContact O-N 2.78Å; L154-Q156 PolarHBondContact O-N 2.74Å; L154-Q156 VanDerWaalsContact O-N 3.13Å; Q156-S158 PolarHBondContact O-N 2.8Å; Q156-S158 VanDerWaalsContact O-N 3.12Å; Q156-D159 WeakPolarHBondContact O-CB 3.34Å; Q156-D159 PolarHBondContact O-N 2.74Å
157L91Very high92.6Very high3 Ų332.8 Ų32.82%0.01618%0.176CC..Hα-helixtrans-56.5-31178.4-78.6-178.4000112.7I122 I135 I153 L154 D159 I160 I161 V166I122-L157 HydrophobicContact CD1-CD2 4.08Å; I122-L157 HydrophobicContact CG2-CD2 4.45Å; I135-L157 HydrophobicContact CD1-CD2 4.4Å; I153-L157 HydrophobicContact CG2-CD2 4.19Å; I153-L157 HydrophobicContact CG2-CG 4.4Å; I153-L157 WeakPolarHBondContact O-CG 3.36Å; I153-L157 PolarHBondContact O-N 3.03Å; L154-L157 HydrophobicContact CD2-CD1 3.84Å; L154-L157 PolarHBondContact O-N 3.43Å; L157-D159 PolarHBondContact O-N 3.11Å; L157-I160 HydrophobicContact CD2-CD1 4.31Å; L157-I160 PolarHBondContact O-N 3.37Å; L157-I161 PolarHBondContact O-N 3.25Å; L157-V166 HydrophobicContact CD1-CG1 4.05Å; L157-V166 HydrophobicContact CD1-CG2 4.09Å
158S88Confident92.7Very high34 Ų3432.8 Ų32.824%0.23818%0.176CC..Hα-helixtrans-63.5-27.4176.348.60000113.8Q156 I160 P162Q156-S158 PolarHBondContact O-N 2.8Å; Q156-S158 VanDerWaalsContact O-N 3.12Å; S158-I160 VanDerWaalsContact C-N 3.3Å; S158-P162 WeakPolarHBondContact O-CA 3.18Å; S158-P162 WeakPolarHBondContact O-CB 3.35Å; S158-P162 VanDerWaalsContact O-CD 3.29Å; S158-P162 WeakPolarHBondContact O-CD 3.42Å
159D88.4Confident92.7Very high127 Ų12732.9 Ų32.968%0.67918%0.176SC*.Hα-helixtrans-75.2-29.5179.7-59.8-17.4000110.5Q156 L157Q156-D159 WeakPolarHBondContact O-CB 3.34Å; Q156-D159 PolarHBondContact O-N 2.74Å; L157-D159 PolarHBondContact O-N 3.11Å
160I85.5Confident92.7Very high40 Ų4032.9 Ų32.921%0.20518%0.177CC..Hα-helixtrans-82.8-45.9177.5-44.9173.7000110.1Q119 L157 S158Q119-I160 HydrophobicContact CB-CD1 3.93Å; Q119-I160 HydrophobicContact CG-CD1 3.57Å; Q119-I160 HydrophobicContact CG-CG1 3.86Å; Q119-I160 HydrophobicContact CG-CG2 4.46Å; L157-I160 HydrophobicContact CD2-CD1 4.31Å; L157-I160 PolarHBondContact O-N 3.37Å; S158-I160 VanDerWaalsContact C-N 3.3Å
161I86.6Confident92.7Very high34 Ų3433 Ų3317%0.17418%0.177CC..  trans-145.875.1-169-33145.3000110.7I122 L126 I135 L157 K163 A164I122-I161 HydrophobicContact CG2-CD1 4.36Å; L126-I161 HydrophobicContact CD1-CD1 3.04Å; L126-I161 HydrophobicContact CD1-CG1 3.57Å; L126-I161 HydrophobicContact CD2-CD1 3.93Å; L126-I161 HydrophobicContact CG-CD1 4.1Å; I135-I161 HydrophobicContact CD1-CD1 3.46Å; I135-I161 VanDerWaalsContact CD1-CD1 3.46Å; L157-I161 PolarHBondContact O-N 3.25Å; I161-K163 PolarHBondContact O-N 3.46Å; I161-A164 HydrophobicContact CB-CB 3.96Å; I161-A164 HydrophobicContact CD1-CB 4.49Å; I161-A164 HydrophobicContact CG2-CB 3.43Å; I161-A164 VanDerWaalsContact CG2-CB 3.43Å; I161-A164 PolarHBondContact O-N 2.91Å
162P85Confident92.7Very high106 Ų10633.4 Ų33.469%0.68818%0.178SC*.THydrogen-bonded Turntrans-64.7-10-173.523.8-34.1000114.7S158S158-P162 WeakPolarHBondContact O-CA 3.18Å; S158-P162 WeakPolarHBondContact O-CB 3.35Å; S158-P162 VanDerWaalsContact O-CD 3.29Å; S158-P162 WeakPolarHBondContact O-CD 3.42Å
163K86Confident92.6Very high201 Ų20132.4 Ų32.487%0.87418%0.175SC*.THydrogen-bonded Turntrans-111.3-2.8-176.9-63.4-175.6179.7178.90114.2I161I161-K163 PolarHBondContact O-N 3.46Å
164A89.1Confident92.6Very high14 Ų1433.8 Ų33.812%0.11618%0.18CC..SBendtrans-84.5136.8-179.500000110.4L132 I161L132-A164 HydrophobicContact CD2-CB 3.68Å; I161-A164 HydrophobicContact CB-CB 3.96Å; I161-A164 HydrophobicContact CD1-CB 4.49Å; I161-A164 HydrophobicContact CG2-CB 3.43Å; I161-A164 VanDerWaalsContact CG2-CB 3.43Å; I161-A164 PolarHBondContact O-N 2.91Å
165C93.2Very high92.3Very high25 Ų2534.3 Ų34.317%0.16918%0.184CC..EExtended strand (participates in β ladder)trans-74.7134.9171.7-67.20000110.7G134 I135 D203 L265 L269G134-C165 CarbonylContact C-O 3.3Å; G134-C165 WeakPolarHBondContact CA-O 3.23Å; I135-C165 PolarHBondContact N-O 2.67Å; C165-D203 WeakPolarHBondContact CA-OD2 3.48Å; C165-L265 HydrophobicContact CB-CD2 3.95Å; C165-L269 HydrophobicContact CB-CD1 3.62Å
166V95.6Very high91.9Very high4 Ų443.8 Ų43.82%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-118.6115.7-178.6-175.20000110I135 V137 L154 L157 L202 D203 G204I135-V166 HydrophobicContact CB-CG2 4.49Å; V137-V166 HydrophobicContact CG2-CG1 4.01Å; L154-V166 HydrophobicContact CD2-CG1 3.94Å; L157-V166 HydrophobicContact CD1-CG1 4.05Å; L157-V166 HydrophobicContact CD1-CG2 4.09Å; V166-L202 HydrophobicContact CB-CD2 4.32Å; V166-L202 HydrophobicContact CG1-CD2 4.07Å; V166-D203 PolarHBondContact N-OD2 2.98Å; V166-G204 PolarHBondContact O-N 3Å
167L97Very high91.6Very high0 Ų044.2 Ų44.20%023%0.23CC..EExtended strand (participates in β ladder)trans-108.2115.6172.8179.361.1000109.4I135 L136 V137 I206 L265 Y268 L269I135-L167 PolarHBondContact O-N 3.46Å; L136-L167 CarbonylContact C-O 3.46Å; L136-L167 WeakPolarHBondContact CA-O 3.39Å; L136-L167 HydrophobicContact CD1-CB 4.35Å; L136-L167 HydrophobicContact CD1-CD2 4.08Å; L136-L167 HydrophobicContact CD1-CG 4.12Å; V137-L167 PolarHBondContact N-O 3.05Å; L167-I206 HydrophobicContact CD1-CD1 3.84Å; L167-I206 HydrophobicContact CD1-CG1 3.88Å; L167-I206 HydrophobicContact CD2-CD1 3.84Å; L167-I206 HydrophobicContact CG-CD1 3.98Å; L167-L265 HydrophobicContact CB-CD1 3.97Å; L167-L265 HydrophobicContact CB-CD2 3.99Å; L167-L265 HydrophobicContact CB-CG 3.9Å; L167-L265 HydrophobicContact CD2-CD1 4.39Å; L167-L265 HydrophobicContact CD2-CG 4.09Å; L167-Y268 HydrophobicContact CD1-CD1 4.03Å; L167-Y268 HydrophobicContact CD1-CE1 3.69Å; L167-Y268 HydrophobicContact CD2-CD1 3.94Å; L167-Y268 HydrophobicContact CD2-CE1 4.11Å; L167-L269 HydrophobicContact CB-CD1 4.47Å; L167-L269 HydrophobicContact CB-CD2 4.42Å; L167-L269 HydrophobicContact CD1-CD2 3.84Å
168S97.6Very high91.3Very high1 Ų147.8 Ų47.81%0.00725%0.246CC..EExtended strand (participates in β ladder)trans-106.9119.1-176.2-62.60000111.9L154 G204 F205 I206L154-S168 WeakPolarHBondContact CD2-OG 3.05Å; S168-G204 PolarHBondContact N-O 3.38Å; S168-F205 CarbonylContact O-C 3.42Å; S168-F205 VanDerWaalsContact O-CA 3.26Å; S168-F205 WeakPolarHBondContact O-CA 2.95Å; S168-I206 PolarHBondContact O-N 3.12Å
169Q97.8Very high91.4Very high1 Ų147.9 Ų47.91%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-84.2116168.6-66168.967.400109.7L136 V137 S138 M139 I171 I206 L243L136-Q169 HydrophobicContact CD1-CG 4.21Å; L136-Q169 VanDerWaalsContact CD1-NE2 3.27Å; V137-Q169 WeakPolarHBondContact O-CB 3.39Å; V137-Q169 PolarHBondContact O-N 2.9Å; S138-Q169 PolarHBondContact OG-NE2 2.99Å; M139-Q169 PolarHBondContact N-O 3.12Å; M139-Q169 VanDerWaalsContact N-O 3.09Å; Q169-I171 HydrophobicContact CB-CD1 4.22Å; Q169-I206 HydrophobicContact CG-CB 4.38Å; Q169-I206 HydrophobicContact CG-CD1 4.28Å; Q169-L243 HydrophobicContact CG-CD2 4.41Å
170L98Very high91.6Very high1 Ų145.7 Ų45.71%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-106.9112.8179.8-56.7-176.8000109M139 L141 W172 L190 L193 F205 I206 H208M139-L170 HydrophobicContact CE-CD2 4.3Å; M139-L170 HydrophobicContact CG-CD2 3.78Å; M139-L170 HydrophobicContact SD-CD2 4.13Å; L141-L170 HydrophobicContact CD1-CB 4.27Å; L141-L170 HydrophobicContact CD2-CB 4.2Å; L141-L170 HydrophobicContact CD2-CD1 4.32Å; L141-L170 HydrophobicContact CD2-CD2 4.12Å; L141-L170 HydrophobicContact CD2-CG 4.45Å; L141-L170 HydrophobicContact CG-CB 4.2Å; L170-W172 PolarHBondContact O-N 2.92Å; L170-L190 HydrophobicContact CD1-CD2 4Å; L170-L193 HydrophobicContact CD1-CD1 4.39Å; L170-L193 HydrophobicContact CD2-CD1 4.08Å; L170-F205 HydrophobicContact CD1-CB 4.08Å; L170-F205 HydrophobicContact CD1-CD1 3.67Å; L170-F205 HydrophobicContact CD1-CG 4.14Å; L170-F205 HydrophobicContact CG-CD1 4.14Å; L170-I206 PolarHBondContact N-O 3.26Å; L170-H208 PolarHBondContact O-N 2.91Å
171I97.6Very high92Very high2 Ų244.4 Ų44.41%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-86.5111.6178.9-69.247.8000107.1I15 M139 L141 Q169 H208 N210 L239I15-I171 HydrophobicContact CD1-CD1 3.66Å; I15-I171 HydrophobicContact CD1-CG1 3.3Å; M139-I171 PolarHBondContact O-N 3.23Å; L141-I171 PolarHBondContact N-O 3.27Å; Q169-I171 HydrophobicContact CB-CD1 4.22Å; I171-H208 HydrophobicContact CG1-CB 4.49Å; I171-N210 WeakPolarHBondContact CG2-OD1 3.34Å; I171-L239 HydrophobicContact CD1-CD1 4.19Å; I171-L239 HydrophobicContact CG1-CD1 4.07Å
172W96.1Very high92.4Very high8 Ų843.9 Ų43.93%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-85.9129.4-176.1-168.3-76.4000109.8L141 L170 L190 M207 H208 H209 N210 S443 L444 V447L141-W172 HydrophobicContact CD1-CD2 4.16Å; L141-W172 HydrophobicContact CD1-CE3 3.47Å; L141-W172 VanDerWaalsContact CD1-CE3 3.47Å; L141-W172 HydrophobicContact CD1-CZ3 3.89Å; L170-W172 PolarHBondContact O-N 2.92Å; W172-L190 HydrophobicContact CH2-CD1 3.68Å; W172-L190 HydrophobicContact CZ3-CD1 3.53Å; W172-L190 HydrophobicContact CZ3-CD2 4.5Å; W172-M207 HydrophobicContact CE3-SD 3.9Å; W172-M207 HydrophobicContact CZ3-SD 3.89Å; W172-H208 PolarHBondContact N-O 3.39Å; W172-H209 AromaticContact CD1-CD2 3.52Å; W172-H209 AromaticContact CG-CD2 3.62Å; W172-H209 AromaticContact CG-NE2 3.9Å; W172-N210 WeakPolarHBondContact O-CB 3.3Å; W172-N210 PolarHBondContact O-N 2.67Å; W172-N210 VanDerWaalsContact O-N 3.09Å; W172-S443 VanDerWaalsContact CZ2-O 3.32Å; W172-S443 WeakPolarHBondContact CZ2-O 3.32Å; W172-L444 HydrophobicContact CH2-CD2 4.05Å; W172-L444 HydrophobicContact CZ3-CD2 4.23Å; W172-V447 HydrophobicContact CH2-CB 4.25Å; W172-V447 HydrophobicContact CH2-CG1 3.76Å; W172-V447 HydrophobicContact CZ2-CB 3.88Å; W172-V447 HydrophobicContact CZ2-CG1 3.9Å; W172-V447 HydrophobicContact CZ2-CG2 4.49Å
173P95.2Very high92.9Very high6 Ų639.3 Ų39.34%0.03920%0.202CC..PPolyproline II helixtrans-68.2161.2-172.726.1-33.8000113.3A142 T175 E178 Q182A142-P173 HydrophobicContact CB-CB 3.86Å; A142-P173 HydrophobicContact CB-CG 4.29Å; P173-T175 PolarHBondContact O-N 2.98Å; P173-E178 WeakPolarHBondContact CA-OE1 3.48Å; P173-Q182 HydrophobicContact CG-CB 4.43Å; P173-Q182 HydrophobicContact CG-CG 4.36Å
174F94.6Very high93.5Very high40 Ų4029.7 Ų29.718%0.17516%0.16CC..PPolyproline II helixtrans-56.7133.5168.6-71.9-70.6000111.1R176 G177 E178 Q182 N210 D211 H214 M232 L235F174-R176 PolarHBondContact O-N 2.88Å; F174-G177 PolarHBondContact O-N 3.42Å; F174-E178 HydrophobicContact CB-CG 4.04Å; F174-E178 HydrophobicContact CD2-CG 3.65Å; F174-E178 WeakPolarHBondContact CD2-OE1 3.46Å; F174-E178 HydrophobicContact CG-CG 4.33Å; F174-E178 PolarHBondContact N-OE1 3.3Å; F174-Q182 PolarHBondContact O-NE2 3.11Å; F174-N210 HydrophobicContact CD1-CB 3.77Å; F174-N210 HydrophobicContact CD2-CB 3.98Å; F174-N210 HydrophobicContact CE1-CB 3.69Å; F174-N210 WeakPolarHBondContact CE1-O 3.27Å; F174-N210 HydrophobicContact CE2-CB 3.89Å; F174-N210 HydrophobicContact CG-CB 3.91Å; F174-N210 HydrophobicContact CZ-CB 3.74Å; F174-D211 WeakPolarHBondContact CA-OD2 3.35Å; F174-D211 HydrophobicContact CD1-CB 4.46Å; F174-H214 HydrophobicContact CE1-CB 3.77Å; F174-H214 HydrophobicContact CZ-CB 4.14Å; F174-M232 HydrophobicContact CE2-CE 3.78Å; F174-L235 HydrophobicContact CZ-CD2 3.98Å
175T90.7Very high93.9Very high12 Ų1229 Ų297%0.07416%0.155CC..THydrogen-bonded Turntrans-62.4-30.5-178.9-53.90000111.4P173 G177 D211 M432 Y446P173-T175 PolarHBondContact O-N 2.98Å; T175-G177 VanDerWaalsContact C-N 3.26Å; T175-G177 PolarHBondContact O-N 2.95Å; T175-D211 WeakPolarHBondContact CB-OD2 3.35Å; T175-D211 PolarHBondContact N-OD2 3.4Å; T175-D211 PolarHBondContact OG1-OD2 2.59Å; T175-M432 HydrophobicContact CG2-CB 4.35Å; T175-M432 HydrophobicContact CG2-CE 3.93Å; T175-M432 HydrophobicContact CG2-CG 3.32Å; T175-M432 HydrophobicContact CG2-SD 4.45Å; T175-Y446 HydrophobicContact CG2-CD1 4.1Å; T175-Y446 HydrophobicContact CG2-CE1 3.46Å; T175-Y446 VanDerWaalsContact CG2-CE1 3.46Å
176R86Confident94.1Very high227 Ų22727.9 Ų27.986%0.85715%0.147SC*.THydrogen-bonded Turntrans-72.9-13174.9-67.9-176.1176.9-173.9-1.1114.5F174 M432F174-R176 PolarHBondContact O-N 2.88Å; R176-M432 HydrophobicContact CG-CE 4.21Å
177G83.9Confident94.1Very high43 Ų4327.7 Ų27.744%0.44315%0.146SC..  trans98.4125.2-178.500000113.5F174 T175F174-G177 PolarHBondContact O-N 3.42Å; T175-G177 VanDerWaalsContact C-N 3.26Å; T175-G177 PolarHBondContact O-N 2.95Å
178E86.1Confident94.2Very high77 Ų7727.7 Ų27.736%0.3615%0.146SC..SBendtrans-102.1-37.4165.6-63.8170.8-152.400110.3P173 F174 N210P173-E178 WeakPolarHBondContact CA-OE1 3.48Å; F174-E178 HydrophobicContact CB-CG 4.04Å; F174-E178 HydrophobicContact CD2-CG 3.65Å; F174-E178 WeakPolarHBondContact CD2-OE1 3.46Å; F174-E178 HydrophobicContact CG-CG 4.33Å; F174-E178 PolarHBondContact N-OE1 3.3Å; E178-N210 PolarHBondContact OE1-ND2 3.06Å
179V90.2Very high94.2Very high37 Ų3727.6 Ų27.622%0.22415%0.145CC..SBendtrans-137139.6-179.5-172.70000109.2N101 V181 Q182N101-V179 HydrophobicContact CB-CG1 3.82Å; V179-V181 HydrophobicContact CG1-CG2 3.98Å; V179-V181 PolarHBondContact O-N 2.9Å; V179-V181 VanDerWaalsContact O-N 3.1Å; V179-Q182 HydrophobicContact CB-CB 4.44Å; V179-Q182 WeakPolarHBondContact O-CB 3.41Å; V179-Q182 WeakPolarHBondContact O-CG 3.46Å; V179-Q182 PolarHBondContact O-N 2.91Å; V179-Q182 PolarHBondContact O-OE1 3.25Å
180S90.9Very high94.2Very high81 Ų8127.6 Ų27.657%0.56615%0.145SC*.THydrogen-bonded Turntrans-57.6-28.4-177-50.80000114.3
181V94.6Very high94.2Very high12 Ų1227.7 Ų27.77%0.07315%0.147CC..THydrogen-bonded Turntrans-104.99.2-176.1-59.30000114N101 V179 A183 Y184 N185 Y460 Y464N101-V181 WeakPolarHBondContact O-CG2 3.46Å; V179-V181 HydrophobicContact CG1-CG2 3.98Å; V179-V181 PolarHBondContact O-N 2.9Å; V179-V181 VanDerWaalsContact O-N 3.1Å; V181-A183 PolarHBondContact O-N 3.49Å; V181-A183 VanDerWaalsContact O-N 3.13Å; V181-Y184 PolarHBondContact O-N 3.16Å; V181-Y184 VanDerWaalsContact O-N 3.07Å; V181-N185 PolarHBondContact O-N 2.92Å; V181-Y460 HydrophobicContact CG1-CD1 4.17Å; V181-Y460 HydrophobicContact CG1-CD2 4.04Å; V181-Y460 HydrophobicContact CG1-CG 3.7Å; V181-Y464 HydrophobicContact CB-CE2 4.21Å; V181-Y464 VanDerWaalsContact CB-OH 3.26Å; V181-Y464 WeakPolarHBondContact CB-OH 3.42Å; V181-Y464 HydrophobicContact CG1-CE2 4.25Å; V181-Y464 VanDerWaalsContact CG2-OH 3.29Å; V181-Y464 WeakPolarHBondContact CG2-OH 3.35Å
182Q95.8Very high94.1Very high23 Ų2329.6 Ų29.611%0.10716%0.155CC..Hα-helixtrans-58.7-30.4-175.571.4-176.635.300113.8A142 P173 F174 V179 N185 A186A142-Q182 HydrophobicContact CB-CB 3.8Å; P173-Q182 HydrophobicContact CG-CB 4.43Å; P173-Q182 HydrophobicContact CG-CG 4.36Å; F174-Q182 PolarHBondContact O-NE2 3.11Å; V179-Q182 HydrophobicContact CB-CB 4.44Å; V179-Q182 WeakPolarHBondContact O-CB 3.41Å; V179-Q182 WeakPolarHBondContact O-CG 3.46Å; V179-Q182 PolarHBondContact O-N 2.91Å; V179-Q182 PolarHBondContact O-OE1 3.25Å; Q182-N185 PolarHBondContact O-N 3.22Å; Q182-A186 VanDerWaalsContact O-CB 3.3Å; Q182-A186 WeakPolarHBondContact O-CB 3.44Å; Q182-A186 PolarHBondContact O-N 2.81Å
183A95.6Very high94.2Very high10 Ų1029.2 Ų29.28%0.08315%0.154CC..Hα-helixtrans-67.6-38.6178.900000111.5V181 I187 V447 R450 A451 L454V181-A183 PolarHBondContact O-N 3.49Å; V181-A183 VanDerWaalsContact O-N 3.13Å; A183-I187 WeakPolarHBondContact O-CB 3.46Å; A183-I187 WeakPolarHBondContact O-CG2 3.34Å; A183-I187 PolarHBondContact O-N 2.71Å; A183-V447 HydrophobicContact CB-CG2 4.41Å; A183-R450 HydrophobicContact CB-CB 3.87Å; A183-A451 HydrophobicContact CB-CB 4.35Å; A183-L454 HydrophobicContact CB-CD1 4.11Å
184Y97.4Very high94.2Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-64.8-45.5171.7-73.4-42.4000112.1V181 A186 I187 L188 A451 L454 F455 A459 Y464 F474V181-Y184 PolarHBondContact O-N 3.16Å; V181-Y184 VanDerWaalsContact O-N 3.07Å; Y184-A186 VanDerWaalsContact C-N 3.32Å; Y184-A186 PolarHBondContact O-N 2.96Å; Y184-I187 WeakPolarHBondContact O-CG2 3.44Å; Y184-I187 PolarHBondContact O-N 3.21Å; Y184-L188 WeakPolarHBondContact O-CB 3.42Å; Y184-L188 WeakPolarHBondContact O-CD1 3.27Å; Y184-L188 WeakPolarHBondContact O-CG 3.05Å; Y184-L188 PolarHBondContact O-N 2.89Å; Y184-A451 HydrophobicContact CD1-CB 4.35Å; Y184-A451 WeakPolarHBondContact CE1-O 3.47Å; Y184-L454 HydrophobicContact CD2-CD1 4.26Å; Y184-L454 HydrophobicContact CE1-CB 4.05Å; Y184-L454 HydrophobicContact CE2-CB 3.83Å; Y184-L454 HydrophobicContact CE2-CD1 4.2Å; Y184-L454 WeakPolarHBondContact OH-CB 3.23Å; Y184-L454 PolarHBondContact OH-O 2.55Å; Y184-F455 HydrophobicContact CE1-CB 4.15Å; Y184-F455 WeakPolarHBondContact OH-CA 3.42Å; Y184-F455 PolarHBondContact OH-N 3.43Å; Y184-A459 WeakPolarHBondContact CE2-O 3.41Å; Y184-A459 PolarHBondContact OH-O 2.87Å; Y184-Y464 HydrophobicContact CD2-CD2 4.48Å; Y184-Y464 HydrophobicContact CD2-CE2 4.01Å; Y184-F474 HydrophobicContact CD1-CD2 4.36Å; Y184-F474 AromaticContact CD1-CE2 3.65Å; Y184-F474 HydrophobicContact CD1-CE2 3.65Å; Y184-F474 HydrophobicContact CD1-CZ 4.33Å; Y184-F474 HydrophobicContact CE1-CD2 4.43Å; Y184-F474 AromaticContact CE1-CE2 3.67Å; Y184-F474 HydrophobicContact CE1-CE2 3.67Å; Y184-F474 AromaticContact CE1-CZ 3.96Å; Y184-F474 HydrophobicContact CE1-CZ 3.96Å
185N97.5Very high94.1Very high0 Ų028.6 Ų28.60%015%0.154CC..Hα-helixtrans-61.3-44.3-179.8-65.5-13.6000111.5N101 W103 L141 A142 V181 Q182 T189 Y464N101-N185 PolarHBondContact O-ND2 3.22Å; W103-N185 HydrophobicContact CB-CB 4.17Å; W103-N185 WeakPolarHBondContact CB-OD1 3.32Å; W103-N185 PolarHBondContact N-OD1 2.73Å; W103-N185 VanDerWaalsContact N-OD1 3.08Å; L141-N185 CarbonylContact O-C 3.55Å; L141-N185 WeakPolarHBondContact O-CB 3.3Å; A142-N185 PolarHBondContact O-ND2 3.28Å; V181-N185 PolarHBondContact O-N 2.92Å; Q182-N185 PolarHBondContact O-N 3.22Å; N185-T189 VanDerWaalsContact O-CB 3.25Å; N185-T189 WeakPolarHBondContact O-CB 3.27Å; N185-T189 PolarHBondContact O-N 2.8Å; N185-T189 PolarHBondContact O-OG1 3.01Å; N185-Y464 PolarHBondContact OD1-OH 2.74Å
186A97.3Very high94.1Very high0 Ų032.9 Ų32.90%018%0.182CC..Hα-helixtrans-66.5-47.1179.100000112.1L141 Q182 Y184 T189 L190 V447L141-A186 HydrophobicContact CB-CB 4.04Å; L141-A186 PolarHBondContact O-N 3.17Å; Q182-A186 VanDerWaalsContact O-CB 3.3Å; Q182-A186 WeakPolarHBondContact O-CB 3.44Å; Q182-A186 PolarHBondContact O-N 2.81Å; Y184-A186 VanDerWaalsContact C-N 3.32Å; Y184-A186 PolarHBondContact O-N 2.96Å; A186-T189 PolarHBondContact O-N 2.87Å; A186-L190 WeakPolarHBondContact O-CB 3.45Å; A186-L190 WeakPolarHBondContact O-CD1 3.46Å; A186-L190 WeakPolarHBondContact O-CG 3.38Å; A186-L190 PolarHBondContact O-N 2.99Å; A186-V447 HydrophobicContact CB-CG2 3.71Å
187I97.1Very high94.2Very high0 Ų026.7 Ų26.70%017%0.173CC..Hα-helixtrans-66.7-41.1-178-160.673.3000112.3A183 Y184 L190 G191 V447 S448 A451 F474 V478 V481A183-I187 WeakPolarHBondContact O-CB 3.46Å; A183-I187 WeakPolarHBondContact O-CG2 3.34Å; A183-I187 PolarHBondContact O-N 2.71Å; Y184-I187 WeakPolarHBondContact O-CG2 3.44Å; Y184-I187 PolarHBondContact O-N 3.21Å; I187-L190 PolarHBondContact O-N 3.31Å; I187-G191 PolarHBondContact O-N 3.41Å; I187-V447 HydrophobicContact CD1-CG1 4.23Å; I187-S448 VanDerWaalsContact CD1-OG 3.31Å; I187-S448 WeakPolarHBondContact CD1-OG 3.46Å; I187-A451 HydrophobicContact CB-CB 4.09Å; I187-A451 HydrophobicContact CG1-CB 4.44Å; I187-A451 HydrophobicContact CG2-CB 3.75Å; I187-F474 HydrophobicContact CG2-CD2 4.43Å; I187-F474 HydrophobicContact CG2-CE2 3.85Å; I187-V478 HydrophobicContact CG1-CG2 3.92Å; I187-V481 HydrophobicContact CD1-CB 3.61Å; I187-V481 HydrophobicContact CD1-CG1 3.63Å; I187-V481 HydrophobicContact CD1-CG2 3.77Å; I187-V481 HydrophobicContact CG1-CG2 4.47Å
188L98.2Very high94.4Very high0 Ų025 Ų250%016%0.155CC..Hα-helixtrans-67-42.4179.1-67.6167.4000110.4W103 Y184 H192 Y464 L469 F474 C477W103-L188 HydrophobicContact CB-CD1 4.46Å; W103-L188 HydrophobicContact CD2-CB 3.58Å; W103-L188 HydrophobicContact CD2-CD1 3.91Å; W103-L188 HydrophobicContact CD2-CG 4.35Å; W103-L188 HydrophobicContact CE3-CB 3.82Å; W103-L188 HydrophobicContact CE3-CD1 3.49Å; W103-L188 VanDerWaalsContact CE3-CD1 3.49Å; W103-L188 HydrophobicContact CE3-CG 4.16Å; W103-L188 HydrophobicContact CG-CB 4.05Å; W103-L188 HydrophobicContact CG-CD1 4.32Å; W103-L188 HydrophobicContact CH2-CB 4.21Å; W103-L188 HydrophobicContact CZ2-CB 3.97Å; W103-L188 HydrophobicContact CZ3-CB 4.13Å; W103-L188 HydrophobicContact CZ3-CD1 4.06Å; W103-L188 HydrophobicContact CZ3-CD2 4.43Å; W103-L188 HydrophobicContact CZ3-CG 4.44Å; Y184-L188 WeakPolarHBondContact O-CB 3.42Å; Y184-L188 WeakPolarHBondContact O-CD1 3.27Å; Y184-L188 WeakPolarHBondContact O-CG 3.05Å; Y184-L188 PolarHBondContact O-N 2.89Å; L188-H192 PolarHBondContact O-CD2 2.82Å; L188-H192 PolarHBondContact O-N 3.32Å; L188-Y464 HydrophobicContact CD1-CD1 3.92Å; L188-Y464 HydrophobicContact CD1-CE1 3.97Å; L188-L469 HydrophobicContact CD1-CD1 4.28Å; L188-L469 HydrophobicContact CD1-CD2 4.01Å; L188-L469 HydrophobicContact CD2-CD1 3.75Å; L188-L469 HydrophobicContact CD2-CD2 4.49Å; L188-F474 HydrophobicContact CD2-CD2 4.18Å; L188-C477 HydrophobicContact CD2-CB 4.34Å
189T98.1Very high94.4Very high0 Ų022.2 Ų22.20%015%0.145CC..Hα-helixtrans-59.3-54.2173.8-59.40000111.3W103 M139 L141 S147 T151 N185 A186 G191 H192 L193W103-T189 VanDerWaalsContact CD1-OG1 3.25Å; W103-T189 PolarHBondContact NE1-OG1 3.31Å; M139-T189 HydrophobicContact CE-CG2 3.65Å; L141-T189 HydrophobicContact CD2-CG2 3.47Å; L141-T189 VanDerWaalsContact CD2-CG2 3.47Å; S147-T189 VanDerWaalsContact CB-OG1 3.26Å; S147-T189 WeakPolarHBondContact CB-OG1 3.36Å; T151-T189 WeakPolarHBondContact OG1-CG2 3.29Å; T151-T189 PolarHBondContact OG1-OG1 3.41Å; N185-T189 VanDerWaalsContact O-CB 3.25Å; N185-T189 WeakPolarHBondContact O-CB 3.27Å; N185-T189 PolarHBondContact O-N 2.8Å; N185-T189 PolarHBondContact O-OG1 3.01Å; A186-T189 PolarHBondContact O-N 2.87Å; T189-G191 VanDerWaalsContact C-N 3.34Å; T189-G191 PolarHBondContact O-N 3.45Å; T189-H192 PolarHBondContact O-N 3.48Å; T189-L193 HydrophobicContact CG2-CD1 3.55Å; T189-L193 HydrophobicContact CG2-CG 4.09Å; T189-L193 WeakPolarHBondContact O-CB 3.49Å; T189-L193 VanDerWaalsContact O-CG 3.24Å; T189-L193 WeakPolarHBondContact O-CG 3.37Å; T189-L193 PolarHBondContact O-N 3.04Å
190L97.5Very high94.1Very high1 Ų127.8 Ų27.81%0.00517%0.173CC..Hα-helixtrans-64.8-37.9-176.6-67.2167.8000112L141 L170 W172 A186 I187 H192 L193 L194 L444 V447 V481L141-L190 HydrophobicContact CD1-CD1 4.45Å; L141-L190 HydrophobicContact CD1-CD2 4.35Å; L141-L190 HydrophobicContact CD1-CG 4.47Å; L170-L190 HydrophobicContact CD1-CD2 4Å; W172-L190 HydrophobicContact CH2-CD1 3.68Å; W172-L190 HydrophobicContact CZ3-CD1 3.53Å; W172-L190 HydrophobicContact CZ3-CD2 4.5Å; A186-L190 WeakPolarHBondContact O-CB 3.45Å; A186-L190 WeakPolarHBondContact O-CD1 3.46Å; A186-L190 WeakPolarHBondContact O-CG 3.38Å; A186-L190 PolarHBondContact O-N 2.99Å; I187-L190 PolarHBondContact O-N 3.31Å; L190-H192 VanDerWaalsContact C-N 3.33Å; L190-H192 PolarHBondContact O-N 3.04Å; L190-L193 PolarHBondContact O-N 3.44Å; L190-L194 HydrophobicContact CB-CD1 4.17Å; L190-L194 HydrophobicContact CD2-CD1 4.12Å; L190-L194 WeakPolarHBondContact O-CB 3.28Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.24Å; L190-L194 PolarHBondContact O-N 3.38Å; L190-L444 HydrophobicContact CD1-CD2 3.96Å; L190-V447 HydrophobicContact CD1-CG1 4.44Å; L190-V481 HydrophobicContact CB-CG2 3.63Å
191G96.9Very high93.9Very high3 Ų325 Ų253%0.03115%0.154CC..Hα-helixtrans-58.2-43.9176.400000112.4I187 T189 S195I187-G191 PolarHBondContact O-N 3.41Å; T189-G191 VanDerWaalsContact C-N 3.34Å; T189-G191 PolarHBondContact O-N 3.45Å; G191-S195 VanDerWaalsContact O-CB 3.3Å; G191-S195 WeakPolarHBondContact O-CB 3.28Å; G191-S195 PolarHBondContact O-N 3.24Å
192H96.9Very high93.8Very high42 Ų4224.5 Ų24.519%0.19415%0.151CC..Hα-helixtrans-74-43.8176.2-79.2-77.1000113.4W103 T151 T155 L188 T189 L190 T198W103-H192 AromaticContact CH2-CD2 3.64Å; W103-H192 AromaticContact CH2-NE2 3.5Å; W103-H192 WeakPolarHBondContact CH2-NE2 3.25Å; W103-H192 AromaticContact CZ2-CD2 3.48Å; W103-H192 VanDerWaalsContact CZ2-CD2 3.48Å; W103-H192 WeakPolarHBondContact CZ2-CD2 3.28Å; W103-H192 AromaticContact CZ2-NE2 3.86Å; T151-H192 HydrophobicContact CG2-CB 3.39Å; T155-H192 HydrophobicContact CG2-CB 4.32Å; L188-H192 PolarHBondContact O-CD2 2.82Å; L188-H192 PolarHBondContact O-N 3.32Å; T189-H192 PolarHBondContact O-N 3.48Å; L190-H192 VanDerWaalsContact C-N 3.33Å; L190-H192 PolarHBondContact O-N 3.04Å; H192-T198 WeakPolarHBondContact O-CG2 3.46Å; H192-T198 PolarHBondContact O-OG1 3.12Å
193L96.5Very high93.6Very high0 Ų025.8 Ų25.80%016%0.158CC..Hα-helixtrans-71.9-31.2-175.9-64.9-174.1000113.1M139 T151 L154 L170 T189 L190 T198 L202 F205M139-L193 HydrophobicContact CE-CD1 4.44Å; T151-L193 HydrophobicContact CG2-CD2 4.35Å; L154-L193 HydrophobicContact CB-CD2 3.62Å; L154-L193 HydrophobicContact CD1-CD1 3.86Å; L154-L193 HydrophobicContact CD1-CD2 3.54Å; L154-L193 HydrophobicContact CD1-CG 4.38Å; L154-L193 HydrophobicContact CG-CD2 4.22Å; L170-L193 HydrophobicContact CD1-CD1 4.39Å; L170-L193 HydrophobicContact CD2-CD1 4.08Å; T189-L193 HydrophobicContact CG2-CD1 3.55Å; T189-L193 HydrophobicContact CG2-CG 4.09Å; T189-L193 WeakPolarHBondContact O-CB 3.49Å; T189-L193 VanDerWaalsContact O-CG 3.24Å; T189-L193 WeakPolarHBondContact O-CG 3.37Å; T189-L193 PolarHBondContact O-N 3.04Å; L190-L193 PolarHBondContact O-N 3.44Å; L193-T198 PolarHBondContact O-OG1 3.23Å; L193-L202 HydrophobicContact CB-CD1 4.29Å; L193-L202 HydrophobicContact CD2-CD1 3.62Å; L193-F205 HydrophobicContact CB-CE1 3.87Å; L193-F205 HydrophobicContact CB-CZ 3.88Å; L193-F205 HydrophobicContact CD1-CE1 3.99Å; L193-F205 HydrophobicContact CG-CE1 4.41Å; L193-F205 WeakPolarHBondContact O-CZ 3.29Å
194L95.2Very high93.6Very high8 Ų825.3 Ų25.34%0.04215%0.154CC..Hα-helixtrans-99.8-4-178.3-55.6175.6000113.7L190 F205 R279 I280 I484L190-L194 HydrophobicContact CB-CD1 4.17Å; L190-L194 HydrophobicContact CD2-CD1 4.12Å; L190-L194 WeakPolarHBondContact O-CB 3.28Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.24Å; L190-L194 PolarHBondContact O-N 3.38Å; L194-F205 HydrophobicContact CD2-CD2 3.65Å; L194-F205 HydrophobicContact CD2-CE2 3.56Å; L194-F205 HydrophobicContact CD2-CG 4.43Å; L194-F205 HydrophobicContact CD2-CZ 4.28Å; L194-R279 PolarHBondContact O-NH2 3.1Å; L194-I280 HydrophobicContact CD1-CD1 3.98Å; L194-I280 HydrophobicContact CD2-CD1 4.25Å; L194-I280 HydrophobicContact CD2-CG1 4.21Å; L194-I484 HydrophobicContact CB-CD1 3.23Å; L194-I484 HydrophobicContact CD1-CD1 3.83Å; L194-I484 HydrophobicContact CD1-CG2 4.42Å; L194-I484 HydrophobicContact CG-CD1 4.08Å
195S93.5Very high93.6Very high24 Ų2425.4 Ų25.417%0.16816%0.155CC..SBendtrans-51.1146175.5173.70000112.1G191 S197 T198 A199G191-S195 VanDerWaalsContact O-CB 3.3Å; G191-S195 WeakPolarHBondContact O-CB 3.28Å; G191-S195 PolarHBondContact O-N 3.24Å; S195-S197 PolarHBondContact O-N 2.8Å; S195-S197 VanDerWaalsContact O-N 3.1Å; S195-S197 PolarHBondContact OG-N 2.98Å; S195-S197 PolarHBondContact OG-OG 3.14Å; S195-T198 PolarHBondContact O-N 3.39Å; S195-T198 PolarHBondContact O-OG1 3.2Å; S195-A199 PolarHBondContact O-N 3.09Å
196P89.9Confident93.5Very high102 Ų10225.4 Ų25.466%0.66216%0.155SC*.G310 helixtrans-52.7-29.9170-26.535000113.5T198 A199P196-T198 VanDerWaalsContact C-N 3.31Å; P196-T198 PolarHBondContact O-N 3.13Å; P196-A199 WeakPolarHBondContact O-CB 3.41Å; P196-A199 PolarHBondContact O-N 3.31Å
197S88.2Confident93.5Very high97 Ų9725.7 Ų25.768%0.67816%0.156SC*.G310 helixtrans-66.8-30.617962.90000113.4S195S195-S197 PolarHBondContact O-N 2.8Å; S195-S197 VanDerWaalsContact O-N 3.1Å; S195-S197 PolarHBondContact OG-N 2.98Å; S195-S197 PolarHBondContact OG-OG 3.14Å
198T89.5Confident93.4Very high9 Ų925.9 Ų25.96%0.05516%0.157CC..G310 helixtrans-99.70.217953.40000112.6T155 H192 L193 S195 P196 N200 S201 L202 R279T155-T198 HydrophobicContact CG2-CG2 4.09Å; H192-T198 WeakPolarHBondContact O-CG2 3.46Å; H192-T198 PolarHBondContact O-OG1 3.12Å; L193-T198 PolarHBondContact O-OG1 3.23Å; S195-T198 PolarHBondContact O-N 3.39Å; S195-T198 PolarHBondContact O-OG1 3.2Å; P196-T198 VanDerWaalsContact C-N 3.31Å; P196-T198 PolarHBondContact O-N 3.13Å; T198-N200 PolarHBondContact O-N 3.12Å; T198-S201 WeakPolarHBondContact CA-OG 3.23Å; T198-S201 PolarHBondContact O-N 2.81Å; T198-S201 VanDerWaalsContact O-N 3.13Å; T198-S201 PolarHBondContact O-OG 2.92Å; T198-L202 PolarHBondContact O-N 3.44Å; T198-R279 PolarHBondContact O-NH1 2.86Å
199A84.6Confident93.2Very high18 Ų1826.1 Ų26.115%0.14916%0.158CC..THydrogen-bonded Turntrans-59.6-30.7-178.100000114S195 P196 P276S195-A199 PolarHBondContact O-N 3.09Å; P196-A199 WeakPolarHBondContact O-CB 3.41Å; P196-A199 PolarHBondContact O-N 3.31Å; A199-P276 HydrophobicContact CB-CB 3.91Å
200N84.6Confident93.1Very high153 Ų15326.7 Ų26.782%0.81816%0.161SC*.THydrogen-bonded Turntrans-92.1-13179.8-65.3-31.8000113.8T198T198-N200 PolarHBondContact O-N 3.12Å
201S86.3Confident92.9Very high24 Ų2428 Ų2817%0.16817%0.168CC..THydrogen-bonded Turntrans-105.3-25.5-177.853.90000113.6T198T198-S201 WeakPolarHBondContact CA-OG 3.23Å; T198-S201 PolarHBondContact O-N 2.81Å; T198-S201 VanDerWaalsContact O-N 3.13Å; T198-S201 PolarHBondContact O-OG 2.92Å
202L92.2Very high92.6Very high1 Ų128.7 Ų28.71%0.00517%0.172CC..  trans-116109.1179.6-60.8-179.6000109.7L154 V166 L193 T198 F205 R279L154-L202 HydrophobicContact CB-CD1 4.31Å; L154-L202 HydrophobicContact CB-CD2 4.26Å; L154-L202 HydrophobicContact CD2-CD2 3.93Å; V166-L202 HydrophobicContact CB-CD2 4.32Å; V166-L202 HydrophobicContact CG1-CD2 4.07Å; L193-L202 HydrophobicContact CB-CD1 4.29Å; L193-L202 HydrophobicContact CD2-CD1 3.62Å; T198-L202 PolarHBondContact O-N 3.44Å; L202-F205 HydrophobicContact CB-CE2 4.46Å; L202-F205 HydrophobicContact CB-CZ 3.78Å; L202-F205 HydrophobicContact CD1-CE1 4.38Å; L202-F205 HydrophobicContact CD1-CZ 3.97Å; L202-R279 WeakPolarHBondContact O-CD 3.45Å; L202-R279 PolarHBondContact O-NH1 3.09Å
203D93.1Very high92.5Very high50 Ų5027 Ų2727%0.26716%0.164SC..  trans-78.9-40.9-168.5-54-84.9000113.5C165 V166 L269 C273 R279C165-D203 WeakPolarHBondContact CA-OD2 3.48Å; V166-D203 PolarHBondContact N-OD2 2.98Å; D203-L269 HydrophobicContact CB-CB 4.45Å; D203-L269 HydrophobicContact CB-CD1 3.67Å; D203-L269 HydrophobicContact CB-CD2 3.84Å; D203-L269 HydrophobicContact CB-CG 4.2Å; D203-C273 VanDerWaalsContact O-CB 3.3Å; D203-C273 WeakPolarHBondContact O-CB 3.41Å; D203-R279 WeakPolarHBondContact O-CD 3.35Å; D203-R279 WeakPolarHBondContact O-CG 3.47Å
204G94.8Very high92.3Very high0 Ų030.3 Ų30.30%018%0.179CC..EExtended strand (participates in β ladder)trans-161.1152-172.600000115.7V166 S168V166-G204 PolarHBondContact O-N 3Å; S168-G204 PolarHBondContact N-O 3.38Å
205F97Very high92.1Very high1 Ų131.4 Ų31.40%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-126.5131-177.9-55.1-82.3000110.2S168 L170 L193 L194 L202 R279 T281S168-F205 CarbonylContact O-C 3.42Å; S168-F205 VanDerWaalsContact O-CA 3.26Å; S168-F205 WeakPolarHBondContact O-CA 2.95Å; L170-F205 HydrophobicContact CD1-CB 4.08Å; L170-F205 HydrophobicContact CD1-CD1 3.67Å; L170-F205 HydrophobicContact CD1-CG 4.14Å; L170-F205 HydrophobicContact CG-CD1 4.14Å; L193-F205 HydrophobicContact CB-CE1 3.87Å; L193-F205 HydrophobicContact CB-CZ 3.88Å; L193-F205 HydrophobicContact CD1-CE1 3.99Å; L193-F205 HydrophobicContact CG-CE1 4.41Å; L193-F205 WeakPolarHBondContact O-CZ 3.29Å; L194-F205 HydrophobicContact CD2-CD2 3.65Å; L194-F205 HydrophobicContact CD2-CE2 3.56Å; L194-F205 HydrophobicContact CD2-CG 4.43Å; L194-F205 HydrophobicContact CD2-CZ 4.28Å; L202-F205 HydrophobicContact CB-CE2 4.46Å; L202-F205 HydrophobicContact CB-CZ 3.78Å; L202-F205 HydrophobicContact CD1-CE1 4.38Å; L202-F205 HydrophobicContact CD1-CZ 3.97Å; F205-R279 HydrophobicContact CD2-CB 4.01Å; F205-R279 HydrophobicContact CE2-CB 4.29Å; F205-R279 PolarHBondContact N-O 3.41Å; F205-T281 PolarHBondContact O-N 3.48Å; F205-T281 PolarHBondContact O-OG1 3.19Å
206I97.1Very high91.9Very high0 Ų031 Ų310%018%0.183CC..EExtended strand (participates in β ladder)trans-101.7120.6168-62.9163.1000107.6L167 S168 Q169 L170 H208 L243 Y268 T281 L283L167-I206 HydrophobicContact CD1-CD1 3.84Å; L167-I206 HydrophobicContact CD1-CG1 3.88Å; L167-I206 HydrophobicContact CD2-CD1 3.84Å; L167-I206 HydrophobicContact CG-CD1 3.98Å; S168-I206 PolarHBondContact O-N 3.12Å; Q169-I206 HydrophobicContact CG-CB 4.38Å; Q169-I206 HydrophobicContact CG-CD1 4.28Å; L170-I206 PolarHBondContact N-O 3.26Å; I206-H208 WeakPolarHBondContact CG2-NE2 3.38Å; I206-L243 HydrophobicContact CD1-CD1 3.77Å; I206-Y268 HydrophobicContact CD1-CE1 4.34Å; I206-Y268 HydrophobicContact CG1-CE1 4.33Å; I206-Y268 WeakPolarHBondContact CG1-OH 3.23Å; I206-T281 WeakPolarHBondContact CG1-OG1 3.32Å; I206-L283 HydrophobicContact CD1-CD1 4.26Å; I206-L283 HydrophobicContact CG2-CD1 4.06Å; I206-L283 HydrophobicContact CG2-CD2 4.39Å; I206-L283 HydrophobicContact CG2-CG 3.71Å
207M95.5Very high92Very high6 Ų626.1 Ų26.13%0.0315%0.152CC..EExtended strand (participates in β ladder)trans-91.3126.9172.8-67.7-170-49.800111.1W172 I280 T281 T440W172-M207 HydrophobicContact CE3-SD 3.9Å; W172-M207 HydrophobicContact CZ3-SD 3.89Å; M207-I280 HydrophobicContact CE-CG2 3.18Å; M207-I280 HydrophobicContact CG-CG2 3.75Å; M207-I280 HydrophobicContact SD-CG2 3.58Å; M207-I280 VanDerWaalsContact SD-CG2 3.58Å; M207-T281 PolarHBondContact N-O 3.26Å; M207-T440 HydrophobicContact CE-CG2 3.83Å; M207-T440 WeakPolarHBondContact CE-OG1 3.24Å
208H95.8Very high92Very high4 Ų422.5 Ų22.52%0.01913%0.127CC..EExtended strand (participates in β ladder)trans-115.8101174-69.3-65.4000109.9L170 I171 W172 I206 L213 L239L170-H208 PolarHBondContact O-N 2.91Å; I171-H208 HydrophobicContact CG1-CB 4.49Å; W172-H208 PolarHBondContact N-O 3.39Å; I206-H208 WeakPolarHBondContact CG2-NE2 3.38Å; H208-L213 HydrophobicContact CB-CD1 4.18Å; H208-L239 HydrophobicContact CB-CD1 3.69Å; H208-L239 HydrophobicContact CB-CG 4.36Å
209H94.7Very high91.9Very high6 Ų624.5 Ų24.53%0.02814%0.137CC..EExtended strand (participates in β ladder)trans-78.5119.8177.6-6378.8000112.1W172 D211 T212 L213 S443W172-H209 AromaticContact CD1-CD2 3.52Å; W172-H209 AromaticContact CG-CD2 3.62Å; W172-H209 AromaticContact CG-NE2 3.9Å; H209-D211 VanDerWaalsContact C-N 3.32Å; H209-D211 PolarHBondContact O-N 3.47Å; H209-T212 VanDerWaalsContact CB-OG1 3.32Å; H209-T212 WeakPolarHBondContact CB-OG1 3.44Å; H209-T212 WeakPolarHBondContact O-CB 3.32Å; H209-T212 PolarHBondContact O-N 2.97Å; H209-T212 VanDerWaalsContact O-N 3.14Å; H209-L213 WeakPolarHBondContact O-CG 3.17Å; H209-L213 PolarHBondContact O-N 3.25Å; H209-S443 PolarHBondContact NE2-OG 3.01Å
210N95.2Very high91.8Very high11 Ų1125.5 Ų25.56%0.05914%0.137CC..Hα-helixtrans-57.8-42.3176.6-79.9-12.4000112.1I171 W172 F174 E178 T212 L213 H214 L235I171-N210 WeakPolarHBondContact CG2-OD1 3.34Å; W172-N210 WeakPolarHBondContact O-CB 3.3Å; W172-N210 PolarHBondContact O-N 2.67Å; W172-N210 VanDerWaalsContact O-N 3.09Å; F174-N210 HydrophobicContact CD1-CB 3.77Å; F174-N210 HydrophobicContact CD2-CB 3.98Å; F174-N210 HydrophobicContact CE1-CB 3.69Å; F174-N210 WeakPolarHBondContact CE1-O 3.27Å; F174-N210 HydrophobicContact CE2-CB 3.89Å; F174-N210 HydrophobicContact CG-CB 3.91Å; F174-N210 HydrophobicContact CZ-CB 3.74Å; E178-N210 PolarHBondContact OE1-ND2 3.06Å; N210-T212 VanDerWaalsContact C-N 3.31Å; N210-T212 PolarHBondContact O-N 3.47Å; N210-L213 PolarHBondContact O-N 3.27Å; N210-H214 WeakPolarHBondContact O-CB 3.28Å; N210-H214 PolarHBondContact O-N 2.89Å; N210-L235 HydrophobicContact CB-CD2 4.47Å
211D93.2Very high91.6Very high29 Ų2919.2 Ų19.216%0.15510%0.103CC..Hα-helixtrans-57.7-45.1175.6-65-81.3000111.7F174 T175 H209 S215 S436F174-D211 WeakPolarHBondContact CA-OD2 3.35Å; F174-D211 HydrophobicContact CD1-CB 4.46Å; T175-D211 WeakPolarHBondContact CB-OD2 3.35Å; T175-D211 PolarHBondContact N-OD2 3.4Å; T175-D211 PolarHBondContact OG1-OD2 2.59Å; H209-D211 VanDerWaalsContact C-N 3.32Å; H209-D211 PolarHBondContact O-N 3.47Å; D211-S215 VanDerWaalsContact O-CB 3.28Å; D211-S215 WeakPolarHBondContact O-CB 3.32Å; D211-S215 PolarHBondContact O-N 2.93Å; D211-S436 WeakPolarHBondContact CB-O 3.41Å
212T91.4Very high91.4Very high17 Ų1721.1 Ų21.110%0.10411%0.111CC..Hα-helixtrans-65.3-48.9-179.9-58.20000111.8H209 N210 H214 S215 I216 A317 S436 G438H209-T212 VanDerWaalsContact CB-OG1 3.32Å; H209-T212 WeakPolarHBondContact CB-OG1 3.44Å; H209-T212 WeakPolarHBondContact O-CB 3.32Å; H209-T212 PolarHBondContact O-N 2.97Å; H209-T212 VanDerWaalsContact O-N 3.14Å; N210-T212 VanDerWaalsContact C-N 3.31Å; N210-T212 PolarHBondContact O-N 3.47Å; T212-H214 VanDerWaalsContact C-N 3.35Å; T212-S215 WeakPolarHBondContact O-CB 3.33Å; T212-S215 PolarHBondContact O-N 3.29Å; T212-I216 HydrophobicContact CG2-CD1 4.43Å; T212-I216 WeakPolarHBondContact O-CG1 3.42Å; T212-I216 PolarHBondContact O-N 2.95Å; T212-A317 HydrophobicContact CG2-CB 2.98Å; T212-S436 PolarHBondContact OG1-O 2.89Å; T212-G438 PolarHBondContact OG1-N 3.04Å
213L93.8Very high90.8Very high6 Ų625 Ų253%0.03114%0.143CC..Hα-helixtrans-63.3-42.1177.9-65.9172.8000111.3H208 H209 N210 I216 C217 L235 L238 L239H208-L213 HydrophobicContact CB-CD1 4.18Å; H209-L213 WeakPolarHBondContact O-CG 3.17Å; H209-L213 PolarHBondContact O-N 3.25Å; N210-L213 PolarHBondContact O-N 3.27Å; L213-I216 PolarHBondContact O-N 3.44Å; L213-C217 PolarHBondContact O-N 2.82Å; L213-C217 PolarHBondContact O-SG 3.41Å; L213-L235 HydrophobicContact CB-CB 4.34Å; L213-L235 HydrophobicContact CB-CD2 4.33Å; L213-L235 HydrophobicContact CB-CG 3.85Å; L213-L238 HydrophobicContact CB-CD2 4.32Å; L213-L238 HydrophobicContact CD2-CB 4.48Å; L213-L238 HydrophobicContact CD2-CD2 3.62Å; L213-L238 HydrophobicContact CD2-CG 3.79Å; L213-L239 HydrophobicContact CD1-CB 4.2Å; L213-L239 HydrophobicContact CD1-CD1 4.15Å
214H93Very high90.1Very high70 Ų7025.3 Ų25.332%0.32415%0.15SC..Hα-helixtrans-64.1-41.1175.7-177.4-80.3000111.8F174 N210 T212 C217 S218 L235F174-H214 HydrophobicContact CE1-CB 3.77Å; F174-H214 HydrophobicContact CZ-CB 4.14Å; N210-H214 WeakPolarHBondContact O-CB 3.28Å; N210-H214 PolarHBondContact O-N 2.89Å; T212-H214 VanDerWaalsContact C-N 3.35Å; H214-C217 PolarHBondContact O-N 2.93Å; H214-S218 VanDerWaalsContact O-CB 3.31Å; H214-S218 WeakPolarHBondContact O-CB 3.34Å; H214-S218 PolarHBondContact O-N 3.41Å; H214-S218 PolarHBondContact O-OG 2.85Å; H214-L235 HydrophobicContact CB-CD1 4.3Å; H214-L235 HydrophobicContact CB-CD2 4.32Å
215S90.5Very high89.5Confident31 Ų3129 Ų2922%0.21717%0.169CC..Hα-helixtrans-60.5-44.6174.9-175.30000111.5D211 T212 S218 N219D211-S215 VanDerWaalsContact O-CB 3.28Å; D211-S215 WeakPolarHBondContact O-CB 3.32Å; D211-S215 PolarHBondContact O-N 2.93Å; T212-S215 WeakPolarHBondContact O-CB 3.33Å; T212-S215 PolarHBondContact O-N 3.29Å; S215-S218 WeakPolarHBondContact CA-OG 3.31Å; S215-S218 PolarHBondContact O-OG 2.87Å; S215-S218 VanDerWaalsContact O-OG 3.05Å; S215-N219 WeakPolarHBondContact O-CB 3.33Å; S215-N219 VanDerWaalsContact O-CG 3.26Å; S215-N219 PolarHBondContact O-N 3.19Å; S215-N219 VanDerWaalsContact O-N 3.09Å; S215-N219 PolarHBondContact O-ND2 3.47Å; S215-N219 PolarHBondContact OG-ND2 3.02Å
216I89.6Confident88.9Confident15 Ų1533.9 Ų33.98%0.07720%0.201CC..Hα-helixtrans-61.4-49.2175.4-64.4161.7000110.6T212 L213 R220 L238 Y288 A317 V318T212-I216 HydrophobicContact CG2-CD1 4.43Å; T212-I216 WeakPolarHBondContact O-CG1 3.42Å; T212-I216 PolarHBondContact O-N 2.95Å; L213-I216 PolarHBondContact O-N 3.44Å; I216-R220 WeakPolarHBondContact O-CB 3.48Å; I216-R220 WeakPolarHBondContact O-CG 3.32Å; I216-R220 PolarHBondContact O-N 3Å; I216-L238 HydrophobicContact CB-CD2 3.68Å; I216-L238 HydrophobicContact CD1-CD2 3.86Å; I216-L238 HydrophobicContact CG1-CD2 4.39Å; I216-L238 HydrophobicContact CG2-CD1 4.41Å; I216-L238 HydrophobicContact CG2-CD2 3.58Å; I216-Y288 HydrophobicContact CG2-CD1 3.82Å; I216-Y288 HydrophobicContact CG2-CE1 4.45Å; I216-Y288 HydrophobicContact CG2-CG 4.46Å; I216-A317 HydrophobicContact CD1-CB 4.06Å; I216-A317 WeakPolarHBondContact CD1-O 3.34Å; I216-A317 HydrophobicContact CG1-CB 4.41Å; I216-A317 WeakPolarHBondContact CG1-O 3.34Å; I216-V318 HydrophobicContact CG1-CG2 3.76Å
217C91Very high88.3Confident0 Ų040.8 Ų40.80%024%0.238CC..Hα-helixtrans-64.1-45.5-177.9-65.80000111.8L213 H214 R220 L221 I230 H234L213-C217 PolarHBondContact O-N 2.82Å; L213-C217 PolarHBondContact O-SG 3.41Å; H214-C217 PolarHBondContact O-N 2.93Å; C217-R220 PolarHBondContact O-N 2.85Å; C217-L221 HydrophobicContact CB-CD1 4.22Å; C217-L221 WeakPolarHBondContact O-CB 3.24Å; C217-L221 VanDerWaalsContact O-CG 3.3Å; C217-L221 WeakPolarHBondContact O-CG 3.29Å; C217-L221 PolarHBondContact O-N 3.2Å; C217-I230 HydrophobicContact CB-CD1 4.3Å; C217-I230 HydrophobicContact CB-CG2 3.72Å; C217-H234 HydrophobicContact CB-CB 4.45Å
218S89.6Confident87.8Confident22 Ų2241.9 Ų41.915%0.15425%0.246CC..Hα-helixtrans-62.5-46.3179.456.30000112.2H214 S215 R220 L222H214-S218 VanDerWaalsContact O-CB 3.31Å; H214-S218 WeakPolarHBondContact O-CB 3.34Å; H214-S218 PolarHBondContact O-N 3.41Å; H214-S218 PolarHBondContact O-OG 2.85Å; S215-S218 WeakPolarHBondContact CA-OG 3.31Å; S215-S218 PolarHBondContact O-OG 2.87Å; S215-S218 VanDerWaalsContact O-OG 3.05Å; S218-R220 VanDerWaalsContact C-N 3.3Å; S218-R220 PolarHBondContact O-N 3.42Å; S218-L222 WeakPolarHBondContact O-CB 3.24Å; S218-L222 WeakPolarHBondContact O-CD1 3.35Å; S218-L222 WeakPolarHBondContact O-CG 3.49Å; S218-L222 PolarHBondContact O-N 3.2Å
219N86Confident87.3Confident50 Ų5050 Ų5027%0.26728%0.284SS..Hα-helixtrans-64.9-34.2-179.7-66.7-43.4000112.6S215 A223 V318S215-N219 WeakPolarHBondContact O-CB 3.33Å; S215-N219 VanDerWaalsContact O-CG 3.26Å; S215-N219 PolarHBondContact O-N 3.19Å; S215-N219 VanDerWaalsContact O-N 3.09Å; S215-N219 PolarHBondContact O-ND2 3.47Å; S215-N219 PolarHBondContact OG-ND2 3.02Å; N219-A223 WeakPolarHBondContact O-CB 3.45Å; N219-V318 HydrophobicContact CB-CG1 4.31Å
220R82.9Confident87.1Confident40 Ų4051.2 Ų51.215%0.15129%0.29CS..Hα-helixtrans-92.9-42.4-174.1-68.4-71.2-177.4-131.11.5114I216 C217 S218 Y288 E319 D320I216-R220 WeakPolarHBondContact O-CB 3.48Å; I216-R220 WeakPolarHBondContact O-CG 3.32Å; I216-R220 PolarHBondContact O-N 3Å; C217-R220 PolarHBondContact O-N 2.85Å; S218-R220 VanDerWaalsContact C-N 3.3Å; S218-R220 PolarHBondContact O-N 3.42Å; R220-Y288 VanDerWaalsContact CD-O 3.25Å; R220-Y288 WeakPolarHBondContact CD-O 3.47Å; R220-Y288 WeakPolarHBondContact CG-O 3.47Å; R220-E319 IonicContact CZ-OE2 3.59Å; R220-E319 IonicContact NH2-OE2 2.63Å; R220-E319 PolarHBondContact NH2-OE2 3.19Å; R220-D320 IonicContact CZ-OD1 3.71Å; R220-D320 IonicContact CZ-OD2 3.74Å; R220-D320 VanDerWaalsContact CZ-OD2 3.32Å; R220-D320 IonicContact NH1-OD1 3.77Å; R220-D320 PolarHBondContact NH1-OD1 3.28Å; R220-D320 IonicContact NH1-OD2 2.76Å; R220-D320 PolarHBondContact NH1-OD2 2.91Å; R220-D320 IonicContact NH2-OD1 2.76Å; R220-D320 PolarHBondContact NH2-OD1 3.25Å; R220-D320 IonicContact NH2-OD2 3.97Å
221L81.4Confident87Confident20 Ų2052.2 Ų52.211%0.10530%0.303CS..Hα-helixtrans-79.2-38.6-177.1-56.8-176.1000111.1C217 A223 S224 D225 I230 H234 P290C217-L221 HydrophobicContact CB-CD1 4.22Å; C217-L221 WeakPolarHBondContact O-CB 3.24Å; C217-L221 VanDerWaalsContact O-CG 3.3Å; C217-L221 WeakPolarHBondContact O-CG 3.29Å; C217-L221 PolarHBondContact O-N 3.2Å; L221-A223 VanDerWaalsContact C-N 3.26Å; L221-A223 PolarHBondContact O-N 2.61Å; L221-S224 PolarHBondContact O-N 2.86Å; L221-S224 VanDerWaalsContact O-N 3.13Å; L221-D225 PolarHBondContact O-N 2.87Å; L221-I230 HydrophobicContact CB-CD1 3.86Å; L221-I230 HydrophobicContact CD1-CD1 3.92Å; L221-I230 HydrophobicContact CG-CD1 4.38Å; L221-H234 HydrophobicContact CD1-CB 4.01Å; L221-H234 VanDerWaalsContact CD1-CD2 3.42Å; L221-H234 WeakPolarHBondContact CD1-CD2 3.4Å; L221-P290 HydrophobicContact CD2-CB 4.11Å; L221-P290 HydrophobicContact CD2-CG 3.7Å
222L80.6Confident87Confident65 Ų6554.8 Ų54.834%0.3432%0.315SS..Hα-helixtrans-69.8-24.6176.6-59.1173.4000113S218 S224 D225 P226 C228S218-L222 WeakPolarHBondContact O-CB 3.24Å; S218-L222 WeakPolarHBondContact O-CD1 3.35Å; S218-L222 WeakPolarHBondContact O-CG 3.49Å; S218-L222 PolarHBondContact O-N 3.2Å; L222-S224 PolarHBondContact O-N 3.18Å; L222-D225 WeakPolarHBondContact CA-O 3.3Å; L222-D225 CarbonylContact O-C 3.49Å; L222-P226 WeakPolarHBondContact O-CA 3.31Å; L222-C228 HydrophobicContact CD2-CB 4.34Å; L222-C228 WeakPolarHBondContact CD2-O 3.41Å
223A79.9Confident87.1Confident82 Ų8260 Ų6068%0.67834%0.342SS*.Hα-helixtrans-65.6-29.8172.700000112.2N219 L221N219-A223 WeakPolarHBondContact O-CB 3.45Å; L221-A223 VanDerWaalsContact C-N 3.26Å; L221-A223 PolarHBondContact O-N 2.61Å
224S79.8Confident87.2Confident57 Ų5762.5 Ų62.540%0.39935%0.354SS..Hα-helixtrans-91.6-42.7175.8-69.40000112.8L221 L222 P290 N293L221-S224 PolarHBondContact O-N 2.86Å; L221-S224 VanDerWaalsContact O-N 3.13Å; L222-S224 PolarHBondContact O-N 3.18Å; S224-P290 WeakPolarHBondContact OG-CG 3.3Å; S224-N293 PolarHBondContact OG-ND2 2.78Å
225D81.6Confident87.3Confident78 Ų7859.3 Ų59.342%0.41734%0.339SS..  trans-132.499.4175.4177.314.3000110.8L221 L222 N227 C228L221-D225 PolarHBondContact O-N 2.87Å; L222-D225 WeakPolarHBondContact CA-O 3.3Å; L222-D225 CarbonylContact O-C 3.49Å; D225-N227 PolarHBondContact O-N 3.26Å; D225-N227 VanDerWaalsContact O-N 3.1Å; D225-N227 PolarHBondContact OD1-N 2.87Å; D225-C228 HydrophobicContact CB-CB 4.02Å; D225-C228 WeakPolarHBondContact O-CB 3.49Å; D225-C228 PolarHBondContact O-N 3.04Å
226P83.2Confident87.6Confident102 Ų10258.5 Ų58.566%0.66233%0.332SS*.THydrogen-bonded Turntrans-60.1-20.1179.9-25.334.5000114.9L222L222-P226 WeakPolarHBondContact O-CA 3.31Å
227N85.2Confident87.9Confident145 Ų14558.9 Ų58.978%0.77534%0.338SS*.THydrogen-bonded Turntrans-92.7-3.8179.8-63.5-46.7000112.9D225 Q229D225-N227 PolarHBondContact O-N 3.26Å; D225-N227 VanDerWaalsContact O-N 3.1Å; D225-N227 PolarHBondContact OD1-N 2.87Å; N227-Q229 PolarHBondContact O-N 3.43Å
228C84.4Confident88.1Confident30 Ų3058.9 Ų58.920%0.20334%0.338CS..  trans-64.6121.3-178.5-176.80000111L222 D225L222-C228 HydrophobicContact CD2-CB 4.34Å; L222-C228 WeakPolarHBondContact CD2-O 3.41Å; D225-C228 HydrophobicContact CB-CB 4.02Å; D225-C228 WeakPolarHBondContact O-CB 3.49Å; D225-C228 PolarHBondContact O-N 3.04Å
229Q87.3Confident88.4Confident173 Ų17358 Ų5881%0.80833%0.331SS*.  trans-83.7118.1172.2-68.2-175.83.400110.2N227 G231 H234N227-Q229 PolarHBondContact O-N 3.43Å; Q229-G231 PolarHBondContact O-N 3.33Å; Q229-H234 PolarHBondContact O-CE1 3.5Å
230I90.2Very high88.9Confident32 Ų3255.6 Ų55.616%0.16432%0.318CS..  trans-73.390.4178.9-51.5-59.8000109.9C217 L221 H234 L235C217-I230 HydrophobicContact CB-CD1 4.3Å; C217-I230 HydrophobicContact CB-CG2 3.72Å; L221-I230 HydrophobicContact CB-CD1 3.86Å; L221-I230 HydrophobicContact CD1-CD1 3.92Å; L221-I230 HydrophobicContact CG-CD1 4.38Å; I230-H234 HydrophobicContact CG2-CB 4.43Å; I230-L235 HydrophobicContact CG2-CD1 3.71Å
231G92.3Very high89.6Confident32 Ų3254 Ų5433%0.3331%0.313SS..  trans-83.4171.6170.300000114.1Q229 D233 H234Q229-G231 PolarHBondContact O-N 3.33Å; G231-D233 PolarHBondContact O-N 3.16Å; G231-H234 PolarHBondContact N-ND1 2.86Å; G231-H234 PolarHBondContact O-N 2.88Å; G231-H234 VanDerWaalsContact O-N 3.13Å; G231-H234 PolarHBondContact O-ND1 3.44Å
232M93.2Very high90.3Very high84 Ų8453.3 Ų53.341%0.41431%0.309SS..Hα-helixtrans-58.4-28.4177-69-64.4-17600113.3F174 H234 L235 N236F174-M232 HydrophobicContact CE2-CE 3.78Å; M232-H234 VanDerWaalsContact C-N 3.25Å; M232-H234 PolarHBondContact O-N 3.4Å; M232-L235 PolarHBondContact O-N 2.87Å; M232-L235 HydrophobicContact SD-CD2 4.14Å; M232-N236 WeakPolarHBondContact O-CB 3.32Å; M232-N236 PolarHBondContact O-N 2.94Å; M232-N236 PolarHBondContact O-ND2 3.39Å
233D94.1Very high91.1Very high125 Ų12550.3 Ų50.367%0.66829%0.293SS*.Hα-helixtrans-61-34.7177.6-63.8-33.3000112.5G231 A237G231-D233 PolarHBondContact O-N 3.16Å; D233-A237 VanDerWaalsContact O-CB 3.28Å; D233-A237 WeakPolarHBondContact O-CB 3.4Å; D233-A237 PolarHBondContact O-N 3.27Å
234H94.7Very high91.9Very high59 Ų5946.5 Ų46.527%0.27326%0.262SS..Hα-helixtrans-70.2-43.4176.1-57.9106.4000111.4C217 L221 Q229 I230 G231 M232 A237 L238C217-H234 HydrophobicContact CB-CB 4.45Å; L221-H234 HydrophobicContact CD1-CB 4.01Å; L221-H234 VanDerWaalsContact CD1-CD2 3.42Å; L221-H234 WeakPolarHBondContact CD1-CD2 3.4Å; Q229-H234 PolarHBondContact O-CE1 3.5Å; I230-H234 HydrophobicContact CG2-CB 4.43Å; G231-H234 PolarHBondContact N-ND1 2.86Å; G231-H234 PolarHBondContact O-N 2.88Å; G231-H234 VanDerWaalsContact O-N 3.13Å; G231-H234 PolarHBondContact O-ND1 3.44Å; M232-H234 VanDerWaalsContact C-N 3.25Å; M232-H234 PolarHBondContact O-N 3.4Å; H234-A237 PolarHBondContact O-N 3.23Å; H234-L238 PolarHBondContact O-N 2.96Å
235L95.7Very high92.7Very high4 Ų443.8 Ų43.82%0.02124%0.243CC..Hα-helixtrans-61.7-47.2176.4-83.262.3000110.4F174 N210 L213 H214 I230 M232 A237 L238 L239F174-L235 HydrophobicContact CZ-CD2 3.98Å; N210-L235 HydrophobicContact CB-CD2 4.47Å; L213-L235 HydrophobicContact CB-CB 4.34Å; L213-L235 HydrophobicContact CB-CD2 4.33Å; L213-L235 HydrophobicContact CB-CG 3.85Å; H214-L235 HydrophobicContact CB-CD1 4.3Å; H214-L235 HydrophobicContact CB-CD2 4.32Å; I230-L235 HydrophobicContact CG2-CD1 3.71Å; M232-L235 PolarHBondContact O-N 2.87Å; M232-L235 HydrophobicContact SD-CD2 4.14Å; L235-A237 VanDerWaalsContact C-N 3.33Å; L235-A237 PolarHBondContact O-N 2.91Å; L235-L238 PolarHBondContact O-N 2.83Å; L235-L239 VanDerWaalsContact O-CB 3.32Å; L235-L239 WeakPolarHBondContact O-CB 3.39Å; L235-L239 PolarHBondContact O-N 2.93Å
236N97Very high93.3Very high13 Ų1340.5 Ų40.57%0.0723%0.225CC..Hα-helixtrans-60.7-42.4176.4-68.2-16.2000110.9I15 K18 M232 L238 L239 T240I15-N236 HydrophobicContact CG1-CB 4.44Å; I15-N236 VanDerWaalsContact CG1-OD1 3.23Å; I15-N236 WeakPolarHBondContact CG1-OD1 3.47Å; K18-N236 HydrophobicContact CB-CB 4.43Å; K18-N236 HydrophobicContact CG-CB 4.31Å; M232-N236 WeakPolarHBondContact O-CB 3.32Å; M232-N236 PolarHBondContact O-N 2.94Å; M232-N236 PolarHBondContact O-ND2 3.39Å; N236-L238 PolarHBondContact O-N 3.18Å; N236-L239 PolarHBondContact O-N 3.49Å; N236-T240 WeakPolarHBondContact O-CB 3.39Å; N236-T240 WeakPolarHBondContact O-CG2 3.49Å; N236-T240 PolarHBondContact O-N 3.3Å; N236-T240 PolarHBondContact O-OG1 3.27Å; N236-T240 VanDerWaalsContact O-OG1 3.06Å
237A95.7Very high93.9Very high24 Ų2435.7 Ų35.720%0.19819%0.194CC..Hα-helixtrans-63.3-39.317700000113.1D233 H234 L235 T240 H241D233-A237 VanDerWaalsContact O-CB 3.28Å; D233-A237 WeakPolarHBondContact O-CB 3.4Å; D233-A237 PolarHBondContact O-N 3.27Å; H234-A237 PolarHBondContact O-N 3.23Å; L235-A237 VanDerWaalsContact C-N 3.33Å; L235-A237 PolarHBondContact O-N 2.91Å; A237-T240 PolarHBondContact O-OG1 2.93Å; A237-H241 WeakPolarHBondContact O-CB 3.35Å; A237-H241 PolarHBondContact O-N 3.04Å
238L95.5Very high94.3Very high0 Ų028.8 Ų28.80%016%0.157CC..Hα-helixtrans-66.9-49.1174.9172.657.9000111.3L213 I216 H234 L235 N236 T240 H241 Q242 Y288L213-L238 HydrophobicContact CB-CD2 4.32Å; L213-L238 HydrophobicContact CD2-CB 4.48Å; L213-L238 HydrophobicContact CD2-CD2 3.62Å; L213-L238 HydrophobicContact CD2-CG 3.79Å; I216-L238 HydrophobicContact CB-CD2 3.68Å; I216-L238 HydrophobicContact CD1-CD2 3.86Å; I216-L238 HydrophobicContact CG1-CD2 4.39Å; I216-L238 HydrophobicContact CG2-CD1 4.41Å; I216-L238 HydrophobicContact CG2-CD2 3.58Å; H234-L238 PolarHBondContact O-N 2.96Å; L235-L238 PolarHBondContact O-N 2.83Å; N236-L238 PolarHBondContact O-N 3.18Å; L238-T240 PolarHBondContact O-N 3.02Å; L238-H241 WeakPolarHBondContact O-CB 3.26Å; L238-H241 PolarHBondContact O-N 2.68Å; L238-Q242 HydrophobicContact CD1-CG 4.25Å; L238-Q242 WeakPolarHBondContact O-CG 3.13Å; L238-Q242 PolarHBondContact O-N 2.96Å; L238-Y288 HydrophobicContact CB-CE1 4.26Å; L238-Y288 HydrophobicContact CB-CE2 4.11Å; L238-Y288 HydrophobicContact CD1-CD1 3.93Å; L238-Y288 HydrophobicContact CD1-CD2 3.46Å; L238-Y288 VanDerWaalsContact CD1-CD2 3.46Å; L238-Y288 HydrophobicContact CD1-CE1 3.92Å; L238-Y288 HydrophobicContact CD1-CE2 3.44Å; L238-Y288 VanDerWaalsContact CD1-CE2 3.44Å; L238-Y288 HydrophobicContact CD1-CG 3.7Å; L238-Y288 HydrophobicContact CD2-CE1 4.42Å; L238-Y288 HydrophobicContact CG-CE1 4.42Å; L238-Y288 HydrophobicContact CG-CE2 4.35Å
239L96.3Very high94.8Very high2 Ų227.8 Ų27.81%0.0115%0.15CC..Hα-helixtrans-56.6-49.8179.1-178.4163.3000111I15 I171 H208 L213 L235 N236 H241 Q242 L243I15-L239 HydrophobicContact CD1-CD1 3.84Å; I15-L239 HydrophobicContact CG1-CD1 4.46Å; I15-L239 HydrophobicContact CG2-CD2 3.65Å; I171-L239 HydrophobicContact CD1-CD1 4.19Å; I171-L239 HydrophobicContact CG1-CD1 4.07Å; H208-L239 HydrophobicContact CB-CD1 3.69Å; H208-L239 HydrophobicContact CB-CG 4.36Å; L213-L239 HydrophobicContact CD1-CB 4.2Å; L213-L239 HydrophobicContact CD1-CD1 4.15Å; L235-L239 VanDerWaalsContact O-CB 3.32Å; L235-L239 WeakPolarHBondContact O-CB 3.39Å; L235-L239 PolarHBondContact O-N 2.93Å; N236-L239 PolarHBondContact O-N 3.49Å; L239-H241 VanDerWaalsContact C-N 3.33Å; L239-H241 PolarHBondContact O-N 3.02Å; L239-Q242 WeakPolarHBondContact O-CB 3.3Å; L239-Q242 PolarHBondContact O-N 3.37Å; L239-L243 PolarHBondContact O-N 3.26Å
240T97Very high94.9Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-70.8-31.5-17963.70000112.2I15 K18 F19 T22 N236 A237 L238 L243 A244I15-T240 HydrophobicContact CG2-CG2 4.21Å; I15-T240 WeakPolarHBondContact O-CG2 3.07Å; K18-T240 HydrophobicContact CB-CG2 3.97Å; K18-T240 HydrophobicContact CG-CG2 3.94Å; F19-T240 HydrophobicContact CB-CG2 3.81Å; T22-T240 PolarHBondContact OG1-OG1 3.44Å; N236-T240 WeakPolarHBondContact O-CB 3.39Å; N236-T240 WeakPolarHBondContact O-CG2 3.49Å; N236-T240 PolarHBondContact O-N 3.3Å; N236-T240 PolarHBondContact O-OG1 3.27Å; N236-T240 VanDerWaalsContact O-OG1 3.06Å; A237-T240 PolarHBondContact O-OG1 2.93Å; L238-T240 PolarHBondContact O-N 3.02Å; T240-L243 PolarHBondContact O-N 3.43Å; T240-A244 WeakPolarHBondContact O-CB 3.43Å; T240-A244 PolarHBondContact O-N 3.02Å
241H96.4Very high94.5Very high8 Ų820.2 Ų20.24%0.03712%0.115CC..Hα-helixtrans-61.8-44.9171.6-179.874.7000111.4A237 L238 L239 G245 Y288 F399 Y402 F407A237-H241 WeakPolarHBondContact O-CB 3.35Å; A237-H241 PolarHBondContact O-N 3.04Å; L238-H241 WeakPolarHBondContact O-CB 3.26Å; L238-H241 PolarHBondContact O-N 2.68Å; L239-H241 VanDerWaalsContact C-N 3.33Å; L239-H241 PolarHBondContact O-N 3.02Å; H241-G245 PolarHBondContact O-N 3.15Å; H241-Y288 AromaticContact CD2-CD2 3.96Å; H241-F399 AromaticContact CE1-CD1 3.53Å; H241-F399 AromaticContact CE1-CE1 3.52Å; H241-F399 AromaticContact ND1-CD1 3.81Å; H241-F399 AromaticContact ND1-CE1 3.3Å; H241-F399 VanDerWaalsContact ND1-CE1 3.3Å; H241-F399 WeakPolarHBondContact ND1-CE1 3.22Å; H241-F399 WeakPolarHBondContact O-CE1 3.07Å; H241-Y402 AromaticContact CE1-CE2 3.68Å; H241-Y402 AromaticContact NE2-CE2 3.71Å; H241-F407 AromaticContact CD2-CE1 3.77Å; H241-F407 AromaticContact CE1-CZ 3.87Å; H241-F407 AromaticContact NE2-CE1 3.68Å; H241-F407 AromaticContact NE2-CZ 3.58Å; H241-F407 VanDerWaalsContact O-CE1 3.26Å; H241-F407 WeakPolarHBondContact O-CE1 3.31Å
242Q96.5Very high93.5Very high5 Ų519.9 Ų19.92%0.02311%0.106CC..Hα-helixtrans-60.9-48.9175.7-71.8174.3-13.300111.8L238 L239 I246 L283 C285L238-Q242 HydrophobicContact CD1-CG 4.25Å; L238-Q242 WeakPolarHBondContact O-CG 3.13Å; L238-Q242 PolarHBondContact O-N 2.96Å; L239-Q242 WeakPolarHBondContact O-CB 3.3Å; L239-Q242 PolarHBondContact O-N 3.37Å; Q242-I246 PolarHBondContact O-N 2.99Å; Q242-L283 HydrophobicContact CB-CB 4.04Å; Q242-L283 HydrophobicContact CB-CD1 4.15Å; Q242-C285 HydrophobicContact CG-CB 3.86Å; Q242-C285 VanDerWaalsContact CG-SG 3.53Å
243L97.5Very high92.1Very high2 Ų219.6 Ų19.61%0.0110%0.101CC..Hα-helixtrans-68.3-49.5-176.9-177.271.2000112.6F19 L136 Q169 I206 L239 T240 G245 I246 L247 L283F19-L243 HydrophobicContact CD2-CD2 3.69Å; F19-L243 HydrophobicContact CD2-CG 4.29Å; F19-L243 HydrophobicContact CE2-CB 4.39Å; F19-L243 HydrophobicContact CE2-CD2 3.62Å; F19-L243 HydrophobicContact CE2-CG 3.88Å; F19-L243 HydrophobicContact CG-CD2 4.44Å; F19-L243 HydrophobicContact CZ-CD2 4.33Å; L136-L243 HydrophobicContact CD1-CD2 4.45Å; L136-L243 HydrophobicContact CD2-CD2 3.94Å; Q169-L243 HydrophobicContact CG-CD2 4.41Å; I206-L243 HydrophobicContact CD1-CD1 3.77Å; L239-L243 PolarHBondContact O-N 3.26Å; T240-L243 PolarHBondContact O-N 3.43Å; L243-G245 VanDerWaalsContact C-N 3.3Å; L243-G245 PolarHBondContact O-N 3.46Å; L243-I246 PolarHBondContact O-N 3.43Å; L243-L247 HydrophobicContact CD1-CD1 3.79Å; L243-L247 HydrophobicContact CD1-CG 4.19Å; L243-L247 HydrophobicContact CD2-CD1 4.38Å; L243-L247 HydrophobicContact CG-CD1 3.87Å; L243-L247 HydrophobicContact CG-CG 4.39Å; L243-L247 PolarHBondContact O-N 2.87Å; L243-L283 HydrophobicContact CB-CD1 4.29Å; L243-L283 HydrophobicContact CD1-CD1 4.17Å
244A96.7Very high90.2Very high1 Ų118.8 Ų18.81%0.00810%0.1CC..Hα-helixtrans-65-36.5-179.800000111.1F19 T22 V23 T240 I246 L247 Q248 F399F19-A244 HydrophobicContact CD2-CB 4.22Å; F19-A244 HydrophobicContact CE2-CB 3.84Å; T22-A244 HydrophobicContact CG2-CB 3.92Å; V23-A244 HydrophobicContact CG2-CB 4.15Å; T240-A244 WeakPolarHBondContact O-CB 3.43Å; T240-A244 PolarHBondContact O-N 3.02Å; A244-I246 PolarHBondContact O-N 3.39Å; A244-I246 VanDerWaalsContact O-N 3.16Å; A244-L247 PolarHBondContact O-N 3.38Å; A244-Q248 WeakPolarHBondContact O-CB 3.21Å; A244-Q248 WeakPolarHBondContact O-CG 3.46Å; A244-Q248 PolarHBondContact O-N 3.04Å; A244-F399 HydrophobicContact CB-CE2 4.28Å; A244-F399 HydrophobicContact CB-CZ 3.72Å
245G95.4Very high88.2Confident0 Ų021 Ų210%011%0.111CC..Hα-helixtrans-56-33.5174.900000113.3H241 L243 V350 R352H241-G245 PolarHBondContact O-N 3.15Å; L243-G245 VanDerWaalsContact C-N 3.3Å; L243-G245 PolarHBondContact O-N 3.46Å; G245-V350 WeakPolarHBondContact O-CG1 3.25Å; G245-R352 PolarHBondContact O-NE 3.22Å; G245-R352 PolarHBondContact O-NH2 2.91Å
246I95.2Very high85.8Confident10 Ų1027.5 Ų27.55%0.05115%0.153CC..Hα-helixtrans-81.7-50175.8-65.9171.5000111.4Q242 L243 A244 Q248 Y268 L283 L348 V350 F407 A409Q242-I246 PolarHBondContact O-N 2.99Å; L243-I246 PolarHBondContact O-N 3.43Å; A244-I246 PolarHBondContact O-N 3.39Å; A244-I246 VanDerWaalsContact O-N 3.16Å; I246-Q248 VanDerWaalsContact C-N 3.31Å; I246-Q248 PolarHBondContact O-N 3.14Å; I246-Y268 HydrophobicContact CD1-CE2 4.44Å; I246-Y268 HydrophobicContact CG2-CD2 3.7Å; I246-Y268 HydrophobicContact CG2-CE2 4.01Å; I246-L283 HydrophobicContact CD1-CD1 3.93Å; I246-L283 HydrophobicContact CD1-CD2 3.4Å; I246-L283 HydrophobicContact CD1-CG 4.15Å; I246-L348 HydrophobicContact CG2-CD2 4.19Å; I246-V350 HydrophobicContact CG1-CG2 4.43Å; I246-V350 HydrophobicContact CG2-CG2 4.46Å; I246-F407 HydrophobicContact CD1-CB 4.44Å; I246-F407 HydrophobicContact CG1-CB 3.74Å; I246-F407 HydrophobicContact CG1-CG 4.49Å; I246-A409 HydrophobicContact CD1-CB 4.01Å
247L95.7Very high83.3Confident1 Ų133.6 Ų33.61%0.00518%0.181CC..Hα-helixtrans-79.6-5.5-171.5-65.8-177.1000114.4F19 F50 L136 L243 A244 R264F19-L247 HydrophobicContact CZ-CD1 4.29Å; F50-L247 HydrophobicContact CZ-CB 4.09Å; L136-L247 HydrophobicContact CD2-CD1 4.14Å; L243-L247 HydrophobicContact CD1-CD1 3.79Å; L243-L247 HydrophobicContact CD1-CG 4.19Å; L243-L247 HydrophobicContact CD2-CD1 4.38Å; L243-L247 HydrophobicContact CG-CD1 3.87Å; L243-L247 HydrophobicContact CG-CG 4.39Å; L243-L247 PolarHBondContact O-N 2.87Å; A244-L247 PolarHBondContact O-N 3.38Å; L247-R264 VanDerWaalsContact O-CD 3.29Å; L247-R264 WeakPolarHBondContact O-CD 3.14Å; L247-R264 PolarHBondContact O-NH1 2.97Å
248Q94.4Very high81Confident0 Ų040 Ų400%021%0.207CC..SBendtrans-71.6159.6173.5-79.3-66.135.900113.2D26 Y42 S46 A244 I246 T250 R352 F399D26-Q248 PolarHBondContact OD2-NE2 3.24Å; Y42-Q248 HydrophobicContact CE2-CB 4.24Å; Y42-Q248 WeakPolarHBondContact OH-CB 3.09Å; Y42-Q248 VanDerWaalsContact OH-CG 3.29Å; Y42-Q248 WeakPolarHBondContact OH-CG 3.13Å; S46-Q248 VanDerWaalsContact OG-CD 3.27Å; S46-Q248 PolarHBondContact OG-NE2 3.48Å; S46-Q248 VanDerWaalsContact OG-NE2 3.16Å; S46-Q248 PolarHBondContact OG-OE1 2.98Å; A244-Q248 WeakPolarHBondContact O-CB 3.21Å; A244-Q248 WeakPolarHBondContact O-CG 3.46Å; A244-Q248 PolarHBondContact O-N 3.04Å; I246-Q248 VanDerWaalsContact C-N 3.31Å; I246-Q248 PolarHBondContact O-N 3.14Å; Q248-T250 PolarHBondContact O-N 3.39Å; Q248-R352 VanDerWaalsContact C-NH2 3.28Å; Q248-R352 PolarHBondContact O-NH2 3.29Å; Q248-F399 HydrophobicContact CG-CD2 4.37Å; Q248-F399 HydrophobicContact CG-CE2 3.91Å
249P93.2Very high78.7Confident9 Ų946.3 Ų46.36%0.05824%0.235CC..  trans-57.2127.8-176-2533.9000113.6Y42 D45 R352Y42-P249 HydrophobicContact CD2-CB 3.72Å; Y42-P249 HydrophobicContact CD2-CG 3.99Å; Y42-P249 HydrophobicContact CE2-CB 4.07Å; Y42-P249 HydrophobicContact CE2-CG 4.17Å; Y42-P249 VanDerWaalsContact CE2-O 3.29Å; Y42-P249 WeakPolarHBondContact CE2-O 3.45Å; Y42-P249 HydrophobicContact CG-CB 4.38Å; Y42-P249 HydrophobicContact CG-CG 4.33Å; D45-P249 HydrophobicContact CB-CG 4.08Å; P249-R352 PolarHBondContact O-NH1 2.71Å
250T90.3Very high77Confident8 Ų850.3 Ų50.35%0.04925%0.252CS..  trans-118.4158.6177.454.50000111.5Q248 V350 R352 R393Q248-T250 PolarHBondContact O-N 3.39Å; T250-V350 HydrophobicContact CG2-CG1 3.67Å; T250-R352 VanDerWaalsContact CG2-NH2 3.31Å; T250-R393 HydrophobicContact CG2-CB 4.01Å
251I82.2Confident75.5Confident37 Ų3751.5 Ų51.519%0.1926%0.258CS..BIsolated β-bridgetrans-93.7137.1167.6-52.2173.7000107.5Y253 G394I251-Y253 HydrophobicContact CG2-CD1 4.47Å; I251-Y253 HydrophobicContact CG2-CD2 4.29Å; I251-Y253 HydrophobicContact CG2-CE1 4.09Å; I251-Y253 HydrophobicContact CG2-CE2 3.89Å; I251-G394 PolarHBondContact N-O 3.02Å; I251-G394 PolarHBondContact O-N 2.94Å
252N70Confident74.6Confident25 Ų2556.2 Ų56.213%0.13428%0.278CS..  trans-122.3131.5166.1-170.84.3000108.6T254N252-T254 VanDerWaalsContact CG-OG1 3.31Å; N252-T254 PolarHBondContact ND2-OG1 3.47Å; N252-T254 PolarHBondContact OD1-N 3.48Å; N252-T254 VanDerWaalsContact OD1-N 3.14Å; N252-T254 PolarHBondContact OD1-OG1 3.33Å
253Y63.6Low74.2Confident78 Ų7860.6 Ų60.631%0.30630%0.298SS..  trans-102.6-1179.6-71.8-67.9000113.3I251 E255 V360 R361I251-Y253 HydrophobicContact CG2-CD1 4.47Å; I251-Y253 HydrophobicContact CG2-CD2 4.29Å; I251-Y253 HydrophobicContact CG2-CE1 4.09Å; I251-Y253 HydrophobicContact CG2-CE2 3.89Å; Y253-E255 PolarHBondContact O-N 3.01Å; Y253-V360 HydrophobicContact CD2-CB 4.23Å; Y253-V360 HydrophobicContact CD2-CG1 3.83Å; Y253-V360 HydrophobicContact CE2-CB 4.46Å; Y253-V360 HydrophobicContact CE2-CG1 4.37Å; Y253-R361 HydrophobicContact CD2-CB 4.04Å; Y253-R361 HydrophobicContact CE2-CB 4.22Å
254T55.8Low73.9Confident108 Ų10860.7 Ų60.766%0.66330%0.298SS*.SBendtrans-73.5-12.3-179.758.70000113.8N252N252-T254 VanDerWaalsContact CG-OG1 3.31Å; N252-T254 PolarHBondContact ND2-OG1 3.47Å; N252-T254 PolarHBondContact OD1-N 3.48Å; N252-T254 VanDerWaalsContact OD1-N 3.14Å; N252-T254 PolarHBondContact OD1-OG1 3.33Å
255E51.4Low73.8Confident107 Ų10760.7 Ų60.750%0.530%0.297SS..SBendtrans-106.5139.1179.4-65.9-173.4174.300111.6Y253 E257Y253-E255 PolarHBondContact O-N 3.01Å; E255-E257 PolarHBondContact O-N 3.39Å; E255-E257 VanDerWaalsContact O-N 3.15Å; E255-E257 VanDerWaalsContact O-O 3.05Å
256P46.5Very low73.6Confident139 Ų13961.6 Ų61.690%0.90330%0.303SS*.SBendtrans-69.1-12-166.423.5-32.7000115.7
257E44.9Very low73.4Confident141 Ų14162.2 Ų62.266%0.65931%0.308SS*.SBendtrans-114.9153.4166.3-65.7-172.5166.200107.6E255 F259E255-E257 PolarHBondContact O-N 3.39Å; E255-E257 VanDerWaalsContact O-N 3.15Å; E255-E257 VanDerWaalsContact O-O 3.05Å; E257-F259 PolarHBondContact O-N 3.3Å
258H46.1Very low73.3Confident160 Ų16062.3 Ų62.374%0.74131%0.308SS*.  trans-65.150.2178.4-71.870.2000112.6K260H258-K260 VanDerWaalsContact C-N 3.32Å; H258-K260 PolarHBondContact O-N 3.45Å
259F48.4Very low73.2Confident132 Ų13262.7 Ų62.758%0.57931%0.31SS*.  trans-65.895.7179.9-128.8-90.5000106.5E257 D261E257-F259 PolarHBondContact O-N 3.3Å; F259-D261 PolarHBondContact O-N 3.08Å; F259-D261 VanDerWaalsContact O-N 3.1Å
260K60.5Low73Confident86 Ų8667.6 Ų67.637%0.37434%0.336SS..  trans-53.8120.5164.7-66.9178.3-178.1173.50105.5D41 H258 K262D41-K260 VanDerWaalsContact CB-NZ 3.27Å; D41-K260 VanDerWaalsContact CG-NZ 3.33Å; D41-K260 IonicContact OD2-NZ 2.61Å; D41-K260 PolarHBondContact OD2-NZ 3.02Å; H258-K260 VanDerWaalsContact C-N 3.32Å; H258-K260 PolarHBondContact O-N 3.45Å; K260-K262 VanDerWaalsContact C-N 3.26Å; K260-K262 WeakPolarHBondContact O-CG 3.43Å; K260-K262 PolarHBondContact O-N 2.79Å
261D65.9Low72.9Confident24 Ų2468.6 Ų68.613%0.12834%0.341CS..  trans-63.694.3173.517815.4000107.7F259 K263 R264 S267 R393F259-D261 PolarHBondContact O-N 3.08Å; F259-D261 VanDerWaalsContact O-N 3.1Å; D261-K263 PolarHBondContact OD1-N 3.1Å; D261-R264 VanDerWaalsContact O-CG 3.27Å; D261-R264 WeakPolarHBondContact O-CG 3.47Å; D261-S267 VanDerWaalsContact CG-OG 3.3Å; D261-S267 PolarHBondContact OD1-OG 3.35Å; D261-S267 WeakPolarHBondContact OD2-CB 3.43Å; D261-S267 PolarHBondContact OD2-OG 2.99Å; D261-S267 VanDerWaalsContact OD2-OG 3.13Å; D261-R393 IonicContact OD2-CZ 2.64Å; D261-R393 IonicContact OD2-NH1 2.75Å; D261-R393 PolarHBondContact OD2-NH1 3.33Å
262K77.5Confident73.3Confident107 Ų10766.8 Ų66.847%0.46533%0.332SS..SBendtrans-81.4-9.4-179.6-70.4-177-178177.10111.7M1 K260M1-K262 VanDerWaalsContact CB-O 3.32Å; M1-K262 WeakPolarHBondContact CB-O 3.48Å; M1-K262 HydrophobicContact CG-CB 4.04Å; M1-K262 WeakPolarHBondContact CG-O 3.37Å; K260-K262 VanDerWaalsContact C-N 3.26Å; K260-K262 WeakPolarHBondContact O-CG 3.43Å; K260-K262 PolarHBondContact O-N 2.79Å
263K87.2Confident74.2Confident98 Ų9866.4 Ų66.443%0.42633%0.33SS..  trans-112.456.5-177.7-70.5-168.5174.6-170.40110.8M1 D133 D261 L265 T266 S267M1-K263 HydrophobicContact CG-CG 3.94Å; D133-K263 VanDerWaalsContact CG-C 3.48Å; D133-K263 VanDerWaalsContact CG-CA 3.4Å; D133-K263 VanDerWaalsContact OD1-C 3.23Å; D133-K263 VanDerWaalsContact OD1-CA 3.24Å; D133-K263 WeakPolarHBondContact OD1-CA 3.3Å; D133-K263 WeakPolarHBondContact OD1-CB 3.2Å; D133-K263 WeakPolarHBondContact OD2-CA 3.46Å; D261-K263 PolarHBondContact OD1-N 3.1Å; K263-L265 VanDerWaalsContact C-N 3.33Å; K263-L265 PolarHBondContact O-N 3.2Å; K263-T266 PolarHBondContact O-N 3.46Å; K263-S267 VanDerWaalsContact O-CB 3.25Å; K263-S267 WeakPolarHBondContact O-CB 3.24Å; K263-S267 PolarHBondContact O-N 2.98Å; K263-S267 PolarHBondContact O-OG 3.49Å
264R90.8Very high74.9Confident4 Ų464.3 Ų64.32%0.01533%0.333CS..Hα-helixtrans-61.9-38.1-169.5-67.6169-89.1168.1-19.4113D45 T49 D133 L247 D261 Y268D45-R264 PolarHBondContact O-NH2 2.97Å; D45-R264 IonicContact OD2-NH2 2.74Å; D45-R264 PolarHBondContact OD2-NH2 3.47Å; T49-R264 VanDerWaalsContact CB-NH2 3.33Å; T49-R264 PolarHBondContact OG1-NH2 2.58Å; D133-R264 PolarHBondContact OD2-N 2.82Å; L247-R264 VanDerWaalsContact O-CD 3.29Å; L247-R264 WeakPolarHBondContact O-CD 3.14Å; L247-R264 PolarHBondContact O-NH1 2.97Å; D261-R264 VanDerWaalsContact O-CG 3.27Å; D261-R264 WeakPolarHBondContact O-CG 3.47Å; R264-Y268 VanDerWaalsContact O-CB 3.29Å; R264-Y268 WeakPolarHBondContact O-CB 3.45Å; R264-Y268 PolarHBondContact O-N 3.26Å
265L94Very high76.2Confident0 Ų060.6 Ų60.60%031%0.308CS..Hα-helixtrans-70.8-46.9177.7-175.6157.2000110.3I3 D133 L136 C165 L167 K263 S267 Y268 L269I3-L265 HydrophobicContact CD1-CB 3.83Å; I3-L265 HydrophobicContact CD1-CD1 4.21Å; I3-L265 HydrophobicContact CG1-CB 4.23Å; I3-L265 HydrophobicContact CG1-CD1 4.24Å; I3-L265 HydrophobicContact CG2-CD1 3.84Å; D133-L265 PolarHBondContact OD2-N 3Å; L136-L265 HydrophobicContact CB-CD1 4.18Å; C165-L265 HydrophobicContact CB-CD2 3.95Å; L167-L265 HydrophobicContact CB-CD1 3.97Å; L167-L265 HydrophobicContact CB-CD2 3.99Å; L167-L265 HydrophobicContact CB-CG 3.9Å; L167-L265 HydrophobicContact CD2-CD1 4.39Å; L167-L265 HydrophobicContact CD2-CG 4.09Å; K263-L265 VanDerWaalsContact C-N 3.33Å; K263-L265 PolarHBondContact O-N 3.2Å; L265-S267 VanDerWaalsContact C-N 3.34Å; L265-S267 PolarHBondContact O-N 2.94Å; L265-Y268 WeakPolarHBondContact O-CB 3.46Å; L265-Y268 PolarHBondContact O-N 3.43Å; L265-L269 HydrophobicContact CD2-CD1 3.58Å; L265-L269 HydrophobicContact CD2-CG 4.46Å; L265-L269 WeakPolarHBondContact O-CG 3.22Å; L265-L269 PolarHBondContact O-N 2.88Å; L265-L269 VanDerWaalsContact O-N 3.1Å
266T92.5Very high77.8Confident20 Ų2058.2 Ų58.212%0.12330%0.302CS..Hα-helixtrans-58-48.9174.7-54.70000110.8D133 K263 Y268 L269 L270D133-T266 PolarHBondContact O-OG1 3.26Å; D133-T266 VanDerWaalsContact O-OG1 3.04Å; D133-T266 WeakPolarHBondContact OD1-CB 3.48Å; D133-T266 PolarHBondContact OD1-N 3.09Å; D133-T266 PolarHBondContact OD1-OG1 3.37Å; K263-T266 PolarHBondContact O-N 3.46Å; T266-Y268 VanDerWaalsContact C-N 3.27Å; T266-Y268 PolarHBondContact O-N 3.13Å; T266-L269 WeakPolarHBondContact O-CB 3.39Å; T266-L269 PolarHBondContact O-N 2.78Å; T266-L269 VanDerWaalsContact O-N 3.1Å; T266-L270 HydrophobicContact CG2-CD1 3.92Å; T266-L270 HydrophobicContact CG2-CG 4.25Å; T266-L270 WeakPolarHBondContact O-CG 3.04Å; T266-L270 PolarHBondContact O-N 2.78Å
267S90.2Very high79.7Confident22 Ų2255 Ų5515%0.15428%0.277CS..Hα-helixtrans-66.8-27.8-179.1-58.40000112.3D261 K263 L265 D271 R393D261-S267 VanDerWaalsContact CG-OG 3.3Å; D261-S267 PolarHBondContact OD1-OG 3.35Å; D261-S267 WeakPolarHBondContact OD2-CB 3.43Å; D261-S267 PolarHBondContact OD2-OG 2.99Å; D261-S267 VanDerWaalsContact OD2-OG 3.13Å; K263-S267 VanDerWaalsContact O-CB 3.25Å; K263-S267 WeakPolarHBondContact O-CB 3.24Å; K263-S267 PolarHBondContact O-N 2.98Å; K263-S267 PolarHBondContact O-OG 3.49Å; L265-S267 VanDerWaalsContact C-N 3.34Å; L265-S267 PolarHBondContact O-N 2.94Å; S267-D271 WeakPolarHBondContact O-CB 3.32Å; S267-D271 PolarHBondContact O-N 3.47Å; S267-R393 VanDerWaalsContact CB-NH1 3.29Å; S267-R393 PolarHBondContact O-NH2 3.01Å
268Y92.9Very high81.9Confident3 Ų349.9 Ų49.91%0.01225%0.252CS..Hα-helixtrans-65.4-45.5170172.9-85.1000111.2L167 I206 I246 R264 L265 T266 L272 T281 L283 L348 A409L167-Y268 HydrophobicContact CD1-CD1 4.03Å; L167-Y268 HydrophobicContact CD1-CE1 3.69Å; L167-Y268 HydrophobicContact CD2-CD1 3.94Å; L167-Y268 HydrophobicContact CD2-CE1 4.11Å; I206-Y268 HydrophobicContact CD1-CE1 4.34Å; I206-Y268 HydrophobicContact CG1-CE1 4.33Å; I206-Y268 WeakPolarHBondContact CG1-OH 3.23Å; I246-Y268 HydrophobicContact CD1-CE2 4.44Å; I246-Y268 HydrophobicContact CG2-CD2 3.7Å; I246-Y268 HydrophobicContact CG2-CE2 4.01Å; R264-Y268 VanDerWaalsContact O-CB 3.29Å; R264-Y268 WeakPolarHBondContact O-CB 3.45Å; R264-Y268 PolarHBondContact O-N 3.26Å; L265-Y268 WeakPolarHBondContact O-CB 3.46Å; L265-Y268 PolarHBondContact O-N 3.43Å; T266-Y268 VanDerWaalsContact C-N 3.27Å; T266-Y268 PolarHBondContact O-N 3.13Å; Y268-L272 HydrophobicContact CD1-CD1 4.24Å; Y268-L272 HydrophobicContact CD2-CD1 3.76Å; Y268-L272 HydrophobicContact CE1-CD1 3.83Å; Y268-L272 HydrophobicContact CE2-CD1 3.32Å; Y268-L272 HydrophobicContact CG-CD1 4.19Å; Y268-L272 WeakPolarHBondContact O-CB 3.45Å; Y268-L272 PolarHBondContact O-N 3.05Å; Y268-L272 VanDerWaalsContact O-N 3.14Å; Y268-T281 HydrophobicContact CE1-CG2 4.45Å; Y268-T281 WeakPolarHBondContact OH-CB 3.5Å; Y268-T281 PolarHBondContact OH-OG1 3.05Å; Y268-L283 HydrophobicContact CE2-CD2 4.26Å; Y268-L283 WeakPolarHBondContact OH-CD2 3.35Å; Y268-L348 HydrophobicContact CD2-CD2 3.69Å; Y268-L348 HydrophobicContact CE2-CD2 4.33Å; Y268-A409 HydrophobicContact CE2-CB 3.56Å
269L92.7Very high84.1Confident8 Ų842.7 Ų42.74%0.04222%0.218CC..Hα-helixtrans-68.1-42.7-179.7-70166000111.9C165 L167 D203 L265 T266 D271 L272 C273C165-L269 HydrophobicContact CB-CD1 3.62Å; L167-L269 HydrophobicContact CB-CD1 4.47Å; L167-L269 HydrophobicContact CB-CD2 4.42Å; L167-L269 HydrophobicContact CD1-CD2 3.84Å; D203-L269 HydrophobicContact CB-CB 4.45Å; D203-L269 HydrophobicContact CB-CD1 3.67Å; D203-L269 HydrophobicContact CB-CD2 3.84Å; D203-L269 HydrophobicContact CB-CG 4.2Å; L265-L269 HydrophobicContact CD2-CD1 3.58Å; L265-L269 HydrophobicContact CD2-CG 4.46Å; L265-L269 WeakPolarHBondContact O-CG 3.22Å; L265-L269 PolarHBondContact O-N 2.88Å; L265-L269 VanDerWaalsContact O-N 3.1Å; T266-L269 WeakPolarHBondContact O-CB 3.39Å; T266-L269 PolarHBondContact O-N 2.78Å; T266-L269 VanDerWaalsContact O-N 3.1Å; L269-D271 VanDerWaalsContact C-N 3.31Å; L269-D271 PolarHBondContact O-N 3.07Å; L269-L272 PolarHBondContact O-N 3.35Å; L269-C273 HydrophobicContact CD2-CB 4.42Å; L269-C273 WeakPolarHBondContact O-CA 3.36Å; L269-C273 WeakPolarHBondContact O-CB 3.45Å; L269-C273 PolarHBondContact O-N 3.05Å
270L89.7Confident86.3Confident112 Ų11236.6 Ų36.659%0.58619%0.191SC*.Hα-helixtrans-61.7-39.1178.2-70.5174.7000112.4T266T266-L270 HydrophobicContact CG2-CD1 3.92Å; T266-L270 HydrophobicContact CG2-CG 4.25Å; T266-L270 WeakPolarHBondContact O-CG 3.04Å; T266-L270 PolarHBondContact O-N 2.78Å
271D88Confident87.9Confident29 Ų2932.5 Ų32.516%0.15517%0.173CC..Hα-helixtrans-73.5-34.6179.7-72.82.3000112.4S267 L269 S346 V391 R393S267-D271 WeakPolarHBondContact O-CB 3.32Å; S267-D271 PolarHBondContact O-N 3.47Å; L269-D271 VanDerWaalsContact C-N 3.31Å; L269-D271 PolarHBondContact O-N 3.07Å; D271-S346 VanDerWaalsContact O-CB 3.29Å; D271-S346 WeakPolarHBondContact O-CB 3.16Å; D271-V391 HydrophobicContact CB-CG2 4.49Å; D271-V391 WeakPolarHBondContact OD2-CB 3.49Å; D271-V391 WeakPolarHBondContact OD2-CG2 3.26Å; D271-R393 VanDerWaalsContact CG-NH2 3.33Å; D271-R393 IonicContact OD1-NH2 2.78Å; D271-R393 IonicContact OD2-CZ 2.68Å; D271-R393 IonicContact OD2-NE 3.63Å; D271-R393 IonicContact OD2-NH2 3.17Å; D271-R393 PolarHBondContact OD2-NH2 3.15Å
272L90.2Very high89.2Confident0 Ų032 Ų320%017%0.17CC..Hα-helixtrans-107.3-32.9-168.8-66.3172.4000114.9Y268 L269 T281 S346 L348 A409 N411Y268-L272 HydrophobicContact CD1-CD1 4.24Å; Y268-L272 HydrophobicContact CD2-CD1 3.76Å; Y268-L272 HydrophobicContact CE1-CD1 3.83Å; Y268-L272 HydrophobicContact CE2-CD1 3.32Å; Y268-L272 HydrophobicContact CG-CD1 4.19Å; Y268-L272 WeakPolarHBondContact O-CB 3.45Å; Y268-L272 PolarHBondContact O-N 3.05Å; Y268-L272 VanDerWaalsContact O-N 3.14Å; L269-L272 PolarHBondContact O-N 3.35Å; L272-T281 HydrophobicContact CB-CG2 3.84Å; L272-T281 HydrophobicContact CD1-CG2 4.17Å; L272-S346 WeakPolarHBondContact CA-OG 3.37Å; L272-S346 PolarHBondContact O-OG 2.93Å; L272-L348 HydrophobicContact CD1-CB 4.22Å; L272-L348 HydrophobicContact CD2-CB 4.19Å; L272-L348 HydrophobicContact CG-CB 4.33Å; L272-A409 HydrophobicContact CD1-CB 3.5Å; L272-A409 VanDerWaalsContact CD1-CB 3.5Å; L272-N411 PolarHBondContact O-ND2 3.21Å
273C89.2Confident90Very high16 Ų1627.5 Ų27.511%0.10815%0.151CC..  trans-115.939.9-168.2-56.30000112D203 L269 H275 R279D203-C273 VanDerWaalsContact O-CB 3.3Å; D203-C273 WeakPolarHBondContact O-CB 3.41Å; L269-C273 HydrophobicContact CD2-CB 4.42Å; L269-C273 WeakPolarHBondContact O-CA 3.36Å; L269-C273 WeakPolarHBondContact O-CB 3.45Å; L269-C273 PolarHBondContact O-N 3.05Å; C273-H275 PolarHBondContact O-N 3.36Å; C273-R279 HydrophobicContact CB-CG 4.49Å
274G77.6Confident90.2Very high34 Ų3423.6 Ų23.635%0.35113%0.133SC..  trans-69.4-12.5-175.200000115.9
275H84.3Confident90.3Very high31 Ų3123.9 Ų23.914%0.14414%0.136CC..BIsolated β-bridgetrans-124.2136.3-178.6-171.4-84.6000110.9C273 D277 Y278C273-H275 PolarHBondContact O-N 3.36Å; H275-D277 VanDerWaalsContact C-N 3.27Å; H275-D277 IonicContact CE1-OD2 2.6Å; H275-D277 PolarHBondContact CE1-OD2 2.91Å; H275-D277 PolarHBondContact ND1-N 2.95Å; H275-D277 VanDerWaalsContact ND1-N 3.16Å; H275-D277 IonicContact ND1-OD2 3.65Å; H275-D277 PolarHBondContact O-N 3.06Å; H275-Y278 HydrophobicContact CB-CD2 3.92Å; H275-Y278 AromaticContact CG-CD2 3.82Å; H275-Y278 AromaticContact ND1-CD2 3.5Å; H275-Y278 WeakPolarHBondContact ND1-CD2 3.44Å; H275-Y278 AromaticContact ND1-CE2 3.87Å; H275-Y278 CarbonylContact O-C 3.58Å; H275-Y278 PolarHBondContact O-N 3.45Å
276P84.8Confident90.3Very high57 Ų5724.2 Ų24.237%0.3714%0.138SC..THydrogen-bonded Turntrans-60.1-31.4-174.622.3-34.5000114.2A199 Y278 R279A199-P276 HydrophobicContact CB-CB 3.91Å; P276-Y278 VanDerWaalsContact C-N 3.34Å; P276-R279 WeakPolarHBondContact O-CD 3.4Å; P276-R279 WeakPolarHBondContact O-CG 3.36Å; P276-R279 PolarHBondContact O-NE 3.06Å
277D87.1Confident90.2Very high72 Ų7223.3 Ų23.339%0.38513%0.132SC..THydrogen-bonded Turntrans-80.3-16.3177.7-60.2-24000113.4H275H275-D277 VanDerWaalsContact C-N 3.27Å; H275-D277 IonicContact CE1-OD2 2.6Å; H275-D277 PolarHBondContact CE1-OD2 2.91Å; H275-D277 PolarHBondContact ND1-N 2.95Å; H275-D277 VanDerWaalsContact ND1-N 3.16Å; H275-D277 IonicContact ND1-OD2 3.65Å; H275-D277 PolarHBondContact O-N 3.06Å
278Y90.1Very high90.2Very high33 Ų3322.9 Ų22.913%0.12913%0.127CC..BIsolated β-bridgetrans-120.867.6-174-55.9-67.1000110.7H275 P276 L345 N411 C487 Y488 L491H275-Y278 HydrophobicContact CB-CD2 3.92Å; H275-Y278 AromaticContact CG-CD2 3.82Å; H275-Y278 AromaticContact ND1-CD2 3.5Å; H275-Y278 WeakPolarHBondContact ND1-CD2 3.44Å; H275-Y278 AromaticContact ND1-CE2 3.87Å; H275-Y278 CarbonylContact O-C 3.58Å; H275-Y278 PolarHBondContact O-N 3.45Å; P276-Y278 VanDerWaalsContact C-N 3.34Å; Y278-L345 HydrophobicContact CD1-CD1 3.46Å; Y278-L345 VanDerWaalsContact CD1-CD1 3.46Å; Y278-L345 HydrophobicContact CD2-CD1 3.97Å; Y278-L345 HydrophobicContact CE1-CD1 4.06Å; Y278-L345 HydrophobicContact CG-CD1 3.41Å; Y278-L345 VanDerWaalsContact CG-CD1 3.41Å; Y278-N411 PolarHBondContact O-ND2 3.04Å; Y278-C487 HydrophobicContact CE1-CB 4.04Å; Y278-C487 PolarHBondContact OH-O 3.44Å; Y278-Y488 VanDerWaalsContact CA-OH 3.28Å; Y278-Y488 WeakPolarHBondContact CA-OH 3.48Å; Y278-Y488 HydrophobicContact CD1-CD1 4.22Å; Y278-Y488 HydrophobicContact CD1-CD2 4.34Å; Y278-Y488 AromaticContact CD1-CE1 3.91Å; Y278-Y488 HydrophobicContact CD1-CE1 3.91Å; Y278-Y488 HydrophobicContact CD1-CE2 4.04Å; Y278-Y488 HydrophobicContact CD1-CG 4.43Å; Y278-Y488 AromaticContact CD1-CZ 3.82Å; Y278-L491 HydrophobicContact CE1-CD2 3.72Å; Y278-L491 HydrophobicContact CE1-CG 4.36Å
279R93.1Very high89.9Confident9 Ų924.9 Ų24.93%0.03414%0.137CC..  trans-106.12.9-178.4-66.9179.8-72.8155.3-3.8113.8L194 T198 L202 D203 F205 C273 P276 Y488L194-R279 PolarHBondContact O-NH2 3.1Å; T198-R279 PolarHBondContact O-NH1 2.86Å; L202-R279 WeakPolarHBondContact O-CD 3.45Å; L202-R279 PolarHBondContact O-NH1 3.09Å; D203-R279 WeakPolarHBondContact O-CD 3.35Å; D203-R279 WeakPolarHBondContact O-CG 3.47Å; F205-R279 HydrophobicContact CD2-CB 4.01Å; F205-R279 HydrophobicContact CE2-CB 4.29Å; F205-R279 PolarHBondContact N-O 3.41Å; C273-R279 HydrophobicContact CB-CG 4.49Å; P276-R279 WeakPolarHBondContact O-CD 3.4Å; P276-R279 WeakPolarHBondContact O-CG 3.36Å; P276-R279 PolarHBondContact O-NE 3.06Å; R279-Y488 PolarHBondContact N-OH 3.1Å
280I94.7Very high89.6Confident3 Ų325.1 Ų25.12%0.01514%0.14CC..EExtended strand (participates in β ladder)trans-98.5119.7-174.5-58176.3000110.3L194 M207 N411 T440 L444 I484 Y488L194-I280 HydrophobicContact CD1-CD1 3.98Å; L194-I280 HydrophobicContact CD2-CD1 4.25Å; L194-I280 HydrophobicContact CD2-CG1 4.21Å; M207-I280 HydrophobicContact CE-CG2 3.18Å; M207-I280 HydrophobicContact CG-CG2 3.75Å; M207-I280 HydrophobicContact SD-CG2 3.58Å; M207-I280 VanDerWaalsContact SD-CG2 3.58Å; I280-N411 PolarHBondContact O-OD1 3.38Å; I280-T440 HydrophobicContact CB-CG2 4.37Å; I280-T440 HydrophobicContact CD1-CG2 4.21Å; I280-T440 HydrophobicContact CG2-CG2 3.99Å; I280-L444 HydrophobicContact CD1-CD1 4.14Å; I280-I484 HydrophobicContact CD1-CG2 4.3Å; I280-Y488 HydrophobicContact CB-CE2 4.21Å; I280-Y488 WeakPolarHBondContact CB-OH 3.46Å; I280-Y488 HydrophobicContact CD1-CE2 4.06Å; I280-Y488 HydrophobicContact CG1-CE2 4.3Å; I280-Y488 PolarHBondContact N-OH 2.75Å; I280-Y488 PolarHBondContact O-OH 2.79Å
281T94.2Very high89.4Confident0 Ų023.5 Ų23.50%013%0.134CC..EExtended strand (participates in β ladder)trans-118.6158.1-177.263.10000111.3F205 I206 M207 Y268 L272 S410 N411F205-T281 PolarHBondContact O-N 3.48Å; F205-T281 PolarHBondContact O-OG1 3.19Å; I206-T281 WeakPolarHBondContact CG1-OG1 3.32Å; M207-T281 PolarHBondContact N-O 3.26Å; Y268-T281 HydrophobicContact CE1-CG2 4.45Å; Y268-T281 WeakPolarHBondContact OH-CB 3.5Å; Y268-T281 PolarHBondContact OH-OG1 3.05Å; L272-T281 HydrophobicContact CB-CG2 3.84Å; L272-T281 HydrophobicContact CD1-CG2 4.17Å; T281-S410 WeakPolarHBondContact CA-O 3.32Å; T281-N411 HydrophobicContact CG2-CB 4.49Å
282R92.4Very high89.3Confident13 Ų1329 Ų295%0.04916%0.159CC..EExtended strand (participates in β ladder)trans-132142177.9-63.3176.7-65.9173.7-5.1109.9A409 S410 G412 G413 G438R282-A409 WeakPolarHBondContact O-CA 3.39Å; R282-S410 PolarHBondContact N-O 3.22Å; R282-S410 PolarHBondContact O-N 2.9Å; R282-G412 PolarHBondContact NH2-O 3.17Å; R282-G413 PolarHBondContact NH2-O 3.09Å; R282-G438 WeakPolarHBondContact CD-O 3.39Å; R282-G438 PolarHBondContact NH1-O 2.87Å
283L94.1Very high89.3Confident14 Ų1432 Ų327%0.07318%0.175CC..EExtended strand (participates in β ladder)trans-104.9144.6178.3-54.1-168.6000111.7I206 Q242 L243 I246 Y268 V408 A409I206-L283 HydrophobicContact CD1-CD1 4.26Å; I206-L283 HydrophobicContact CG2-CD1 4.06Å; I206-L283 HydrophobicContact CG2-CD2 4.39Å; I206-L283 HydrophobicContact CG2-CG 3.71Å; Q242-L283 HydrophobicContact CB-CB 4.04Å; Q242-L283 HydrophobicContact CB-CD1 4.15Å; L243-L283 HydrophobicContact CB-CD1 4.29Å; L243-L283 HydrophobicContact CD1-CD1 4.17Å; I246-L283 HydrophobicContact CD1-CD1 3.93Å; I246-L283 HydrophobicContact CD1-CD2 3.4Å; I246-L283 HydrophobicContact CD1-CG 4.15Å; Y268-L283 HydrophobicContact CE2-CD2 4.26Å; Y268-L283 WeakPolarHBondContact OH-CD2 3.35Å; L283-V408 CarbonylContact C-O 3.3Å; L283-V408 WeakPolarHBondContact CA-O 3.34Å; L283-A409 HydrophobicContact CD2-CB 3.57Å
284R91.9Very high89.3Confident15 Ų1533 Ų336%0.05718%0.176CC..EExtended strand (participates in β ladder)trans-137.7150.8172.7-62.8178.2179.884.7-2.1108.8M311 F407 V408 S410R284-M311 HydrophobicContact CB-CE 4.1Å; R284-M311 HydrophobicContact CG-CE 4.07Å; R284-F407 WeakPolarHBondContact O-CA 3.32Å; R284-V408 HydrophobicContact CB-CB 4.42Å; R284-V408 PolarHBondContact N-O 2.83Å; R284-V408 PolarHBondContact O-N 3.49Å; R284-S410 PolarHBondContact NH1-OG 3.45Å
285C93.2Very high89.9Confident11 Ų1137.4 Ų37.47%0.07419%0.186CC..EExtended strand (participates in β ladder)trans-137.6145173.661.80000110.6Q242 L406 F407Q242-C285 HydrophobicContact CG-CB 3.86Å; Q242-C285 VanDerWaalsContact CG-SG 3.53Å; C285-L406 CarbonylContact C-O 3.56Å; C285-L406 WeakPolarHBondContact CA-O 3.36Å; C285-F407 HydrophobicContact CB-CD1 3.63Å; C285-F407 HydrophobicContact CB-CE1 3.61Å
286L92.6Very high90.1Very high6 Ų643.4 Ų43.43%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-142.1136.1179.3-70.6167.9000110.3L304 H307 A308 M311 E319 S405 L406L286-L304 HydrophobicContact CB-CD2 3.97Å; L286-H307 HydrophobicContact CD1-CB 3.93Å; L286-H307 HydrophobicContact CD2-CB 4.47Å; L286-A308 HydrophobicContact CD1-CB 3.76Å; L286-A308 VanDerWaalsContact CD1-N 3.31Å; L286-M311 HydrophobicContact CD1-SD 3.65Å; L286-M311 HydrophobicContact CD2-SD 3.6Å; L286-M311 VanDerWaalsContact CD2-SD 3.6Å; L286-M311 HydrophobicContact CG-SD 3.73Å; L286-E319 HydrophobicContact CD2-CB 4.21Å; L286-S405 CarbonylContact O-C 3.56Å; L286-S405 WeakPolarHBondContact O-CA 3.29Å; L286-L406 PolarHBondContact N-O 3.1Å; L286-L406 PolarHBondContact O-N 2.99Å
287P91Very high90.4Very high1 Ų141.4 Ų41.41%0.00620%0.199CC..  cis-74.4166.9-15.733.3-31.5000110.8M289 C297 Y402 R404P287-M289 HydrophobicContact CB-CE 4.41Å; P287-C297 HydrophobicContact CG-CB 4.35Å; P287-Y402 HydrophobicContact CG-CD1 3.78Å; P287-Y402 HydrophobicContact CG-CE1 3.9Å; P287-R404 WeakPolarHBondContact CD-O 3.34Å
288Y89.5Confident90.5Very high13 Ų1343.4 Ų43.45%0.05121%0.214CC..  trans-130.2117.3167.6-172.4-100.2000110.5I216 R220 L238 H241I216-Y288 HydrophobicContact CG2-CD1 3.82Å; I216-Y288 HydrophobicContact CG2-CE1 4.45Å; I216-Y288 HydrophobicContact CG2-CG 4.46Å; R220-Y288 VanDerWaalsContact CD-O 3.25Å; R220-Y288 WeakPolarHBondContact CD-O 3.47Å; R220-Y288 WeakPolarHBondContact CG-O 3.47Å; L238-Y288 HydrophobicContact CB-CE1 4.26Å; L238-Y288 HydrophobicContact CB-CE2 4.11Å; L238-Y288 HydrophobicContact CD1-CD1 3.93Å; L238-Y288 HydrophobicContact CD1-CD2 3.46Å; L238-Y288 VanDerWaalsContact CD1-CD2 3.46Å; L238-Y288 HydrophobicContact CD1-CE1 3.92Å; L238-Y288 HydrophobicContact CD1-CE2 3.44Å; L238-Y288 VanDerWaalsContact CD1-CE2 3.44Å; L238-Y288 HydrophobicContact CD1-CG 3.7Å; L238-Y288 HydrophobicContact CD2-CE1 4.42Å; L238-Y288 HydrophobicContact CG-CE1 4.42Å; L238-Y288 HydrophobicContact CG-CE2 4.35Å; H241-Y288 AromaticContact CD2-CD2 3.96Å
289M88.2Confident90.5Very high45 Ų4543.6 Ų43.622%0.22222%0.216CC..  trans-140.7160.1-173.8-63.4-166.1-178.100111.4P287 N293 R294 C297 Y402P287-M289 HydrophobicContact CB-CE 4.41Å; M289-N293 HydrophobicContact CB-CB 4.38Å; M289-N293 HydrophobicContact SD-CB 4.45Å; M289-R294 PolarHBondContact O-NE 3.03Å; M289-C297 PolarHBondContact SD-SG 3.01Å; M289-Y402 HydrophobicContact CB-CE1 4.34Å; M289-Y402 PolarHBondContact N-OH 3.15Å; M289-Y402 PolarHBondContact O-OH 2.85Å; M289-Y402 VanDerWaalsContact O-OH 3.09Å
290P85.9Confident90.5Very high14 Ų1446.1 Ų46.19%0.09123%0.233CC..  trans-54151.7168.6-19.928.3000111.8L221 S224 E292 N293 R294L221-P290 HydrophobicContact CD2-CB 4.11Å; L221-P290 HydrophobicContact CD2-CG 3.7Å; S224-P290 WeakPolarHBondContact OG-CG 3.3Å; P290-E292 VanDerWaalsContact C-N 3.27Å; P290-E292 PolarHBondContact O-N 3.48Å; P290-N293 PolarHBondContact O-N 3.25Å; P290-R294 VanDerWaalsContact O-CG 3.24Å; P290-R294 WeakPolarHBondContact O-CG 3.46Å; P290-R294 PolarHBondContact O-N 2.82Å
291V85.6Confident90.4Very high78 Ų7846.8 Ų46.847%0.47324%0.235SC..G310 helixtrans-54.6-41.5-173.6179.80000112.1N293 R294V291-N293 PolarHBondContact O-N 2.95Å; V291-R294 PolarHBondContact O-N 2.9Å
292E85.8Confident90.2Very high143 Ų14349.6 Ų49.667%0.66826%0.258SS*.G310 helixtrans-60.5-30.9-178.6-56.5110.3-155.300113.3P290 F296P290-E292 VanDerWaalsContact C-N 3.27Å; P290-E292 PolarHBondContact O-N 3.48Å; E292-F296 WeakPolarHBondContact O-CD2 3.3Å; E292-F296 WeakPolarHBondContact O-CE2 3.18Å
293N89.1Confident90.1Very high65 Ų6551.8 Ų51.835%0.34827%0.269SS..G310 helixtrans-93.4-14.1-171.4-68.3-9.3000113.4S224 M289 P290 V291 K295 F296S224-N293 PolarHBondContact OG-ND2 2.78Å; M289-N293 HydrophobicContact CB-CB 4.38Å; M289-N293 HydrophobicContact SD-CB 4.45Å; P290-N293 PolarHBondContact O-N 3.25Å; V291-N293 PolarHBondContact O-N 2.95Å; N293-K295 VanDerWaalsContact C-N 3.32Å; N293-K295 PolarHBondContact O-N 3.46Å; N293-F296 PolarHBondContact O-N 3.24Å
294R90.8Very high90Very high35 Ų3551.1 Ų51.113%0.13227%0.266CS..G310 helixtrans-61.4-37.7-170.4-56.3-172.7177.9164.61.4113.5M289 P290 V291 F296 C297 G400 E401 Y402 P403M289-R294 PolarHBondContact O-NE 3.03Å; P290-R294 VanDerWaalsContact O-CG 3.24Å; P290-R294 WeakPolarHBondContact O-CG 3.46Å; P290-R294 PolarHBondContact O-N 2.82Å; V291-R294 PolarHBondContact O-N 2.9Å; R294-F296 PolarHBondContact O-N 2.97Å; R294-C297 PolarHBondContact O-N 3.13Å; R294-C297 PolarHBondContact O-SG 3.21Å; R294-C297 VanDerWaalsContact O-SG 3.39Å; R294-G400 WeakPolarHBondContact CD-O 3.43Å; R294-G400 PolarHBondContact NH1-O 3.03Å; R294-E401 HydrophobicContact CB-CB 4.33Å; R294-Y402 HydrophobicContact CB-CD1 3.77Å; R294-Y402 HydrophobicContact CB-CE1 3.64Å; R294-Y402 HydrophobicContact CB-CE2 4.45Å; R294-Y402 HydrophobicContact CB-CG 4.25Å; R294-Y402 WeakPolarHBondContact CD-OH 3.39Å; R294-Y402 HydrophobicContact CG-CD1 4.16Å; R294-Y402 HydrophobicContact CG-CE1 3.51Å; R294-Y402 HydrophobicContact CG-CE2 4.06Å; R294-Y402 VanDerWaalsContact CG-CZ 3.46Å; R294-Y402 PolarHBondContact NE-OH 3.11Å; R294-Y402 VanDerWaalsContact NE-OH 3.17Å; R294-P403 VanDerWaalsContact O-CD 3.28Å; R294-P403 WeakPolarHBondContact O-CD 3.19Å
295K88.7Confident89.8Confident128 Ų12850.5 Ų50.556%0.55726%0.263SS*.G310 helixtrans-68.7-21179.4-64.7179.7-175.3166.90112.9N293 E401N293-K295 VanDerWaalsContact C-N 3.32Å; N293-K295 PolarHBondContact O-N 3.46Å; K295-E401 WeakPolarHBondContact CE-OE1 3.37Å; K295-E401 WeakPolarHBondContact CE-OE2 3.41Å; K295-E401 HydrophobicContact CG-CB 4.17Å; K295-E401 IonicContact NZ-OE1 3.41Å; K295-E401 PolarHBondContact NZ-OE1 3.4Å; K295-E401 IonicContact NZ-OE2 3.48Å; K295-E401 PolarHBondContact NZ-OE2 3.2Å
296F89.7Confident89.5Confident157 Ų15755.7 Ų55.769%0.68928%0.282SS*.G310 helixtrans-99.84.5-177-53.7-71.7000112.8E292 N293 R294 T298E292-F296 WeakPolarHBondContact O-CD2 3.3Å; E292-F296 WeakPolarHBondContact O-CE2 3.18Å; N293-F296 PolarHBondContact O-N 3.24Å; R294-F296 PolarHBondContact O-N 2.97Å; F296-T298 PolarHBondContact O-N 3.19Å
297C89.8Confident89.3Confident14 Ų1456.6 Ų56.610%0.09529%0.285CS..  trans-61.9122.6176.8-67.90000111.2P287 M289 R294 Y402 P403P287-C297 HydrophobicContact CG-CB 4.35Å; M289-C297 PolarHBondContact SD-SG 3.01Å; R294-C297 PolarHBondContact O-N 3.13Å; R294-C297 PolarHBondContact O-SG 3.21Å; R294-C297 VanDerWaalsContact O-SG 3.39Å; C297-Y402 HydrophobicContact CB-CD1 4.47Å; C297-P403 HydrophobicContact CB-CG 4.35Å; C297-P403 WeakPolarHBondContact O-CG 3.38Å
298T90.2Very high89.2Confident115 Ų11556.6 Ų56.671%0.70629%0.286SS*.  trans-98.53-178.851.70000114F296 T300F296-T298 PolarHBondContact O-N 3.19Å; T298-T300 PolarHBondContact O-N 3.45Å
299E89.8Confident89Confident36 Ų3657.6 Ų57.617%0.16829%0.289CS..  trans-58.6133.9-176.1-63.7-57.6144.700112.1Q303 L304 H307 R404E299-Q303 WeakPolarHBondContact OE2-CB 3.33Å; E299-Q303 VanDerWaalsContact OE2-CD 3.25Å; E299-Q303 PolarHBondContact OE2-OE1 3.04Å; E299-L304 HydrophobicContact CB-CD2 3.87Å; E299-L304 HydrophobicContact CB-CG 4.13Å; E299-L304 HydrophobicContact CG-CD2 4.32Å; E299-H307 IonicContact OE2-CE1 3.89Å; E299-R404 PolarHBondContact O-NH1 3.43Å
300T92.8Very high88.7Confident62 Ų6255.6 Ų55.638%0.3828%0.28SS..  trans-90.4156.9174.262.50000110.5T298 A302 Q303 L304T298-T300 PolarHBondContact O-N 3.45Å; T300-A302 PolarHBondContact O-N 3.05Å; T300-Q303 WeakPolarHBondContact O-CB 3.45Å; T300-Q303 PolarHBondContact O-N 3.43Å; T300-Q303 WeakPolarHBondContact OG1-CG 3.48Å; T300-Q303 PolarHBondContact OG1-N 3.1Å; T300-Q303 PolarHBondContact OG1-OE1 2.86Å; T300-L304 WeakPolarHBondContact O-CG 3.14Å; T300-L304 PolarHBondContact O-N 2.81Å
301W92.9Very high88.6Confident18 Ų1855.1 Ų55.17%0.06828%0.276CS..Hα-helixtrans-56-34.3174.9-71.3117.8000113.1L304 A305 L351 D354 A356 H359 F366 R404 S405 L406W301-L304 HydrophobicContact CE3-CD1 3.87Å; W301-L304 HydrophobicContact CZ3-CD1 3.97Å; W301-L304 PolarHBondContact O-N 2.92Å; W301-A305 WeakPolarHBondContact O-CB 3.5Å; W301-A305 PolarHBondContact O-N 2.78Å; W301-L351 HydrophobicContact CD2-CD2 4.34Å; W301-L351 HydrophobicContact CE3-CD2 3.88Å; W301-L351 HydrophobicContact CE3-CG 4.09Å; W301-L351 HydrophobicContact CH2-CB 3.63Å; W301-L351 HydrophobicContact CH2-CD2 4.25Å; W301-L351 HydrophobicContact CH2-CG 3.99Å; W301-L351 HydrophobicContact CZ2-CB 4.38Å; W301-L351 HydrophobicContact CZ3-CB 3.76Å; W301-L351 HydrophobicContact CZ3-CD2 3.84Å; W301-L351 HydrophobicContact CZ3-CG 3.57Å; W301-D354 PolarHBondContact NE1-O 3.04Å; W301-A356 HydrophobicContact CH2-CB 4.2Å; W301-A356 HydrophobicContact CZ2-CB 3.8Å; W301-H359 WeakPolarHBondContact CB-NE2 3.27Å; W301-H359 AromaticContact CD1-CD2 3.37Å; W301-H359 AromaticContact CD1-NE2 3.23Å; W301-H359 AromaticContact CG-CD2 3.53Å; W301-H359 AromaticContact CG-NE2 3.42Å; W301-H359 AromaticContact NE1-CD2 3.81Å; W301-F366 HydrophobicContact CB-CE2 4.31Å; W301-F366 HydrophobicContact CE3-CE2 4.25Å; W301-R404 HydrophobicContact CH2-CB 4.17Å; W301-R404 HydrophobicContact CZ2-CB 3.98Å; W301-R404 HydrophobicContact CZ2-CG 3.95Å; W301-S405 WeakPolarHBondContact CH2-O 3.13Å; W301-L406 HydrophobicContact CZ3-CB 4.36Å
302A89.7Confident88.5Confident59 Ų5951.8 Ų51.849%0.48826%0.255SS..Hα-helixtrans-67.8-34.8175.800000113T300 R306T300-A302 PolarHBondContact O-N 3.05Å; A302-R306 WeakPolarHBondContact O-CB 3.38Å; A302-R306 PolarHBondContact O-N 3.39Å
303Q90.5Very high88.1Confident59 Ų5945.4 Ų45.428%0.27623%0.226SC..Hα-helixtrans-69.9-48.1172.3-74161.9-60.900110.6E299 T300 A305 R306 H307E299-Q303 WeakPolarHBondContact OE2-CB 3.33Å; E299-Q303 VanDerWaalsContact OE2-CD 3.25Å; E299-Q303 PolarHBondContact OE2-OE1 3.04Å; T300-Q303 WeakPolarHBondContact O-CB 3.45Å; T300-Q303 PolarHBondContact O-N 3.43Å; T300-Q303 WeakPolarHBondContact OG1-CG 3.48Å; T300-Q303 PolarHBondContact OG1-N 3.1Å; T300-Q303 PolarHBondContact OG1-OE1 2.86Å; Q303-A305 PolarHBondContact O-N 3.38Å; Q303-R306 WeakPolarHBondContact O-CB 3.21Å; Q303-R306 PolarHBondContact O-N 3.27Å; Q303-R306 VanDerWaalsContact O-N 3.1Å; Q303-H307 VanDerWaalsContact O-CG 3.25Å; Q303-H307 PolarHBondContact O-N 2.84Å
304L91.7Very high87.3Confident0 Ų043.2 Ų43.20%022%0.215CC..Hα-helixtrans-58.1-45178.7-64.5177.4000112.2L286 E299 T300 W301 R306 H307 A308 R404 L406L286-L304 HydrophobicContact CB-CD2 3.97Å; E299-L304 HydrophobicContact CB-CD2 3.87Å; E299-L304 HydrophobicContact CB-CG 4.13Å; E299-L304 HydrophobicContact CG-CD2 4.32Å; T300-L304 WeakPolarHBondContact O-CG 3.14Å; T300-L304 PolarHBondContact O-N 2.81Å; W301-L304 HydrophobicContact CE3-CD1 3.87Å; W301-L304 HydrophobicContact CZ3-CD1 3.97Å; W301-L304 PolarHBondContact O-N 2.92Å; L304-R306 VanDerWaalsContact C-N 3.33Å; L304-R306 PolarHBondContact O-N 2.82Å; L304-H307 PolarHBondContact O-N 2.76Å; L304-A308 VanDerWaalsContact O-CB 3.27Å; L304-A308 WeakPolarHBondContact O-CB 3.5Å; L304-A308 PolarHBondContact O-N 2.84Å; L304-R404 HydrophobicContact CD1-CB 3.98Å; L304-L406 HydrophobicContact CB-CB 4.32Å; L304-L406 HydrophobicContact CB-CD2 4.07Å; L304-L406 HydrophobicContact CD1-CB 4.39Å
305A89Confident86.3Confident1 Ų142 Ų421%0.00821%0.213CC..Hα-helixtrans-62.6-40.5176.700000112.1W301 Q303 R309 F366W301-A305 WeakPolarHBondContact O-CB 3.5Å; W301-A305 PolarHBondContact O-N 2.78Å; Q303-A305 PolarHBondContact O-N 3.38Å; A305-R309 WeakPolarHBondContact O-CB 3.4Å; A305-R309 PolarHBondContact O-N 3.04Å; A305-F366 HydrophobicContact CB-CD2 4.4Å; A305-F366 HydrophobicContact CB-CE2 3.82Å; A305-F366 HydrophobicContact CB-CZ 4.04Å
306R87.1Confident85.4Confident121 Ų12136.5 Ų36.546%0.45719%0.191SC..Hα-helixtrans-66.4-43.4177.9-164.4-167.1-44.6160.99.1111.9A302 Q303 L304 R309 Q310 W324A302-R306 WeakPolarHBondContact O-CB 3.38Å; A302-R306 PolarHBondContact O-N 3.39Å; Q303-R306 WeakPolarHBondContact O-CB 3.21Å; Q303-R306 PolarHBondContact O-N 3.27Å; Q303-R306 VanDerWaalsContact O-N 3.1Å; L304-R306 VanDerWaalsContact C-N 3.33Å; L304-R306 PolarHBondContact O-N 2.82Å; R306-R309 PolarHBondContact O-N 2.85Å; R306-Q310 PolarHBondContact O-N 3Å; R306-W324 HydrophobicContact CG-CH2 3.78Å; R306-W324 HydrophobicContact CG-CZ3 3.76Å
307H88.3Confident84.1Confident24 Ų2429.8 Ų29.811%0.11117%0.165CC..Hα-helixtrans-66.9-43.8177.1-61.9165.8000111L286 E299 Q303 L304 R309 Q310 M311 E319 L322 W324L286-H307 HydrophobicContact CD1-CB 3.93Å; L286-H307 HydrophobicContact CD2-CB 4.47Å; E299-H307 IonicContact OE2-CE1 3.89Å; Q303-H307 VanDerWaalsContact O-CG 3.25Å; Q303-H307 PolarHBondContact O-N 2.84Å; L304-H307 PolarHBondContact O-N 2.76Å; H307-R309 PolarHBondContact O-N 2.73Å; H307-Q310 PolarHBondContact O-N 3.33Å; H307-Q310 VanDerWaalsContact O-N 3.16Å; H307-M311 VanDerWaalsContact O-CG 3.32Å; H307-M311 WeakPolarHBondContact O-CG 3.38Å; H307-M311 PolarHBondContact O-N 3.24Å; H307-E319 HydrophobicContact CB-CG 4.38Å; H307-E319 IonicContact CE1-OE1 3.67Å; H307-E319 PolarHBondContact CE1-OE1 2.99Å; H307-E319 IonicContact CG-OE1 3.55Å; H307-E319 IonicContact ND1-OE1 3.87Å; H307-E319 PolarHBondContact ND1-OE1 3.46Å; H307-L322 HydrophobicContact CB-CD1 4.3Å; H307-W324 AromaticContact CD2-CH2 3.61Å; H307-W324 AromaticContact CD2-CZ2 3.62Å; H307-W324 AromaticContact NE2-CZ2 3.86Å
308A89.1Confident82.9Confident2 Ų229.5 Ų29.52%0.01716%0.162CC..Hα-helixtrans-58-47.3174.800000111.7L286 L304 Q310 M311 L312 L370 L406 V408L286-A308 HydrophobicContact CD1-CB 3.76Å; L286-A308 VanDerWaalsContact CD1-N 3.31Å; L304-A308 VanDerWaalsContact O-CB 3.27Å; L304-A308 WeakPolarHBondContact O-CB 3.5Å; L304-A308 PolarHBondContact O-N 2.84Å; A308-Q310 VanDerWaalsContact C-N 3.3Å; A308-Q310 PolarHBondContact O-N 2.75Å; A308-M311 WeakPolarHBondContact O-CB 3.46Å; A308-M311 PolarHBondContact O-N 2.74Å; A308-L312 WeakPolarHBondContact O-CG 3.14Å; A308-L312 PolarHBondContact O-N 2.97Å; A308-L370 HydrophobicContact CB-CD1 3.89Å; A308-L370 HydrophobicContact CB-CG 4.23Å; A308-L406 HydrophobicContact CB-CD2 3.65Å; A308-V408 HydrophobicContact CB-CG2 4.16Å
309R84.7Confident81.4Confident34 Ų3425.3 Ų25.313%0.12814%0.135CC..Hα-helixtrans-56.3-46.3175.3179.6171.8169.1-88.64.2111.5A305 R306 H307 M311 L312 L313 T328 S369 L370 L374A305-R309 WeakPolarHBondContact O-CB 3.4Å; A305-R309 PolarHBondContact O-N 3.04Å; R306-R309 PolarHBondContact O-N 2.85Å; H307-R309 PolarHBondContact O-N 2.73Å; R309-M311 PolarHBondContact O-N 2.79Å; R309-L312 PolarHBondContact O-N 3.2Å; R309-L313 HydrophobicContact CG-CD1 4.04Å; R309-L313 WeakPolarHBondContact O-CB 3.06Å; R309-L313 PolarHBondContact O-N 3.16Å; R309-T328 PolarHBondContact NH2-OG1 3.41Å; R309-S369 WeakPolarHBondContact CD-O 3.47Å; R309-L370 VanDerWaalsContact CB-O 3.31Å; R309-L370 WeakPolarHBondContact CB-O 3.15Å; R309-L370 WeakPolarHBondContact CG-O 3.33Å; R309-L374 HydrophobicContact CG-CD1 4.1Å
310Q82.3Confident79.8Confident3 Ų328.1 Ų28.11%0.01415%0.151CC..Hα-helixtrans-68.1-35.8-179.2-158.660.42700112.1R306 H307 A308 L312 L313 T314 L322 D323 W324 A326R306-Q310 PolarHBondContact O-N 3Å; H307-Q310 PolarHBondContact O-N 3.33Å; H307-Q310 VanDerWaalsContact O-N 3.16Å; A308-Q310 VanDerWaalsContact C-N 3.3Å; A308-Q310 PolarHBondContact O-N 2.75Å; Q310-L312 VanDerWaalsContact C-N 3.35Å; Q310-L313 PolarHBondContact O-N 2.83Å; Q310-T314 HydrophobicContact CG-CG2 4.18Å; Q310-T314 WeakPolarHBondContact O-CB 3.36Å; Q310-T314 VanDerWaalsContact O-CG2 3.32Å; Q310-T314 WeakPolarHBondContact O-CG2 3.33Å; Q310-T314 PolarHBondContact O-N 2.76Å; Q310-T314 PolarHBondContact O-OG1 3.44Å; Q310-L322 HydrophobicContact CB-CB 4.42Å; Q310-L322 HydrophobicContact CB-CD1 3.92Å; Q310-L322 HydrophobicContact CB-CD2 3.78Å; Q310-L322 HydrophobicContact CB-CG 4.22Å; Q310-L322 HydrophobicContact CG-CB 3.79Å; Q310-L322 HydrophobicContact CG-CD1 4.22Å; Q310-L322 HydrophobicContact CG-CD2 3.75Å; Q310-L322 HydrophobicContact CG-CG 4.09Å; Q310-D323 PolarHBondContact NE2-O 3.2Å; Q310-W324 HydrophobicContact CB-CZ3 4.47Å; Q310-W324 HydrophobicContact CG-CE3 4.36Å; Q310-W324 HydrophobicContact CG-CZ3 4.44Å; Q310-A326 PolarHBondContact NE2-O 2.94Å; Q310-A326 VanDerWaalsContact NE2-O 3.16Å
311M84.2Confident78.1Confident4 Ų431.7 Ų31.72%0.0216%0.161CC..Hα-helixtrans-63.1-40.6172.6-70.2176.286.800112R284 L286 H307 A308 R309 G315 S316 A317 L322R284-M311 HydrophobicContact CB-CE 4.1Å; R284-M311 HydrophobicContact CG-CE 4.07Å; L286-M311 HydrophobicContact CD1-SD 3.65Å; L286-M311 HydrophobicContact CD2-SD 3.6Å; L286-M311 VanDerWaalsContact CD2-SD 3.6Å; L286-M311 HydrophobicContact CG-SD 3.73Å; H307-M311 VanDerWaalsContact O-CG 3.32Å; H307-M311 WeakPolarHBondContact O-CG 3.38Å; H307-M311 PolarHBondContact O-N 3.24Å; A308-M311 WeakPolarHBondContact O-CB 3.46Å; A308-M311 PolarHBondContact O-N 2.74Å; R309-M311 PolarHBondContact O-N 2.79Å; M311-G315 CarbonylContact O-C 3.58Å; M311-G315 VanDerWaalsContact O-CA 3.27Å; M311-G315 WeakPolarHBondContact O-CA 3.34Å; M311-G315 PolarHBondContact O-N 2.96Å; M311-S316 WeakPolarHBondContact CB-O 3.36Å; M311-S316 PolarHBondContact O-N 3.42Å; M311-A317 VanDerWaalsContact CE-C 3.44Å; M311-A317 WeakPolarHBondContact CE-O 3.49Å; M311-L322 HydrophobicContact CB-CD2 4.42Å; M311-L322 HydrophobicContact CG-CD2 3.84Å
312L82.8Confident76.6Confident7 Ų731.4 Ų31.44%0.03716%0.161CC..Hα-helixtrans-66.7-42.9176.4-69.7171.5000111.7A308 R309 Q310 L344 L370 L374 V408A308-L312 WeakPolarHBondContact O-CG 3.14Å; A308-L312 PolarHBondContact O-N 2.97Å; R309-L312 PolarHBondContact O-N 3.2Å; Q310-L312 VanDerWaalsContact C-N 3.35Å; L312-L344 HydrophobicContact CB-CD1 4.14Å; L312-L344 HydrophobicContact CD1-CD1 4.03Å; L312-L344 HydrophobicContact CD2-CD1 4.28Å; L312-L344 HydrophobicContact CD2-CD2 4.2Å; L312-L344 HydrophobicContact CG-CD1 4.38Å; L312-L370 HydrophobicContact CD1-CD2 3.75Å; L312-L374 HydrophobicContact CB-CD1 4.14Å; L312-V408 HydrophobicContact CD1-CG1 4.31Å; L312-V408 HydrophobicContact CD2-CG1 4.16Å
313L77.1Confident75.1Confident10 Ų1032.3 Ų32.35%0.05216%0.157CC..Hα-helixtrans-64.6-48.6177.6-89.2168.2000113.4R309 Q310 G315 I337 R341 L374R309-L313 HydrophobicContact CG-CD1 4.04Å; R309-L313 WeakPolarHBondContact O-CB 3.06Å; R309-L313 PolarHBondContact O-N 3.16Å; Q310-L313 PolarHBondContact O-N 2.83Å; L313-G315 VanDerWaalsContact C-N 3.32Å; L313-I337 HydrophobicContact CD2-CG2 4.37Å; L313-R341 WeakPolarHBondContact O-CD 3.3Å; L313-R341 PolarHBondContact O-NE 3.48Å; L313-L374 HydrophobicContact CD1-CD2 4.2Å; L313-L374 HydrophobicContact CD2-CD2 3.18Å; L313-L374 HydrophobicContact CG-CD1 4.16Å; L313-L374 HydrophobicContact CG-CD2 3.48Å; L313-L374 VanDerWaalsContact CG-CD2 3.48Å; L313-L374 HydrophobicContact CG-CG 4.47Å
314T73.1Confident74Confident18 Ų1835.6 Ų35.611%0.1117%0.167CC..Hα-helixtrans-82-16.7-175.2580000112.3Q310 S316 D323Q310-T314 HydrophobicContact CG-CG2 4.18Å; Q310-T314 WeakPolarHBondContact O-CB 3.36Å; Q310-T314 VanDerWaalsContact O-CG2 3.32Å; Q310-T314 WeakPolarHBondContact O-CG2 3.33Å; Q310-T314 PolarHBondContact O-N 2.76Å; Q310-T314 PolarHBondContact O-OG1 3.44Å; T314-S316 PolarHBondContact O-N 2.95Å; T314-S316 WeakPolarHBondContact OG1-CB 3.39Å; T314-S316 PolarHBondContact OG1-N 3.44Å; T314-S316 VanDerWaalsContact OG1-N 3.11Å; T314-D323 HydrophobicContact CG2-CB 4.24Å
315G69.5Low72.3Confident9 Ų940.3 Ų40.39%0.09320%0.2CC..  trans70.3-2.6-164.900000113.1M311 L313 A317M311-G315 CarbonylContact O-C 3.58Å; M311-G315 VanDerWaalsContact O-CA 3.27Å; M311-G315 WeakPolarHBondContact O-CA 3.34Å; M311-G315 PolarHBondContact O-N 2.96Å; L313-G315 VanDerWaalsContact C-N 3.32Å; G315-A317 PolarHBondContact O-N 3.1Å
316S68.5Low70.8Confident14 Ų1441.4 Ų41.410%0.09821%0.209CC..  trans-61.7134.4-179.2-174.80000110.3M311 T314 V318M311-S316 WeakPolarHBondContact CB-O 3.36Å; M311-S316 PolarHBondContact O-N 3.42Å; T314-S316 PolarHBondContact O-N 2.95Å; T314-S316 WeakPolarHBondContact OG1-CB 3.39Å; T314-S316 PolarHBondContact OG1-N 3.44Å; T314-S316 VanDerWaalsContact OG1-N 3.11Å; S316-V318 PolarHBondContact OG-N 3.37Å; S316-V318 VanDerWaalsContact OG-N 3.15Å; S316-V318 PolarHBondContact OG-O 2.89Å
317A63.6Low69.2Low16 Ų1637.8 Ų37.813%0.13220%0.203CC..SBendtrans-89.9-6.9171.200000113.2T212 I216 M311 G315T212-A317 HydrophobicContact CG2-CB 2.98Å; I216-A317 HydrophobicContact CD1-CB 4.06Å; I216-A317 WeakPolarHBondContact CD1-O 3.34Å; I216-A317 HydrophobicContact CG1-CB 4.41Å; I216-A317 WeakPolarHBondContact CG1-O 3.34Å; M311-A317 VanDerWaalsContact CE-C 3.44Å; M311-A317 WeakPolarHBondContact CE-O 3.49Å; G315-A317 PolarHBondContact O-N 3.1Å
318V63.5Low67.5Low8 Ų837.1 Ų37.15%0.04820%0.201CC..  trans-118.4133.2-179.3-170.90000109.6I216 N219 S316 D320I216-V318 HydrophobicContact CG1-CG2 3.76Å; N219-V318 HydrophobicContact CB-CG1 4.31Å; S316-V318 PolarHBondContact OG-N 3.37Å; S316-V318 VanDerWaalsContact OG-N 3.15Å; S316-V318 PolarHBondContact OG-O 2.89Å; V318-D320 HydrophobicContact CG1-CB 4.29Å
319E60.5Low65.7Low26 Ų2641.2 Ų41.212%0.12123%0.229CC..SBendtrans-67.6-31.8178.4176.1-174.6-151.900113.4R220 L286 H307 K321 L322R220-E319 IonicContact CZ-OE2 3.59Å; R220-E319 IonicContact NH2-OE2 2.63Å; R220-E319 PolarHBondContact NH2-OE2 3.19Å; L286-E319 HydrophobicContact CD2-CB 4.21Å; H307-E319 HydrophobicContact CB-CG 4.38Å; H307-E319 IonicContact CE1-OE1 3.67Å; H307-E319 PolarHBondContact CE1-OE1 2.99Å; H307-E319 IonicContact CG-OE1 3.55Å; H307-E319 IonicContact ND1-OE1 3.87Å; H307-E319 PolarHBondContact ND1-OE1 3.46Å; E319-K321 VanDerWaalsContact C-N 3.33Å; E319-K321 PolarHBondContact O-N 3.04Å; E319-L322 HydrophobicContact CB-CD1 4.36Å; E319-L322 HydrophobicContact CG-CD1 4.15Å; E319-L322 WeakPolarHBondContact O-CB 3.44Å; E319-L322 VanDerWaalsContact O-CD1 3.23Å; E319-L322 WeakPolarHBondContact O-CD1 3.45Å; E319-L322 WeakPolarHBondContact O-CG 3.26Å; E319-L322 PolarHBondContact O-N 3.05Å
320D55.6Low63.8Low95 Ų9545 Ų4551%0.50825%0.251SS..THydrogen-bonded Turntrans-72.3-24.7-177.7-61.4-24.9000114.1R220 V318 L322R220-D320 IonicContact CZ-OD1 3.71Å; R220-D320 IonicContact CZ-OD2 3.74Å; R220-D320 VanDerWaalsContact CZ-OD2 3.32Å; R220-D320 IonicContact NH1-OD1 3.77Å; R220-D320 PolarHBondContact NH1-OD1 3.28Å; R220-D320 IonicContact NH1-OD2 2.76Å; R220-D320 PolarHBondContact NH1-OD2 2.91Å; R220-D320 IonicContact NH2-OD1 2.76Å; R220-D320 PolarHBondContact NH2-OD1 3.25Å; R220-D320 IonicContact NH2-OD2 3.97Å; V318-D320 HydrophobicContact CG1-CB 4.29Å; D320-L322 VanDerWaalsContact C-N 3.31Å
321K57.2Low62.1Low137 Ų13751.5 Ų51.560%0.59630%0.296SS*.THydrogen-bonded Turntrans-97.421.7179.6-66.3-172.4179.2-179.60112.3E319 D323E319-K321 VanDerWaalsContact C-N 3.33Å; E319-K321 PolarHBondContact O-N 3.04Å; K321-D323 PolarHBondContact O-N 2.79Å
322L60.2Low60.4Low12 Ų1253.5 Ų53.56%0.06332%0.317CS..  trans-70.1113.4178.1-70.2174.6000110.1H307 Q310 M311 E319 D320 W324H307-L322 HydrophobicContact CB-CD1 4.3Å; Q310-L322 HydrophobicContact CB-CB 4.42Å; Q310-L322 HydrophobicContact CB-CD1 3.92Å; Q310-L322 HydrophobicContact CB-CD2 3.78Å; Q310-L322 HydrophobicContact CB-CG 4.22Å; Q310-L322 HydrophobicContact CG-CB 3.79Å; Q310-L322 HydrophobicContact CG-CD1 4.22Å; Q310-L322 HydrophobicContact CG-CD2 3.75Å; Q310-L322 HydrophobicContact CG-CG 4.09Å; M311-L322 HydrophobicContact CB-CD2 4.42Å; M311-L322 HydrophobicContact CG-CD2 3.84Å; E319-L322 HydrophobicContact CB-CD1 4.36Å; E319-L322 HydrophobicContact CG-CD1 4.15Å; E319-L322 WeakPolarHBondContact O-CB 3.44Å; E319-L322 VanDerWaalsContact O-CD1 3.23Å; E319-L322 WeakPolarHBondContact O-CD1 3.45Å; E319-L322 WeakPolarHBondContact O-CG 3.26Å; E319-L322 PolarHBondContact O-N 3.05Å; D320-L322 VanDerWaalsContact C-N 3.31Å; L322-W324 HydrophobicContact CD1-CZ2 4.25Å; L322-W324 PolarHBondContact O-N 3.32Å
323D58.7Low59Low78 Ų7853.7 Ų53.742%0.41732%0.32SS..  trans-72.695171.6177.712.4000109.9Q310 T314 K321 S325 A326Q310-D323 PolarHBondContact NE2-O 3.2Å; T314-D323 HydrophobicContact CG2-CB 4.24Å; K321-D323 PolarHBondContact O-N 2.79Å; D323-S325 VanDerWaalsContact CG-OG 3.22Å; D323-S325 PolarHBondContact O-N 3.19Å; D323-S325 WeakPolarHBondContact OD1-CB 3.33Å; D323-S325 PolarHBondContact OD1-N 3.12Å; D323-S325 PolarHBondContact OD1-OG 3.2Å; D323-S325 PolarHBondContact OD2-OG 2.77Å; D323-A326 PolarHBondContact O-N 2.57Å
324W67.8Low58Low128 Ų12856 Ų5649%0.48533%0.332SS..THydrogen-bonded Turntrans-70-7.3178.3-67.8101.3000114.2R306 H307 Q310 L322 A326R306-W324 HydrophobicContact CG-CH2 3.78Å; R306-W324 HydrophobicContact CG-CZ3 3.76Å; H307-W324 AromaticContact CD2-CH2 3.61Å; H307-W324 AromaticContact CD2-CZ2 3.62Å; H307-W324 AromaticContact NE2-CZ2 3.86Å; Q310-W324 HydrophobicContact CB-CZ3 4.47Å; Q310-W324 HydrophobicContact CG-CE3 4.36Å; Q310-W324 HydrophobicContact CG-CZ3 4.44Å; L322-W324 HydrophobicContact CD1-CZ2 4.25Å; L322-W324 PolarHBondContact O-N 3.32Å; W324-A326 VanDerWaalsContact C-N 3.26Å; W324-A326 PolarHBondContact O-N 3.44Å
325S57Low57.5Low99 Ų9960 Ų6069%0.69235%0.353SS*.THydrogen-bonded Turntrans-71.6-24175.178.30000112.4D323 S327D323-S325 VanDerWaalsContact CG-OG 3.22Å; D323-S325 PolarHBondContact O-N 3.19Å; D323-S325 WeakPolarHBondContact OD1-CB 3.33Å; D323-S325 PolarHBondContact OD1-N 3.12Å; D323-S325 PolarHBondContact OD1-OG 3.2Å; D323-S325 PolarHBondContact OD2-OG 2.77Å; S325-S327 PolarHBondContact O-N 3.19Å; S325-S327 VanDerWaalsContact O-N 3.07Å
326A56.2Low57.2Low24 Ų2469 Ų6920%0.19838%0.384CS..  trans-78.584.7172.800000110.7Q310 D323 W324Q310-A326 PolarHBondContact NE2-O 2.94Å; Q310-A326 VanDerWaalsContact NE2-O 3.16Å; D323-A326 PolarHBondContact O-N 2.57Å; W324-A326 VanDerWaalsContact C-N 3.26Å; W324-A326 PolarHBondContact O-N 3.44Å
327S54.6Low57Low46 Ų4669 Ų6932%0.32238%0.382SS..  trans-114.5141.9171.6-179.70000111.2S325 S329 S333S325-S327 PolarHBondContact O-N 3.19Å; S325-S327 VanDerWaalsContact O-N 3.07Å; S327-S329 VanDerWaalsContact C-N 3.29Å; S327-S329 PolarHBondContact OG-N 3.25Å; S327-S329 PolarHBondContact OG-OG 3.26Å; S327-S333 WeakPolarHBondContact O-CB 3.25Å; S327-S333 PolarHBondContact O-OG 2.71Å
328T52.5Low57.1Low10 Ų1070.4 Ų70.46%0.06139%0.386CS..SBendtrans-80.8-3174.467.70000113.3R309 N330 S333 N334 I337 D373R309-T328 PolarHBondContact NH2-OG1 3.41Å; T328-N330 VanDerWaalsContact C-N 3.31Å; T328-N330 PolarHBondContact O-N 3.42Å; T328-S333 WeakPolarHBondContact CA-OG 3.47Å; T328-S333 PolarHBondContact O-OG 2.77Å; T328-N334 PolarHBondContact O-OD1 3.45Å; T328-I337 HydrophobicContact CG2-CD1 3.31Å; T328-D373 HydrophobicContact CG2-CB 4.1Å; T328-D373 PolarHBondContact OG1-OD2 3.09Å
329S49.9Very low57.4Low87 Ų8774.6 Ų74.661%0.60841%0.409SS*.  trans-73.6-9.1-167.558.50000116.3S327S327-S329 VanDerWaalsContact C-N 3.29Å; S327-S329 PolarHBondContact OG-N 3.25Å; S327-S329 PolarHBondContact OG-OG 3.26Å
330N46.1Very low57.9Low113 Ų11376 Ų7660%0.60442%0.421SS*.SBendtrans-101.7141.3-176.1-70.6-6.2000111T328 G332 S333T328-N330 VanDerWaalsContact C-N 3.31Å; T328-N330 PolarHBondContact O-N 3.42Å; N330-G332 PolarHBondContact O-N 2.67Å; N330-S333 PolarHBondContact N-OG 3.25Å; N330-S333 PolarHBondContact O-N 2.97Å; N330-S333 PolarHBondContact O-OG 3.23Å
331C45.3Very low58.9Low141 Ų14173.9 Ų73.995%0.95341%0.406SS*.THydrogen-bonded Turntrans-57.2-16.2-179.2-161.50000114.3
332G48.9Very low60Low45 Ų4567.9 Ų67.946%0.46438%0.38SS..THydrogen-bonded Turntrans-106.3-1.1171.600000115.7N330N330-G332 PolarHBondContact O-N 2.67Å
333S54Low61Low12 Ų1267.3 Ų67.38%0.08438%0.377CS..Hα-helixtrans-78.7-29.9178.152.60000113.3S327 T328 N330 R336 I337S327-S333 WeakPolarHBondContact O-CB 3.25Å; S327-S333 PolarHBondContact O-OG 2.71Å; T328-S333 WeakPolarHBondContact CA-OG 3.47Å; T328-S333 PolarHBondContact O-OG 2.77Å; N330-S333 PolarHBondContact N-OG 3.25Å; N330-S333 PolarHBondContact O-N 2.97Å; N330-S333 PolarHBondContact O-OG 3.23Å; S333-R336 PolarHBondContact O-N 3.35Å; S333-R336 VanDerWaalsContact O-N 3.12Å; S333-I337 VanDerWaalsContact O-CG1 3.3Å; S333-I337 WeakPolarHBondContact O-CG1 3.4Å; S333-I337 PolarHBondContact O-N 3.17Å
334N56.7Low62.2Low59 Ų5963.8 Ų63.832%0.31636%0.359SS..Hα-helixtrans-60.1-50.3178.6-73.26.1000110.8T328 R336 I337 E338T328-N334 PolarHBondContact O-OD1 3.45Å; N334-R336 VanDerWaalsContact C-N 3.27Å; N334-R336 PolarHBondContact O-N 2.92Å; N334-I337 PolarHBondContact O-N 2.89Å; N334-I337 VanDerWaalsContact O-N 3.09Å; N334-E338 WeakPolarHBondContact O-CB 3.07Å; N334-E338 VanDerWaalsContact O-CG 3.32Å; N334-E338 WeakPolarHBondContact O-CG 3.49Å; N334-E338 PolarHBondContact O-N 2.88Å
335N61.3Low62.9Low102 Ų10258.2 Ų58.255%0.54534%0.338SS..Hα-helixtrans-58.4-36.5174.4-68.211.7000113N339N335-N339 VanDerWaalsContact O-CB 3.24Å; N335-N339 WeakPolarHBondContact O-CB 3.39Å; N335-N339 PolarHBondContact O-N 3.43Å; N335-N339 PolarHBondContact O-ND2 3.33Å
336R62.8Low64.3Low197 Ų19753.6 Ų53.674%0.74331%0.306SS*.Hα-helixtrans-68.2-39.8177.2-72.7-176.6-175.8-177.11.3112S333 N334 S340S333-R336 PolarHBondContact O-N 3.35Å; S333-R336 VanDerWaalsContact O-N 3.12Å; N334-R336 VanDerWaalsContact C-N 3.27Å; N334-R336 PolarHBondContact O-N 2.92Å; R336-S340 WeakPolarHBondContact O-CB 3.47Å; R336-S340 PolarHBondContact O-N 3.13Å; R336-S340 VanDerWaalsContact O-N 3.09Å; R336-S340 PolarHBondContact O-OG 2.82Å
337I65.1Low65.8Low13 Ų1352.5 Ų52.57%0.06730%0.296CS..Hα-helixtrans-69.7-47.7178-68169.9000109.3L313 T328 S333 N334 N339 S340 R341 W493L313-I337 HydrophobicContact CD2-CG2 4.37Å; T328-I337 HydrophobicContact CG2-CD1 3.31Å; S333-I337 VanDerWaalsContact O-CG1 3.3Å; S333-I337 WeakPolarHBondContact O-CG1 3.4Å; S333-I337 PolarHBondContact O-N 3.17Å; N334-I337 PolarHBondContact O-N 2.89Å; N334-I337 VanDerWaalsContact O-N 3.09Å; I337-N339 PolarHBondContact O-N 2.68Å; I337-S340 PolarHBondContact O-N 2.82Å; I337-R341 HydrophobicContact CG2-CB 4.16Å; I337-R341 HydrophobicContact CG2-CG 4.26Å; I337-R341 WeakPolarHBondContact O-CA 3.38Å; I337-R341 WeakPolarHBondContact O-CB 3.09Å; I337-R341 PolarHBondContact O-N 3.3Å; I337-W493 HydrophobicContact CG2-CH2 4.25Å; I337-W493 HydrophobicContact CG2-CZ2 4.04Å
338E65.5Low67.5Low47 Ų4750.4 Ų50.422%0.2228%0.282CS..Hα-helixtrans-56.9-35.5176.4-71.1173.4-174.100112.5N334 R416 W493N334-E338 WeakPolarHBondContact O-CB 3.07Å; N334-E338 VanDerWaalsContact O-CG 3.32Å; N334-E338 WeakPolarHBondContact O-CG 3.49Å; N334-E338 PolarHBondContact O-N 2.88Å; E338-R416 WeakPolarHBondContact O-CD 3.32Å; E338-R416 PolarHBondContact O-NE 3.03Å; E338-R416 VanDerWaalsContact O-NE 3.11Å; E338-R416 PolarHBondContact O-NH1 3.03Å; E338-W493 HydrophobicContact CB-CG 4.32Å; E338-W493 HydrophobicContact CG-CB 4.24Å; E338-W493 HydrophobicContact CG-CD2 4Å; E338-W493 HydrophobicContact CG-CG 3.77Å
339N68.8Low69.4Low96 Ų9649.9 Ų49.951%0.51328%0.279SS..Hα-helixtrans-78-26.9177-73.6-25.8000114.1N335 I337 R416 N419N335-N339 VanDerWaalsContact O-CB 3.24Å; N335-N339 WeakPolarHBondContact O-CB 3.39Å; N335-N339 PolarHBondContact O-N 3.43Å; N335-N339 PolarHBondContact O-ND2 3.33Å; I337-N339 PolarHBondContact O-N 2.68Å; N339-R416 WeakPolarHBondContact O-CD 3.41Å; N339-N419 PolarHBondContact O-ND2 3.12Å
340S72.7Confident71.5Confident55 Ų5545.8 Ų45.839%0.38525%0.25SC..Hα-helixtrans-108.3-14.6-173.659.60000114.4R336 I337 R416R336-S340 WeakPolarHBondContact O-CB 3.47Å; R336-S340 PolarHBondContact O-N 3.13Å; R336-S340 VanDerWaalsContact O-N 3.09Å; R336-S340 PolarHBondContact O-OG 2.82Å; I337-S340 PolarHBondContact O-N 2.82Å; S340-R416 PolarHBondContact O-N 3.48Å
341R76.5Confident73.8Confident51 Ų5140.4 Ų40.419%0.19222%0.221CC..EExtended strand (participates in β ladder)trans-132.6150.9-171.6-58.4-62.1-179.5-168.30.8112L313 I337 G414 S415 R416 W493L313-R341 WeakPolarHBondContact O-CD 3.3Å; L313-R341 PolarHBondContact O-NE 3.48Å; I337-R341 HydrophobicContact CG2-CB 4.16Å; I337-R341 HydrophobicContact CG2-CG 4.26Å; I337-R341 WeakPolarHBondContact O-CA 3.38Å; I337-R341 WeakPolarHBondContact O-CB 3.09Å; I337-R341 PolarHBondContact O-N 3.3Å; R341-G414 WeakPolarHBondContact CA-O 3.03Å; R341-G414 WeakPolarHBondContact CD-O 3.38Å; R341-S415 PolarHBondContact NH1-OG 3.37Å; R341-R416 PolarHBondContact O-NE 2.79Å; R341-W493 HydrophobicContact CB-CZ2 4.38Å; R341-W493 PolarHBondContact O-NE1 3.45Å
342L80.1Confident76.1Confident10 Ų1033.7 Ų33.75%0.05218%0.176CC..EExtended strand (participates in β ladder)trans-89.3143.8172.8-61.4167.4000109.1G414 R416 Y488 S489 L491L342-G414 PolarHBondContact N-O 2.62Å; L342-R416 HydrophobicContact CD2-CG 3.66Å; L342-R416 HydrophobicContact CG-CG 4.01Å; L342-Y488 WeakPolarHBondContact CD1-O 3.37Å; L342-S489 VanDerWaalsContact CD2-O 3.25Å; L342-S489 WeakPolarHBondContact CD2-O 3.08Å; L342-L491 HydrophobicContact CD2-CB 4.31Å
343P80.7Confident78.3Confident0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-67154.8175.230.9-36.7000110.9I376 G413 L491 S492 W493P343-I376 HydrophobicContact CB-CG1 3.72Å; P343-I376 HydrophobicContact CG-CD1 4.33Å; P343-I376 HydrophobicContact CG-CG1 3.9Å; P343-G413 WeakPolarHBondContact O-CA 3.26Å; P343-G413 PolarHBondContact O-N 3.35Å; P343-L491 WeakPolarHBondContact CD-O 3.43Å; P343-L491 HydrophobicContact CG-CB 3.82Å; P343-S492 WeakPolarHBondContact CG-O 3.44Å; P343-W493 HydrophobicContact CB-CD2 3.8Å; P343-W493 HydrophobicContact CB-CE3 3.84Å; P343-W493 HydrophobicContact CB-CG 4.35Å; P343-W493 HydrophobicContact CB-CH2 4.31Å; P343-W493 HydrophobicContact CB-CZ2 4.26Å; P343-W493 HydrophobicContact CB-CZ3 4.09Å; P343-W493 HydrophobicContact CG-CD2 4.43Å
344L83.2Confident80.1Confident5 Ų534.4 Ų34.43%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-76.8136.9164.4-68.1170000109.1L312 L374 L375L312-L344 HydrophobicContact CB-CD1 4.14Å; L312-L344 HydrophobicContact CD1-CD1 4.03Å; L312-L344 HydrophobicContact CD2-CD1 4.28Å; L312-L344 HydrophobicContact CD2-CD2 4.2Å; L312-L344 HydrophobicContact CG-CD1 4.38Å; L344-L374 WeakPolarHBondContact CB-O 3.32Å; L344-L374 HydrophobicContact CD1-CB 3.83Å; L344-L374 HydrophobicContact CD1-CD1 4.06Å; L344-L374 HydrophobicContact CG-CB 4.48Å; L344-L374 PolarHBondContact N-O 3.23Å; L344-L375 HydrophobicContact CB-CD2 4.3Å
345L84.2Confident81.8Confident11 Ų1133.1 Ų33.16%0.05817%0.168CC..EExtended strand (participates in β ladder)trans-80.2-64.5172.6-71.7171.4000109Y278 I376 F388 N411 L491Y278-L345 HydrophobicContact CD1-CD1 3.46Å; Y278-L345 VanDerWaalsContact CD1-CD1 3.46Å; Y278-L345 HydrophobicContact CD2-CD1 3.97Å; Y278-L345 HydrophobicContact CE1-CD1 4.06Å; Y278-L345 HydrophobicContact CG-CD1 3.41Å; Y278-L345 VanDerWaalsContact CG-CD1 3.41Å; L345-I376 HydrophobicContact CD2-CD1 3.79Å; L345-F388 HydrophobicContact CB-CD1 4.44Å; L345-F388 HydrophobicContact CB-CE1 4.05Å; L345-F388 VanDerWaalsContact O-CD1 3.32Å; L345-F388 WeakPolarHBondContact O-CD1 3.32Å; L345-N411 HydrophobicContact CB-CB 4.4Å; L345-N411 PolarHBondContact N-O 2.88Å; L345-L491 HydrophobicContact CD1-CD1 4.05Å; L345-L491 HydrophobicContact CD1-CD2 4.24Å; L345-L491 HydrophobicContact CD2-CD1 4.44Å; L345-L491 HydrophobicContact CD2-CD2 3.81Å; L345-L491 HydrophobicContact CG-CD1 4.03Å; L345-L491 HydrophobicContact CG-CD2 4.25Å
346S85.6Confident83.2Confident1 Ų128.2 Ų28.21%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-140.1155.9-17752.30000110.4D271 L272 N411D271-S346 VanDerWaalsContact O-CB 3.29Å; D271-S346 WeakPolarHBondContact O-CB 3.16Å; L272-S346 WeakPolarHBondContact CA-OG 3.37Å; L272-S346 PolarHBondContact O-OG 2.93Å; S346-N411 PolarHBondContact O-N 2.89Å; S346-N411 VanDerWaalsContact OG-CB 3.3Å; S346-N411 WeakPolarHBondContact OG-CB 3.35Å
347Y87.7Confident84.4Confident1 Ų119.7 Ų19.70%0.00411%0.113CC..EExtended strand (participates in β ladder)trans-149.9150176.283.5-84.3000112.3V367 L370 T371 L375 S390 V391 A409Y347-V367 WeakPolarHBondContact OH-CG1 3.47Å; Y347-L370 HydrophobicContact CD2-CD2 4.13Å; Y347-L370 HydrophobicContact CE2-CD2 3.79Å; Y347-T371 HydrophobicContact CD1-CG2 3.71Å; Y347-T371 HydrophobicContact CD2-CG2 4.16Å; Y347-T371 HydrophobicContact CE1-CG2 3.21Å; Y347-T371 WeakPolarHBondContact CE1-OG1 3.37Å; Y347-T371 HydrophobicContact CE2-CG2 3.76Å; Y347-T371 HydrophobicContact CG-CG2 4.08Å; Y347-T371 WeakPolarHBondContact OH-CG2 3.39Å; Y347-T371 PolarHBondContact OH-OG1 2.9Å; Y347-L375 HydrophobicContact CD1-CD2 4.01Å; Y347-L375 HydrophobicContact CE1-CD1 4.36Å; Y347-L375 HydrophobicContact CE1-CD2 4.21Å; Y347-S390 WeakPolarHBondContact CE2-OG 3.26Å; Y347-S390 WeakPolarHBondContact OH-CB 3.37Å; Y347-S390 PolarHBondContact OH-OG 2.71Å; Y347-V391 PolarHBondContact O-N 3.05Å; Y347-V391 VanDerWaalsContact O-N 3.13Å; Y347-A409 CarbonylContact C-O 3.51Å; Y347-A409 VanDerWaalsContact CA-O 3.29Å; Y347-A409 WeakPolarHBondContact CA-O 3.41Å
348L90.1Very high85.5Confident2 Ų224.2 Ų24.21%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-129.2127.1175.617168.1000108.5I246 Y268 L272 V350 V391 R393 V408 A409I246-L348 HydrophobicContact CG2-CD2 4.19Å; Y268-L348 HydrophobicContact CD2-CD2 3.69Å; Y268-L348 HydrophobicContact CE2-CD2 4.33Å; L272-L348 HydrophobicContact CD1-CB 4.22Å; L272-L348 HydrophobicContact CD2-CB 4.19Å; L272-L348 HydrophobicContact CG-CB 4.33Å; L348-V350 HydrophobicContact CD1-CG2 4.44Å; L348-V350 HydrophobicContact CD2-CG2 4.44Å; L348-V350 HydrophobicContact CG-CG2 4.22Å; L348-V391 HydrophobicContact CD1-CB 3.96Å; L348-V391 HydrophobicContact CD1-CG1 4.35Å; L348-R393 HydrophobicContact CD1-CG 4.06Å; L348-V408 CarbonylContact O-C 3.52Å; L348-V408 WeakPolarHBondContact O-CA 3.21Å; L348-A409 HydrophobicContact CB-CB 4.34Å; L348-A409 PolarHBondContact N-O 3.37Å; L348-A409 PolarHBondContact O-N 2.91Å
349S92.2Very high86.5Confident0 Ų024.7 Ų24.70%014%0.139CC..EExtended strand (participates in β ladder)trans-113.7128174.5-61.50000109.8V391 R393 F407S349-V391 PolarHBondContact N-O 3.35Å; S349-R393 PolarHBondContact O-N 3.02Å; S349-F407 CarbonylContact C-O 3.51Å; S349-F407 WeakPolarHBondContact CA-O 3.21Å
350V93.7Very high87.3Confident1 Ų120.5 Ų20.51%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-117.2114.1175.7-176.20000109.6G245 I246 T250 L348 R352 R393 F407G245-V350 WeakPolarHBondContact O-CG1 3.25Å; I246-V350 HydrophobicContact CG1-CG2 4.43Å; I246-V350 HydrophobicContact CG2-CG2 4.46Å; T250-V350 HydrophobicContact CG2-CG1 3.67Å; L348-V350 HydrophobicContact CD1-CG2 4.44Å; L348-V350 HydrophobicContact CD2-CG2 4.44Å; L348-V350 HydrophobicContact CG-CG2 4.22Å; V350-R352 HydrophobicContact CG1-CG 4.47Å; V350-R393 CarbonylContact C-O 3.51Å; V350-R393 VanDerWaalsContact CA-O 3.28Å; V350-R393 WeakPolarHBondContact CA-O 3.42Å; V350-R393 HydrophobicContact CG2-CB 4.46Å; V350-F407 HydrophobicContact CB-CB 4.25Å; V350-F407 PolarHBondContact N-O 3.22Å; V350-F407 PolarHBondContact O-N 3.11Å
351L94.8Very high87.8Confident0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-95.6128.4-179.5-71.268.5000109.5W301 A356 H359 F366 V392 R393 G394 H395 L406W301-L351 HydrophobicContact CD2-CD2 4.34Å; W301-L351 HydrophobicContact CE3-CD2 3.88Å; W301-L351 HydrophobicContact CE3-CG 4.09Å; W301-L351 HydrophobicContact CH2-CB 3.63Å; W301-L351 HydrophobicContact CH2-CD2 4.25Å; W301-L351 HydrophobicContact CH2-CG 3.99Å; W301-L351 HydrophobicContact CZ2-CB 4.38Å; W301-L351 HydrophobicContact CZ3-CB 3.76Å; W301-L351 HydrophobicContact CZ3-CD2 3.84Å; W301-L351 HydrophobicContact CZ3-CG 3.57Å; L351-A356 HydrophobicContact CB-CB 3.82Å; L351-H359 HydrophobicContact CD2-CB 3.56Å; L351-F366 HydrophobicContact CD1-CD1 4.39Å; L351-F366 HydrophobicContact CD1-CE1 3.78Å; L351-F366 HydrophobicContact CD1-CZ 4.14Å; L351-F366 HydrophobicContact CD2-CD1 4.39Å; L351-F366 HydrophobicContact CD2-CD2 4.31Å; L351-F366 HydrophobicContact CD2-CE1 4.08Å; L351-F366 HydrophobicContact CD2-CE2 3.99Å; L351-F366 HydrophobicContact CD2-CZ 3.87Å; L351-F366 HydrophobicContact CG-CE1 4.27Å; L351-F366 HydrophobicContact CG-CZ 4.13Å; L351-V392 HydrophobicContact CD1-CG1 3.8Å; L351-R393 PolarHBondContact N-O 3.44Å; L351-G394 CarbonylContact O-C 3.42Å; L351-G394 WeakPolarHBondContact O-CA 3.19Å; L351-H395 PolarHBondContact O-N 3.48Å; L351-L406 HydrophobicContact CD1-CD1 3.87Å; L351-L406 HydrophobicContact CG-CD1 4.14Å
352R94.5Very high88Confident0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-125.8129176.3-53.1-70.5-172.8178.2-6.4110.4G245 Q248 P249 T250 V350 H395 F399 R404 S405 F407G245-R352 PolarHBondContact O-NE 3.22Å; G245-R352 PolarHBondContact O-NH2 2.91Å; Q248-R352 VanDerWaalsContact C-NH2 3.28Å; Q248-R352 PolarHBondContact O-NH2 3.29Å; P249-R352 PolarHBondContact O-NH1 2.71Å; T250-R352 VanDerWaalsContact CG2-NH2 3.31Å; V350-R352 HydrophobicContact CG1-CG 4.47Å; R352-H395 WeakPolarHBondContact CA-O 3.28Å; R352-F399 HydrophobicContact CB-CB 3.87Å; R352-F399 HydrophobicContact CG-CB 3.97Å; R352-R404 CarbonylContact O-C 3.53Å; R352-R404 WeakPolarHBondContact O-CA 3.36Å; R352-S405 WeakPolarHBondContact CB-OG 3Å; R352-S405 PolarHBondContact N-O 3.39Å; R352-S405 PolarHBondContact O-N 2.85Å; R352-F407 HydrophobicContact CG-CD2 4.07Å; R352-F407 HydrophobicContact CG-CE2 3.86Å
353G93.8Very high87.9Confident0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans114.9-157.117100000115G355 A356 H395 H396 R397 P403G353-G355 PolarHBondContact O-N 2.84Å; G353-A356 WeakPolarHBondContact O-CB 3.36Å; G353-A356 PolarHBondContact O-N 3.36Å; G353-H395 PolarHBondContact N-O 2.87Å; G353-H396 CarbonylContact C-O 3.48Å; G353-H396 VanDerWaalsContact C-O 3.25Å; G353-H396 VanDerWaalsContact CA-O 3.26Å; G353-H396 WeakPolarHBondContact CA-O 3.41Å; G353-H396 WeakPolarHBondContact O-CA 3.44Å; G353-R397 PolarHBondContact N-O 2.96Å; G353-P403 CarbonylContact C-O 3.57Å; G353-P403 VanDerWaalsContact CA-O 3.3Å; G353-P403 WeakPolarHBondContact CA-O 3.4Å
354D92.8Very high87.7Confident72 Ų7234.7 Ų34.739%0.38518%0.182SC..THydrogen-bonded Turntrans-59.5122.8-168.9-62.9-25.6000112W301 A356 H398 P403 R404W301-D354 PolarHBondContact NE1-O 3.04Å; D354-A356 PolarHBondContact O-N 3.12Å; D354-H398 IonicContact OD1-CD2 3.32Å; D354-H398 IonicContact OD1-CE1 3.64Å; D354-H398 IonicContact OD1-NE2 2.81Å; D354-H398 PolarHBondContact OD1-NE2 3.33Å; D354-H398 IonicContact OD2-NE2 2.73Å; D354-P403 PolarHBondContact N-O 3.47Å; D354-R404 HydrophobicContact CB-CG 4.45Å
355G91Very high87.3Confident31 Ų3138.8 Ų38.832%0.3221%0.208SC..THydrogen-bonded Turntrans74.53.5179.900000115G353 S357 D358 H359G353-G355 PolarHBondContact O-N 2.84Å; G355-S357 VanDerWaalsContact C-N 3.29Å; G355-S357 PolarHBondContact O-N 3.37Å; G355-D358 PolarHBondContact O-N 2.95Å; G355-H359 PolarHBondContact O-CD2 3.46Å
356A91.5Very high87Confident0 Ų038.7 Ų38.70%021%0.207CC..Hα-helixtrans-57.4-42.8177.700000111.9W301 L351 G353 D354 D358 H359 V360 H395W301-A356 HydrophobicContact CH2-CB 4.2Å; W301-A356 HydrophobicContact CZ2-CB 3.8Å; L351-A356 HydrophobicContact CB-CB 3.82Å; G353-A356 WeakPolarHBondContact O-CB 3.36Å; G353-A356 PolarHBondContact O-N 3.36Å; D354-A356 PolarHBondContact O-N 3.12Å; A356-D358 VanDerWaalsContact C-N 3.25Å; A356-D358 PolarHBondContact O-N 3.02Å; A356-H359 PolarHBondContact O-N 2.9Å; A356-V360 VanDerWaalsContact O-CG2 3.31Å; A356-V360 WeakPolarHBondContact O-CG2 3.48Å; A356-V360 PolarHBondContact O-N 3.24Å; A356-H395 WeakPolarHBondContact CB-O 3.44Å
357S88.3Confident86.6Confident17 Ų1739.8 Ų39.812%0.11921%0.214CC..Hα-helixtrans-62.5-28.8-179-66.40000113.8G355 R361G355-S357 VanDerWaalsContact C-N 3.29Å; G355-S357 PolarHBondContact O-N 3.37Å; S357-R361 PolarHBondContact O-N 2.84Å
358D88.4Confident86Confident108 Ų10844.9 Ų44.958%0.57824%0.237SC*.Hα-helixtrans-71.4-42.1178-58.9-39.8000110.7G355 A356 V360 R361 D362G355-D358 PolarHBondContact O-N 2.95Å; A356-D358 VanDerWaalsContact C-N 3.25Å; A356-D358 PolarHBondContact O-N 3.02Å; D358-V360 VanDerWaalsContact C-N 3.34Å; D358-V360 PolarHBondContact O-N 3.32Å; D358-R361 PolarHBondContact O-N 2.94Å; D358-D362 PolarHBondContact O-N 2.87Å
359H86.1Confident85.3Confident58 Ų5847.4 Ų47.427%0.26926%0.255SS..Hα-helixtrans-69.5-27.7175.2-71.6-63.5000113.8W301 L351 G355 A356 R361 D362 S363 F366W301-H359 WeakPolarHBondContact CB-NE2 3.27Å; W301-H359 AromaticContact CD1-CD2 3.37Å; W301-H359 AromaticContact CD1-NE2 3.23Å; W301-H359 AromaticContact CG-CD2 3.53Å; W301-H359 AromaticContact CG-NE2 3.42Å; W301-H359 AromaticContact NE1-CD2 3.81Å; L351-H359 HydrophobicContact CD2-CB 3.56Å; G355-H359 PolarHBondContact O-CD2 3.46Å; A356-H359 PolarHBondContact O-N 2.9Å; H359-R361 VanDerWaalsContact C-N 3.32Å; H359-D362 CarbonylContact O-C 3.42Å; H359-D362 VanDerWaalsContact O-C 3.3Å; H359-S363 VanDerWaalsContact O-CA 3.26Å; H359-S363 WeakPolarHBondContact O-CA 3.3Å; H359-S363 PolarHBondContact O-N 2.88Å; H359-F366 HydrophobicContact CB-CD2 4.46Å; H359-F366 AromaticContact ND1-CD2 3.97Å
360V85Confident84.6Confident7 Ų747.4 Ų47.44%0.04226%0.255CS..Hα-helixtrans-72.6-30.6172.6-178.40000110.7Y253 A356 D358 V392Y253-V360 HydrophobicContact CD2-CB 4.23Å; Y253-V360 HydrophobicContact CD2-CG1 3.83Å; Y253-V360 HydrophobicContact CE2-CB 4.46Å; Y253-V360 HydrophobicContact CE2-CG1 4.37Å; A356-V360 VanDerWaalsContact O-CG2 3.31Å; A356-V360 WeakPolarHBondContact O-CG2 3.48Å; A356-V360 PolarHBondContact O-N 3.24Å; D358-V360 VanDerWaalsContact C-N 3.34Å; D358-V360 PolarHBondContact O-N 3.32Å; V360-V392 HydrophobicContact CG2-CG1 4.29Å
361R82.6Confident83.6Confident172 Ų17247.7 Ų47.765%0.64926%0.256SS*.Hα-helixtrans-76-43.3177.5-169.8-175.5-62.1-168.92.4112.3Y253 S357 D358 H359Y253-R361 HydrophobicContact CD2-CB 4.04Å; Y253-R361 HydrophobicContact CE2-CB 4.22Å; S357-R361 PolarHBondContact O-N 2.84Å; D358-R361 PolarHBondContact O-N 2.94Å; H359-R361 VanDerWaalsContact C-N 3.32Å
362D80.8Confident82.5Confident84 Ų8453.9 Ų53.945%0.44928%0.28SS..SBendtrans-107.271.8170.6-178.332.3000110.6D358 H359 T365D358-D362 PolarHBondContact O-N 2.87Å; H359-D362 CarbonylContact O-C 3.42Å; H359-D362 VanDerWaalsContact O-C 3.3Å; D362-T365 PolarHBondContact OD2-OG1 3.43Å
363S78.8Confident81.1Confident35 Ų3557.2 Ų57.225%0.24530%0.298CS..Hα-helixtrans-68.3-35.2-175.959.30000112.5H359 T365 F366 V367H359-S363 VanDerWaalsContact O-CA 3.26Å; H359-S363 WeakPolarHBondContact O-CA 3.3Å; H359-S363 PolarHBondContact O-N 2.88Å; S363-T365 VanDerWaalsContact C-N 3.29Å; S363-T365 PolarHBondContact O-N 3.01Å; S363-T365 VanDerWaalsContact O-N 3.14Å; S363-F366 PolarHBondContact O-N 2.86Å; S363-V367 VanDerWaalsContact O-CB 3.31Å; S363-V367 WeakPolarHBondContact O-CB 3.44Å; S363-V367 WeakPolarHBondContact O-CG2 3.33Å; S363-V367 PolarHBondContact O-N 3.33Å
364N76.6Confident80Confident123 Ų12357.5 Ų57.566%0.65830%0.299SS*.Hα-helixtrans-51-45.9-173-71.7-32.3000113H368N364-H368 WeakPolarHBondContact O-CB 3.34Å; N364-H368 PolarHBondContact O-N 3.33Å
365T75.4Confident78.8Confident92 Ų9256.7 Ų56.756%0.56429%0.294SS*.Hα-helixtrans-65-44.6-179.6-52.70000111.7D362 S363 S369D362-T365 PolarHBondContact OD2-OG1 3.43Å; S363-T365 VanDerWaalsContact C-N 3.29Å; S363-T365 PolarHBondContact O-N 3.01Å; S363-T365 VanDerWaalsContact O-N 3.14Å; T365-S369 PolarHBondContact O-N 3.22Å; T365-S369 VanDerWaalsContact O-N 3.15Å
366F78Confident77.3Confident8 Ų856.9 Ų56.94%0.03529%0.288CS..Hα-helixtrans-69.5-45.7-179.3-172.2-93.3000111.7W301 A305 L351 H359 S363 H368 S369 L370 V392 L406W301-F366 HydrophobicContact CB-CE2 4.31Å; W301-F366 HydrophobicContact CE3-CE2 4.25Å; A305-F366 HydrophobicContact CB-CD2 4.4Å; A305-F366 HydrophobicContact CB-CE2 3.82Å; A305-F366 HydrophobicContact CB-CZ 4.04Å; L351-F366 HydrophobicContact CD1-CD1 4.39Å; L351-F366 HydrophobicContact CD1-CE1 3.78Å; L351-F366 HydrophobicContact CD1-CZ 4.14Å; L351-F366 HydrophobicContact CD2-CD1 4.39Å; L351-F366 HydrophobicContact CD2-CD2 4.31Å; L351-F366 HydrophobicContact CD2-CE1 4.08Å; L351-F366 HydrophobicContact CD2-CE2 3.99Å; L351-F366 HydrophobicContact CD2-CZ 3.87Å; L351-F366 HydrophobicContact CG-CE1 4.27Å; L351-F366 HydrophobicContact CG-CZ 4.13Å; H359-F366 HydrophobicContact CB-CD2 4.46Å; H359-F366 AromaticContact ND1-CD2 3.97Å; S363-F366 PolarHBondContact O-N 2.86Å; F366-H368 PolarHBondContact O-N 2.93Å; F366-S369 WeakPolarHBondContact O-CB 3.42Å; F366-S369 PolarHBondContact O-N 3.17Å; F366-S369 VanDerWaalsContact O-N 3.14Å; F366-L370 HydrophobicContact CE1-CD1 3.73Å; F366-L370 HydrophobicContact CZ-CD1 4.13Å; F366-L370 PolarHBondContact O-N 3.47Å; F366-V392 HydrophobicContact CD1-CG2 4.31Å; F366-L406 HydrophobicContact CE1-CD1 4.31Å; F366-L406 HydrophobicContact CZ-CD1 4.12Å; F366-L406 HydrophobicContact CZ-CD2 4.21Å
367V77.2Confident75.3Confident25 Ų2560.9 Ų60.915%0.15232%0.316CS..Hα-helixtrans-55.2-50.5175164.50000111.2Y347 S363 S369 L370 T371 S390 V392Y347-V367 WeakPolarHBondContact OH-CG1 3.47Å; S363-V367 VanDerWaalsContact O-CB 3.31Å; S363-V367 WeakPolarHBondContact O-CB 3.44Å; S363-V367 WeakPolarHBondContact O-CG2 3.33Å; S363-V367 PolarHBondContact O-N 3.33Å; V367-S369 VanDerWaalsContact C-N 3.29Å; V367-S369 PolarHBondContact O-N 2.74Å; V367-L370 PolarHBondContact O-N 2.85Å; V367-T371 PolarHBondContact O-N 2.8Å; V367-T371 PolarHBondContact O-OG1 3.14Å; V367-S390 WeakPolarHBondContact CG1-OG 2.94Å; V367-S390 WeakPolarHBondContact CG2-OG 3.14Å; V367-V392 HydrophobicContact CG2-CB 4.46Å; V367-V392 HydrophobicContact CG2-CG2 3.31Å
368H74.7Confident73.4Confident108 Ų10861.8 Ų61.850%0.533%0.328SS..Hα-helixtrans-59.9-41.2177.8-177.8-90.9000111.1N364 F366 L370 R372N364-H368 WeakPolarHBondContact O-CB 3.34Å; N364-H368 PolarHBondContact O-N 3.33Å; F366-H368 PolarHBondContact O-N 2.93Å; H368-L370 VanDerWaalsContact C-N 3.26Å; H368-L370 PolarHBondContact O-N 2.84Å; H368-R372 WeakPolarHBondContact O-CB 3.36Å; H368-R372 PolarHBondContact O-N 3.44Å
369S75.9Confident71.2Confident54 Ų5461.8 Ų61.838%0.37833%0.334SS..Hα-helixtrans-63.7-30.4175.6-172.90000113.6R309 T365 F366 V367R309-S369 WeakPolarHBondContact CD-O 3.47Å; T365-S369 PolarHBondContact O-N 3.22Å; T365-S369 VanDerWaalsContact O-N 3.15Å; F366-S369 WeakPolarHBondContact O-CB 3.42Å; F366-S369 PolarHBondContact O-N 3.17Å; F366-S369 VanDerWaalsContact O-N 3.14Å; V367-S369 VanDerWaalsContact C-N 3.29Å; V367-S369 PolarHBondContact O-N 2.74Å
370L76.6Confident69.2Low0 Ų061.4 Ų61.40%034%0.336CS..Hα-helixtrans-90.9-36.9-172.4-161.8142.3000112.9A308 R309 L312 Y347 F366 V367 H368 L406A308-L370 HydrophobicContact CB-CD1 3.89Å; A308-L370 HydrophobicContact CB-CG 4.23Å; R309-L370 VanDerWaalsContact CB-O 3.31Å; R309-L370 WeakPolarHBondContact CB-O 3.15Å; R309-L370 WeakPolarHBondContact CG-O 3.33Å; L312-L370 HydrophobicContact CD1-CD2 3.75Å; Y347-L370 HydrophobicContact CD2-CD2 4.13Å; Y347-L370 HydrophobicContact CE2-CD2 3.79Å; F366-L370 HydrophobicContact CE1-CD1 3.73Å; F366-L370 HydrophobicContact CZ-CD1 4.13Å; F366-L370 PolarHBondContact O-N 3.47Å; V367-L370 PolarHBondContact O-N 2.85Å; H368-L370 VanDerWaalsContact C-N 3.26Å; H368-L370 PolarHBondContact O-N 2.84Å; L370-L406 HydrophobicContact CD1-CD2 4.04Å
371T72.7Confident67.3Low7 Ų764.1 Ų64.14%0.04335%0.354CS..Hα-helixtrans-126.512.5-172.459.80000116.7Y347 V367 D373 L374Y347-T371 HydrophobicContact CD1-CG2 3.71Å; Y347-T371 HydrophobicContact CD2-CG2 4.16Å; Y347-T371 HydrophobicContact CE1-CG2 3.21Å; Y347-T371 WeakPolarHBondContact CE1-OG1 3.37Å; Y347-T371 HydrophobicContact CE2-CG2 3.76Å; Y347-T371 HydrophobicContact CG-CG2 4.08Å; Y347-T371 WeakPolarHBondContact OH-CG2 3.39Å; Y347-T371 PolarHBondContact OH-OG1 2.9Å; V367-T371 PolarHBondContact O-N 2.8Å; V367-T371 PolarHBondContact O-OG1 3.14Å; T371-D373 PolarHBondContact O-N 2.76Å; T371-D373 VanDerWaalsContact O-N 3.12Å; T371-L374 PolarHBondContact O-N 3.33Å
372R71.4Confident65.5Low131 Ų13160.7 Ų60.749%0.49436%0.363SS..THydrogen-bonded Turntrans-49124.3172.5-179-175.2-179.7169.96.4110.9H368 L374H368-R372 WeakPolarHBondContact O-CB 3.36Å; H368-R372 PolarHBondContact O-N 3.44Å; R372-L374 PolarHBondContact O-N 3.41Å
373D66.7Low63.7Low70 Ų7064 Ų6437%0.37438%0.375SS..THydrogen-bonded Turntrans60.422.1179.1-41.5-42.1000115T328 T371 W493T328-D373 HydrophobicContact CG2-CB 4.1Å; T328-D373 PolarHBondContact OG1-OD2 3.09Å; T371-D373 PolarHBondContact O-N 2.76Å; T371-D373 VanDerWaalsContact O-N 3.12Å; D373-W493 VanDerWaalsContact O-CZ3 3.24Å; D373-W493 WeakPolarHBondContact O-CZ3 3.44Å
374L70.3Confident61.7Low5 Ų563.1 Ų63.13%0.02637%0.368CS..THydrogen-bonded Turntrans-107.4-15.3177.6-56.5-169.5000114.7R309 L312 L313 L344 T371 R372R309-L374 HydrophobicContact CG-CD1 4.1Å; L312-L374 HydrophobicContact CB-CD1 4.14Å; L313-L374 HydrophobicContact CD1-CD2 4.2Å; L313-L374 HydrophobicContact CD2-CD2 3.18Å; L313-L374 HydrophobicContact CG-CD1 4.16Å; L313-L374 HydrophobicContact CG-CD2 3.48Å; L313-L374 VanDerWaalsContact CG-CD2 3.48Å; L313-L374 HydrophobicContact CG-CG 4.47Å; L344-L374 WeakPolarHBondContact CB-O 3.32Å; L344-L374 HydrophobicContact CD1-CB 3.83Å; L344-L374 HydrophobicContact CD1-CD1 4.06Å; L344-L374 HydrophobicContact CG-CB 4.48Å; L344-L374 PolarHBondContact N-O 3.23Å; T371-L374 PolarHBondContact O-N 3.33Å; R372-L374 PolarHBondContact O-N 3.41Å
375L67.9Low59.8Low55 Ų5559.8 Ų59.829%0.28835%0.353SS..BIsolated β-bridgetrans-90.9155.2-179.8-60174.9000109.9L344 Y347 S377L344-L375 HydrophobicContact CB-CD2 4.3Å; Y347-L375 HydrophobicContact CD1-CD2 4.01Å; Y347-L375 HydrophobicContact CE1-CD1 4.36Å; Y347-L375 HydrophobicContact CE1-CD2 4.21Å; L375-S377 PolarHBondContact O-N 2.98Å
376I59Low58.1Low36 Ų3661.6 Ų61.619%0.18537%0.367CS..  trans-56.8121.9169.4-61.9178.4000108.5P343 L345 G378P343-I376 HydrophobicContact CB-CG1 3.72Å; P343-I376 HydrophobicContact CG-CD1 4.33Å; P343-I376 HydrophobicContact CG-CG1 3.9Å; L345-I376 HydrophobicContact CD2-CD1 3.79Å; I376-G378 PolarHBondContact O-N 3.18Å
377S49.4Very low56.4Low83 Ų8364.2 Ų64.258%0.5839%0.386SS*.  trans-96.482.9176.859.90000108.9L375 W493L375-S377 PolarHBondContact O-N 2.98Å; S377-W493 PolarHBondContact N-O 2.75Å
378G48Very low55Low37 Ų3765.3 Ų65.338%0.38139%0.389SS..SBendtrans-175.1169.8179.400000110I376I376-G378 PolarHBondContact O-N 3.18Å
379P41.8Very low54.2Low108 Ų10861.8 Ų61.870%0.70138%0.382SS*.SBendtrans-51.3139155.526.1-30.4000106.3
380P43.6Very low53.7Low49 Ų4960.7 Ų60.732%0.31837%0.374SS..  trans-42.1149.5169.94.2-16.1000109.4A382 V384P380-A382 PolarHBondContact O-N 2.75Å; P380-V384 HydrophobicContact CB-CB 3.45Å; P380-V384 VanDerWaalsContact CB-CB 3.45Å; P380-V384 HydrophobicContact CB-CG1 3.65Å; P380-V384 WeakPolarHBondContact CB-O 3.29Å; P380-V384 WeakPolarHBondContact CG-O 3.31Å
381P46.7Very low53.8Low64 Ų6462.1 Ų62.142%0.41638%0.382SS..  trans-41.6137.8166.6-17.321.4000107.2H383 V384P381-H383 CarbonylContact O-C 3.3Å; P381-H383 PolarHBondContact O-N 3.1Å; P381-V384 HydrophobicContact CB-CG2 4.1Å; P381-V384 HydrophobicContact CG-CB 4.47Å; P381-V384 HydrophobicContact CG-CG2 3.88Å; P381-V384 WeakPolarHBondContact O-CB 3.41Å; P381-V384 PolarHBondContact O-N 2.99Å
382A44.1Very low54.5Low100 Ų10062.1 Ų62.183%0.82638%0.382SS*.THydrogen-bonded Turntrans-50.9-5.3-165.500000116.4P380P380-A382 PolarHBondContact O-N 2.75Å
383H42.1Very low55.4Low155 Ų15556.5 Ų56.572%0.71836%0.361SS*.THydrogen-bonded Turntrans-11112.6177.4-58.2-60.2000115.4P381P381-H383 CarbonylContact O-C 3.3Å; P381-H383 PolarHBondContact O-N 3.1Å
384V38.1Very low56.5Low16 Ų1653.2 Ų53.210%0.09734%0.344CS..SBendtrans-116.7123-176.2175.40000109.9P380 P381 F388P380-V384 HydrophobicContact CB-CB 3.45Å; P380-V384 VanDerWaalsContact CB-CB 3.45Å; P380-V384 HydrophobicContact CB-CG1 3.65Å; P380-V384 WeakPolarHBondContact CB-O 3.29Å; P380-V384 WeakPolarHBondContact CG-O 3.31Å; P381-V384 HydrophobicContact CB-CG2 4.1Å; P381-V384 HydrophobicContact CG-CB 4.47Å; P381-V384 HydrophobicContact CG-CG2 3.88Å; P381-V384 WeakPolarHBondContact O-CB 3.41Å; P381-V384 PolarHBondContact O-N 2.99Å; V384-F388 HydrophobicContact CB-CE2 4.44Å; V384-F388 HydrophobicContact CG1-CD1 4.24Å; V384-F388 HydrophobicContact CG1-CD2 3.14Å; V384-F388 HydrophobicContact CG1-CE1 4.23Å; V384-F388 HydrophobicContact CG1-CE2 3.14Å; V384-F388 HydrophobicContact CG1-CG 3.73Å; V384-F388 HydrophobicContact CG1-CZ 3.7Å
385P36.3Very low57.5Low52 Ų5253.5 Ų53.534%0.33835%0.345SS..  trans-67.2158.1-173.721.5-31000113.7S387 F388P385-S387 PolarHBondContact O-N 3.13Å; P385-F388 HydrophobicContact CG-CD2 4.43Å; P385-F388 HydrophobicContact CG-CE2 4.17Å; P385-F388 VanDerWaalsContact O-CD2 3.31Å; P385-F388 WeakPolarHBondContact O-CD2 3.44Å; P385-F388 PolarHBondContact O-N 2.83Å
386P39Very low58.7Low131 Ų13153.7 Ų53.785%0.85134%0.344SS*.THydrogen-bonded Turntrans-66.3-2.2-179.925.2-33.4000115.1F388P386-F388 PolarHBondContact O-N 3.14Å
387S43.2Very low60.2Low63 Ų6353 Ų5344%0.44134%0.339SS..THydrogen-bonded Turntrans-77.91.4175.956.40000114.2P385 G389P385-S387 PolarHBondContact O-N 3.13Å; S387-G389 PolarHBondContact O-N 3.36Å
388F46.9Very low62.3Low48 Ų4851.4 Ų51.421%0.21132%0.323CS..  trans-71.884.3168.4-79.3-97.6000109.5L345 V384 P385 P386L345-F388 HydrophobicContact CB-CD1 4.44Å; L345-F388 HydrophobicContact CB-CE1 4.05Å; L345-F388 VanDerWaalsContact O-CD1 3.32Å; L345-F388 WeakPolarHBondContact O-CD1 3.32Å; V384-F388 HydrophobicContact CB-CE2 4.44Å; V384-F388 HydrophobicContact CG1-CD1 4.24Å; V384-F388 HydrophobicContact CG1-CD2 3.14Å; V384-F388 HydrophobicContact CG1-CE1 4.23Å; V384-F388 HydrophobicContact CG1-CE2 3.14Å; V384-F388 HydrophobicContact CG1-CG 3.73Å; V384-F388 HydrophobicContact CG1-CZ 3.7Å; P385-F388 HydrophobicContact CG-CD2 4.43Å; P385-F388 HydrophobicContact CG-CE2 4.17Å; P385-F388 VanDerWaalsContact O-CD2 3.31Å; P385-F388 WeakPolarHBondContact O-CD2 3.44Å; P385-F388 PolarHBondContact O-N 2.83Å; P386-F388 PolarHBondContact O-N 3.14Å
389G57.8Low64.5Low34 Ų3449.8 Ų49.835%0.35131%0.305SS..SBendtrans-139.1162.218000000111S387 V391S387-G389 PolarHBondContact O-N 3.36Å; G389-V391 PolarHBondContact O-N 3.48Å; G389-V391 VanDerWaalsContact O-N 3.1Å
390S65.6Low66.8Low31 Ų3145.6 Ų45.622%0.21728%0.282CS..EExtended strand (participates in β ladder)trans-63110.5174.6167.80000112.7Y347 V367 V392Y347-S390 WeakPolarHBondContact CE2-OG 3.26Å; Y347-S390 WeakPolarHBondContact OH-CB 3.37Å; Y347-S390 PolarHBondContact OH-OG 2.71Å; V367-S390 WeakPolarHBondContact CG1-OG 2.94Å; V367-S390 WeakPolarHBondContact CG2-OG 3.14Å; S390-V392 PolarHBondContact O-N 3.37Å
391V79.6Confident69Low29 Ų2946.5 Ų46.518%0.17628%0.282CS..EExtended strand (participates in β ladder)trans-65.8100163.1-1290000115.8D271 Y347 L348 S349 G389 R393D271-V391 HydrophobicContact CB-CG2 4.49Å; D271-V391 WeakPolarHBondContact OD2-CB 3.49Å; D271-V391 WeakPolarHBondContact OD2-CG2 3.26Å; Y347-V391 PolarHBondContact O-N 3.05Å; Y347-V391 VanDerWaalsContact O-N 3.13Å; L348-V391 HydrophobicContact CD1-CB 3.96Å; L348-V391 HydrophobicContact CD1-CG1 4.35Å; S349-V391 PolarHBondContact N-O 3.35Å; G389-V391 PolarHBondContact O-N 3.48Å; G389-V391 VanDerWaalsContact O-N 3.1Å; V391-R393 HydrophobicContact CG1-CG 4.08Å
392V86.2Confident71.2Confident7 Ų743.4 Ų43.44%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-114.1115.1165.6-1790000110.9L351 V360 F366 V367 S390L351-V392 HydrophobicContact CD1-CG1 3.8Å; V360-V392 HydrophobicContact CG2-CG1 4.29Å; F366-V392 HydrophobicContact CD1-CG2 4.31Å; V367-V392 HydrophobicContact CG2-CB 4.46Å; V367-V392 HydrophobicContact CG2-CG2 3.31Å; S390-V392 PolarHBondContact O-N 3.37Å
393R90.1Very high73.6Confident14 Ų1439.7 Ų39.75%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-123.1162.8174.1-54.9-173.3-170.8166.212109.6T250 D261 S267 D271 L348 S349 V350 L351 V391T250-R393 HydrophobicContact CG2-CB 4.01Å; D261-R393 IonicContact OD2-CZ 2.64Å; D261-R393 IonicContact OD2-NH1 2.75Å; D261-R393 PolarHBondContact OD2-NH1 3.33Å; S267-R393 VanDerWaalsContact CB-NH1 3.29Å; S267-R393 PolarHBondContact O-NH2 3.01Å; D271-R393 VanDerWaalsContact CG-NH2 3.33Å; D271-R393 IonicContact OD1-NH2 2.78Å; D271-R393 IonicContact OD2-CZ 2.68Å; D271-R393 IonicContact OD2-NE 3.63Å; D271-R393 IonicContact OD2-NH2 3.17Å; D271-R393 PolarHBondContact OD2-NH2 3.15Å; L348-R393 HydrophobicContact CD1-CG 4.06Å; S349-R393 PolarHBondContact O-N 3.02Å; V350-R393 CarbonylContact C-O 3.51Å; V350-R393 VanDerWaalsContact CA-O 3.28Å; V350-R393 WeakPolarHBondContact CA-O 3.42Å; V350-R393 HydrophobicContact CG2-CB 4.46Å; L351-R393 PolarHBondContact N-O 3.44Å; V391-R393 HydrophobicContact CG1-CG 4.08Å
394G90.7Very high76.1Confident0 Ų035.5 Ų35.50%021%0.207CC..EExtended strand (participates in β ladder)trans180178.4174.800000115.8I251 L351I251-G394 PolarHBondContact N-O 3.02Å; I251-G394 PolarHBondContact O-N 2.94Å; L351-G394 CarbonylContact O-C 3.42Å; L351-G394 WeakPolarHBondContact O-CA 3.19Å
395H92.1Very high78.9Confident11 Ų1134.7 Ų34.75%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-151.6140.9179.1-161.6-86.7000110.1Y42 L351 R352 G353 A356 R397Y42-H395 AromaticContact CD2-CD2 3.87Å; Y42-H395 AromaticContact CD2-CE1 3.83Å; Y42-H395 AromaticContact CD2-CG 3.95Å; Y42-H395 AromaticContact CD2-ND1 3.9Å; Y42-H395 AromaticContact CD2-NE2 3.82Å; L351-H395 PolarHBondContact O-N 3.48Å; R352-H395 WeakPolarHBondContact CA-O 3.28Å; G353-H395 PolarHBondContact N-O 2.87Å; A356-H395 WeakPolarHBondContact CB-O 3.44Å; H395-R397 WeakPolarHBondContact ND1-CB 3.31Å; H395-R397 PolarHBondContact ND1-N 3.48Å; H395-R397 PolarHBondContact O-N 2.89Å
396H91.8Very high81.7Confident60 Ų6032.2 Ų32.228%0.27819%0.186SC..SBendtrans-66-22.3179.655.9-89.9000113.4T38 D39 G353 H398T38-H396 PolarHBondContact OG1-CE1 3.25Å; T38-H396 PolarHBondContact OG1-NE2 2.78Å; D39-H396 IonicContact OD1-NE2 3.83Å; G353-H396 CarbonylContact C-O 3.48Å; G353-H396 VanDerWaalsContact C-O 3.25Å; G353-H396 VanDerWaalsContact CA-O 3.26Å; G353-H396 WeakPolarHBondContact CA-O 3.41Å; G353-H396 WeakPolarHBondContact O-CA 3.44Å; H396-H398 PolarHBondContact O-N 2.97Å
397R91.6Very high84.4Confident20 Ų2026 Ų268%0.07515%0.146CC..SBendtrans-64.8132.7177-166.5-179.3-173.5-76.70.4111D26 G353 H395D26-R397 PolarHBondContact O-NH1 2.88Å; D26-R397 PolarHBondContact O-NH2 2.95Å; D26-R397 IonicContact OD1-CZ 3.79Å; D26-R397 IonicContact OD1-NH1 3.71Å; D26-R397 PolarHBondContact OD1-NH1 3.4Å; D26-R397 IonicContact OD2-NH1 2.74Å; G353-R397 PolarHBondContact N-O 2.96Å; H395-R397 WeakPolarHBondContact ND1-CB 3.31Å; H395-R397 PolarHBondContact ND1-N 3.48Å; H395-R397 PolarHBondContact O-N 2.89Å
398H92.7Very high86.7Confident51 Ų5123.2 Ų23.224%0.23613%0.126CC..  trans-62.3148.6173.3-61.8-178.3000110.7D354 H396 Y402D354-H398 IonicContact OD1-CD2 3.32Å; D354-H398 IonicContact OD1-CE1 3.64Å; D354-H398 IonicContact OD1-NE2 2.81Å; D354-H398 PolarHBondContact OD1-NE2 3.33Å; D354-H398 IonicContact OD2-NE2 2.73Å; H396-H398 PolarHBondContact O-N 2.97Å; H398-Y402 WeakPolarHBondContact CB-O 3.23Å
399F94.1Very high88.9Confident2 Ų221 Ų211%0.00912%0.116CC..BIsolated β-bridgetrans-126132.2175.1-175.4-98.5000109.6T22 D26 H241 A244 Q248 R352 E401 Y402 F407T22-F399 HydrophobicContact CG2-CZ 4.17Å; D26-F399 HydrophobicContact CB-CD2 4.16Å; D26-F399 HydrophobicContact CB-CE2 3.88Å; D26-F399 VanDerWaalsContact CG-CD2 3.42Å; D26-F399 WeakPolarHBondContact OD1-CD2 3.06Å; H241-F399 AromaticContact CE1-CD1 3.53Å; H241-F399 AromaticContact CE1-CE1 3.52Å; H241-F399 AromaticContact ND1-CD1 3.81Å; H241-F399 AromaticContact ND1-CE1 3.3Å; H241-F399 VanDerWaalsContact ND1-CE1 3.3Å; H241-F399 WeakPolarHBondContact ND1-CE1 3.22Å; H241-F399 WeakPolarHBondContact O-CE1 3.07Å; A244-F399 HydrophobicContact CB-CE2 4.28Å; A244-F399 HydrophobicContact CB-CZ 3.72Å; Q248-F399 HydrophobicContact CG-CD2 4.37Å; Q248-F399 HydrophobicContact CG-CE2 3.91Å; R352-F399 HydrophobicContact CB-CB 3.87Å; R352-F399 HydrophobicContact CG-CB 3.97Å; F399-E401 VanDerWaalsContact C-N 3.25Å; F399-E401 PolarHBondContact O-N 3.27Å; F399-Y402 WeakPolarHBondContact O-CD2 3.23Å; F399-Y402 PolarHBondContact O-N 2.94Å; F399-F407 HydrophobicContact CD1-CE1 4.4Å; F399-F407 AromaticContact CD1-CE2 3.88Å; F399-F407 HydrophobicContact CD1-CE2 3.88Å; F399-F407 AromaticContact CD1-CZ 3.45Å; F399-F407 HydrophobicContact CD1-CZ 3.45Å; F399-F407 VanDerWaalsContact CD1-CZ 3.45Å; F399-F407 HydrophobicContact CE1-CE1 4.3Å; F399-F407 HydrophobicContact CE1-CE2 4.47Å; F399-F407 AromaticContact CE1-CZ 3.77Å; F399-F407 HydrophobicContact CE1-CZ 3.77Å; F399-F407 HydrophobicContact CG-CZ 4.46Å
400G90.7Very high90.5Very high21 Ų2119.3 Ų19.322%0.21610%0.099CC..THydrogen-bonded Turntrans61.227.5179.500000115.5R294 Y402R294-G400 WeakPolarHBondContact CD-O 3.43Å; R294-G400 PolarHBondContact NH1-O 3.03Å; G400-Y402 PolarHBondContact O-N 3.15Å
401E89.8Confident91.6Very high67 Ų6717.9 Ų17.931%0.3139%0.089SC..THydrogen-bonded Turntrans68.46.1-175.7-49.8-167.9131.200116.3R294 K295 F399R294-E401 HydrophobicContact CB-CB 4.33Å; K295-E401 WeakPolarHBondContact CE-OE1 3.37Å; K295-E401 WeakPolarHBondContact CE-OE2 3.41Å; K295-E401 HydrophobicContact CG-CB 4.17Å; K295-E401 IonicContact NZ-OE1 3.41Å; K295-E401 PolarHBondContact NZ-OE1 3.4Å; K295-E401 IonicContact NZ-OE2 3.48Å; K295-E401 PolarHBondContact NZ-OE2 3.2Å; F399-E401 VanDerWaalsContact C-N 3.25Å; F399-E401 PolarHBondContact O-N 3.27Å
402Y93.4Very high91.8Very high0 Ų016.5 Ų16.50%08%0.081CC..BIsolated β-bridgetrans-77.6134.7172.5-64.3-78.4000111.1H241 P287 M289 R294 C297 H398 F399 G400 R404H241-Y402 AromaticContact CE1-CE2 3.68Å; H241-Y402 AromaticContact NE2-CE2 3.71Å; P287-Y402 HydrophobicContact CG-CD1 3.78Å; P287-Y402 HydrophobicContact CG-CE1 3.9Å; M289-Y402 HydrophobicContact CB-CE1 4.34Å; M289-Y402 PolarHBondContact N-OH 3.15Å; M289-Y402 PolarHBondContact O-OH 2.85Å; M289-Y402 VanDerWaalsContact O-OH 3.09Å; R294-Y402 HydrophobicContact CB-CD1 3.77Å; R294-Y402 HydrophobicContact CB-CE1 3.64Å; R294-Y402 HydrophobicContact CB-CE2 4.45Å; R294-Y402 HydrophobicContact CB-CG 4.25Å; R294-Y402 WeakPolarHBondContact CD-OH 3.39Å; R294-Y402 HydrophobicContact CG-CD1 4.16Å; R294-Y402 HydrophobicContact CG-CE1 3.51Å; R294-Y402 HydrophobicContact CG-CE2 4.06Å; R294-Y402 VanDerWaalsContact CG-CZ 3.46Å; R294-Y402 PolarHBondContact NE-OH 3.11Å; R294-Y402 VanDerWaalsContact NE-OH 3.17Å; C297-Y402 HydrophobicContact CB-CD1 4.47Å; H398-Y402 WeakPolarHBondContact CB-O 3.23Å; F399-Y402 WeakPolarHBondContact O-CD2 3.23Å; F399-Y402 PolarHBondContact O-N 2.94Å; G400-Y402 PolarHBondContact O-N 3.15Å; Y402-R404 VanDerWaalsContact C-N 3.25Å; Y402-R404 PolarHBondContact O-N 2.89Å
403P94Very high91.6Very high22 Ų2216.5 Ų16.514%0.1438%0.083CC..SBendtrans-65.6-32172.526-32.8000111.7R294 C297 G353 D354R294-P403 VanDerWaalsContact O-CD 3.28Å; R294-P403 WeakPolarHBondContact O-CD 3.19Å; C297-P403 HydrophobicContact CB-CG 4.35Å; C297-P403 WeakPolarHBondContact O-CG 3.38Å; G353-P403 CarbonylContact C-O 3.57Å; G353-P403 VanDerWaalsContact CA-O 3.3Å; G353-P403 WeakPolarHBondContact CA-O 3.4Å; D354-P403 PolarHBondContact N-O 3.47Å
404R95.3Very high90.9Very high66 Ų6616 Ų1625%0.2498%0.081CC..EExtended strand (participates in β ladder)trans-142.5132173.1-60.1-179.6-166.293.312.6109.5P287 E299 W301 L304 R352 D354 Y402P287-R404 WeakPolarHBondContact CD-O 3.34Å; E299-R404 PolarHBondContact O-NH1 3.43Å; W301-R404 HydrophobicContact CH2-CB 4.17Å; W301-R404 HydrophobicContact CZ2-CB 3.98Å; W301-R404 HydrophobicContact CZ2-CG 3.95Å; L304-R404 HydrophobicContact CD1-CB 3.98Å; R352-R404 CarbonylContact O-C 3.53Å; R352-R404 WeakPolarHBondContact O-CA 3.36Å; D354-R404 HydrophobicContact CB-CG 4.45Å; Y402-R404 VanDerWaalsContact C-N 3.25Å; Y402-R404 PolarHBondContact O-N 2.89Å
405S95.4Very high90.1Very high0 Ų017.3 Ų17.30%09%0.09CC..EExtended strand (participates in β ladder)trans-143.1142.6173.354.10000110.6L286 W301 R352L286-S405 CarbonylContact O-C 3.56Å; L286-S405 WeakPolarHBondContact O-CA 3.29Å; W301-S405 WeakPolarHBondContact CH2-O 3.13Å; R352-S405 WeakPolarHBondContact CB-OG 3Å; R352-S405 PolarHBondContact N-O 3.39Å; R352-S405 PolarHBondContact O-N 2.85Å
406L95.1Very high89.2Confident0 Ų020.3 Ų20.30%010%0.101CC..EExtended strand (participates in β ladder)trans-121.7121.2-178.3173.561.7000108.3C285 L286 W301 L304 A308 L351 F366 L370 V408C285-L406 CarbonylContact C-O 3.56Å; C285-L406 WeakPolarHBondContact CA-O 3.36Å; L286-L406 PolarHBondContact N-O 3.1Å; L286-L406 PolarHBondContact O-N 2.99Å; W301-L406 HydrophobicContact CZ3-CB 4.36Å; L304-L406 HydrophobicContact CB-CB 4.32Å; L304-L406 HydrophobicContact CB-CD2 4.07Å; L304-L406 HydrophobicContact CD1-CB 4.39Å; A308-L406 HydrophobicContact CB-CD2 3.65Å; L351-L406 HydrophobicContact CD1-CD1 3.87Å; L351-L406 HydrophobicContact CG-CD1 4.14Å; F366-L406 HydrophobicContact CE1-CD1 4.31Å; F366-L406 HydrophobicContact CZ-CD1 4.12Å; F366-L406 HydrophobicContact CZ-CD2 4.21Å; L370-L406 HydrophobicContact CD1-CD2 4.04Å; L406-V408 HydrophobicContact CD1-CG2 4.21Å; L406-V408 HydrophobicContact CD2-CG2 4.29Å; L406-V408 HydrophobicContact CG-CG2 3.95Å
407F95.5Very high88Confident1 Ų117.9 Ų17.90%0.0049%0.09CC..EExtended strand (participates in β ladder)trans-106.4132.8172.8-59-88.6000108.7H241 I246 R284 C285 S349 V350 R352 F399H241-F407 AromaticContact CD2-CE1 3.77Å; H241-F407 AromaticContact CE1-CZ 3.87Å; H241-F407 AromaticContact NE2-CE1 3.68Å; H241-F407 AromaticContact NE2-CZ 3.58Å; H241-F407 VanDerWaalsContact O-CE1 3.26Å; H241-F407 WeakPolarHBondContact O-CE1 3.31Å; I246-F407 HydrophobicContact CD1-CB 4.44Å; I246-F407 HydrophobicContact CG1-CB 3.74Å; I246-F407 HydrophobicContact CG1-CG 4.49Å; R284-F407 WeakPolarHBondContact O-CA 3.32Å; C285-F407 HydrophobicContact CB-CD1 3.63Å; C285-F407 HydrophobicContact CB-CE1 3.61Å; S349-F407 CarbonylContact C-O 3.51Å; S349-F407 WeakPolarHBondContact CA-O 3.21Å; V350-F407 HydrophobicContact CB-CB 4.25Å; V350-F407 PolarHBondContact N-O 3.22Å; V350-F407 PolarHBondContact O-N 3.11Å; R352-F407 HydrophobicContact CG-CD2 4.07Å; R352-F407 HydrophobicContact CG-CE2 3.86Å; F399-F407 HydrophobicContact CD1-CE1 4.4Å; F399-F407 AromaticContact CD1-CE2 3.88Å; F399-F407 HydrophobicContact CD1-CE2 3.88Å; F399-F407 AromaticContact CD1-CZ 3.45Å; F399-F407 HydrophobicContact CD1-CZ 3.45Å; F399-F407 VanDerWaalsContact CD1-CZ 3.45Å; F399-F407 HydrophobicContact CE1-CE1 4.3Å; F399-F407 HydrophobicContact CE1-CE2 4.47Å; F399-F407 AromaticContact CE1-CZ 3.77Å; F399-F407 HydrophobicContact CE1-CZ 3.77Å; F399-F407 HydrophobicContact CG-CZ 4.46Å
408V93Very high86.6Confident4 Ų421.6 Ų21.62%0.02411%0.112CC..EExtended strand (participates in β ladder)trans-125.9125.4-179.5-178.80000108.9L283 R284 A308 L312 L348 L406L283-V408 CarbonylContact C-O 3.3Å; L283-V408 WeakPolarHBondContact CA-O 3.34Å; R284-V408 HydrophobicContact CB-CB 4.42Å; R284-V408 PolarHBondContact N-O 2.83Å; R284-V408 PolarHBondContact O-N 3.49Å; A308-V408 HydrophobicContact CB-CG2 4.16Å; L312-V408 HydrophobicContact CD1-CG1 4.31Å; L312-V408 HydrophobicContact CD2-CG1 4.16Å; L348-V408 CarbonylContact O-C 3.52Å; L348-V408 WeakPolarHBondContact O-CA 3.21Å; L406-V408 HydrophobicContact CD1-CG2 4.21Å; L406-V408 HydrophobicContact CD2-CG2 4.29Å; L406-V408 HydrophobicContact CG-CG2 3.95Å
409A93.2Very high84.7Confident0 Ų024.3 Ų24.30%013%0.128CC..EExtended strand (participates in β ladder)trans-109135.4165.600000109.2I246 Y268 L272 R282 L283 Y347 L348I246-A409 HydrophobicContact CD1-CB 4.01Å; Y268-A409 HydrophobicContact CE2-CB 3.56Å; L272-A409 HydrophobicContact CD1-CB 3.5Å; L272-A409 VanDerWaalsContact CD1-CB 3.5Å; R282-A409 WeakPolarHBondContact O-CA 3.39Å; L283-A409 HydrophobicContact CD2-CB 3.57Å; Y347-A409 CarbonylContact C-O 3.51Å; Y347-A409 VanDerWaalsContact CA-O 3.29Å; Y347-A409 WeakPolarHBondContact CA-O 3.41Å; L348-A409 HydrophobicContact CB-CB 4.34Å; L348-A409 PolarHBondContact N-O 3.37Å; L348-A409 PolarHBondContact O-N 2.91Å
410S90.8Very high82.8Confident0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-137.7142.8-176.963.80000111.4T281 R282 R284T281-S410 WeakPolarHBondContact CA-O 3.32Å; R282-S410 PolarHBondContact N-O 3.22Å; R282-S410 PolarHBondContact O-N 2.9Å; R284-S410 PolarHBondContact NH1-OG 3.45Å
411N89.2Confident80.7Confident0 Ų031.4 Ų31.40%017%0.172CC..EExtended strand (participates in β ladder)trans-111.4139.7166.8-170.5-2000109.8L272 Y278 I280 T281 L345 S346 Y488L272-N411 PolarHBondContact O-ND2 3.21Å; Y278-N411 PolarHBondContact O-ND2 3.04Å; I280-N411 PolarHBondContact O-OD1 3.38Å; T281-N411 HydrophobicContact CG2-CB 4.49Å; L345-N411 HydrophobicContact CB-CB 4.4Å; L345-N411 PolarHBondContact N-O 2.88Å; S346-N411 PolarHBondContact O-N 2.89Å; S346-N411 VanDerWaalsContact OG-CB 3.3Å; S346-N411 WeakPolarHBondContact OG-CB 3.35Å; N411-Y488 WeakPolarHBondContact OD1-CE1 3.44Å; N411-Y488 PolarHBondContact OD1-OH 2.83Å
412G84.1Confident78.9Confident1 Ų131.9 Ų31.91%0.0118%0.179CC..EExtended strand (participates in β ladder)trans69.3-160-172.300000112.6R282R282-G412 PolarHBondContact NH2-O 3.17Å
413G81.1Confident77.5Confident7 Ų734.7 Ų34.77%0.07220%0.203CC..EExtended strand (participates in β ladder)trans70.1154-171.200000113.6R282 P343R282-G413 PolarHBondContact NH2-O 3.09Å; P343-G413 WeakPolarHBondContact O-CA 3.26Å; P343-G413 PolarHBondContact O-N 3.35Å
414G75.8Confident76.1Confident2 Ų240.7 Ų40.72%0.02123%0.229CC..EExtended strand (participates in β ladder)trans148.1-172.1-176.800000112.2R341 L342 D439R341-G414 WeakPolarHBondContact CA-O 3.03Å; R341-G414 WeakPolarHBondContact CD-O 3.38Å; L342-G414 PolarHBondContact N-O 2.62Å; G414-D439 VanDerWaalsContact CA-OD2 3.28Å; G414-D439 WeakPolarHBondContact CA-OD2 3.29Å
415S73.3Confident74.7Confident28 Ų2842 Ų4220%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-84.4140.2175.6-49.40000110R341 I417 D439R341-S415 PolarHBondContact NH1-OG 3.37Å; S415-I417 WeakPolarHBondContact O-CG1 3.35Å; S415-I417 PolarHBondContact O-N 2.88Å; S415-I417 VanDerWaalsContact O-N 3.15Å; S415-D439 PolarHBondContact N-OD2 3.31Å; S415-D439 VanDerWaalsContact N-OD2 3.13Å
416R72.2Confident73.9Confident75 Ų7545.3 Ų45.328%0.28326%0.262SS..  trans-71.2108.4165.3-83.3179.8170-145.4-6.2108.7E338 N339 S340 R341 L342 L491E338-R416 WeakPolarHBondContact O-CD 3.32Å; E338-R416 PolarHBondContact O-NE 3.03Å; E338-R416 VanDerWaalsContact O-NE 3.11Å; E338-R416 PolarHBondContact O-NH1 3.03Å; N339-R416 WeakPolarHBondContact O-CD 3.41Å; S340-R416 PolarHBondContact O-N 3.48Å; R341-R416 PolarHBondContact O-NE 2.79Å; L342-R416 HydrophobicContact CD2-CG 3.66Å; L342-R416 HydrophobicContact CG-CG 4.01Å; R416-L491 PolarHBondContact NH2-O 3.42Å
417I66.8Low73.2Confident8 Ų850.4 Ų50.44%0.04128%0.281CS..  trans-79.1-32.2-174.6-60.6-173.3000111.7S415 N419 V420 F430 W431 S441 A442S415-I417 WeakPolarHBondContact O-CG1 3.35Å; S415-I417 PolarHBondContact O-N 2.88Å; S415-I417 VanDerWaalsContact O-N 3.15Å; I417-N419 PolarHBondContact O-N 2.99Å; I417-V420 PolarHBondContact O-N 3.29Å; I417-F430 HydrophobicContact CB-CE1 4.13Å; I417-F430 HydrophobicContact CG1-CE1 4.04Å; I417-F430 HydrophobicContact CG2-CD1 4.07Å; I417-F430 HydrophobicContact CG2-CE1 3.81Å; I417-W431 VanDerWaalsContact CG2-CD1 3.49Å; I417-S441 WeakPolarHBondContact CD1-OG 3.3Å; I417-A442 HydrophobicContact CD1-CB 3.52Å
418D62.2Low72.7Confident98 Ų9853.2 Ų53.252%0.52429%0.293SS..THydrogen-bonded Turntrans-76.7-6.5-166.6-58.8-29.9000114.1V420 K445D418-V420 VanDerWaalsContact C-N 3.31Å; D418-V420 PolarHBondContact O-N 2.82Å; D418-K445 IonicContact OD1-NZ 3.46Å; D418-K445 PolarHBondContact OD1-NZ 3.16Å; D418-K445 IonicContact OD2-NZ 3.77Å
419N53Low72.4Confident109 Ų10959.1 Ų59.158%0.58332%0.321SS*.THydrogen-bonded Turntrans-84.31.6176.4-76.9-16.2000114.1N339 I417 S421N339-N419 PolarHBondContact O-ND2 3.12Å; I417-N419 PolarHBondContact O-N 2.99Å; N419-S421 PolarHBondContact O-N 2.91Å
420V53.8Low72Confident55 Ų5562.3 Ų62.333%0.33334%0.335SS..  trans-86.192177.6-1760000109.9I417 D418 T422 F430I417-V420 PolarHBondContact O-N 3.29Å; D418-V420 VanDerWaalsContact C-N 3.31Å; D418-V420 PolarHBondContact O-N 2.82Å; V420-T422 WeakPolarHBondContact CG1-OG1 3.29Å; V420-T422 PolarHBondContact O-N 3.2Å; V420-T422 VanDerWaalsContact O-N 3.07Å; V420-F430 HydrophobicContact CG2-CD1 4.48Å; V420-F430 HydrophobicContact CG2-CD2 4.24Å; V420-F430 HydrophobicContact CG2-CE1 4.24Å; V420-F430 HydrophobicContact CG2-CE2 3.96Å; V420-F430 HydrophobicContact CG2-CG 4.49Å; V420-F430 HydrophobicContact CG2-CZ 3.96Å
421S46.9Very low71.8Confident117 Ų11764.5 Ų64.582%0.81834%0.343SS*.  trans-76.278.9175.665.60000111.7N419N419-S421 PolarHBondContact O-N 2.91Å
422T52.8Low71.8Confident76 Ų7667.6 Ų67.647%0.46636%0.358SS..  trans-153.8170.5174.945.30000112.5V420 D426V420-T422 WeakPolarHBondContact CG1-OG1 3.29Å; V420-T422 PolarHBondContact O-N 3.2Å; V420-T422 VanDerWaalsContact O-N 3.07Å; T422-D426 WeakPolarHBondContact CB-OD2 3.34Å; T422-D426 WeakPolarHBondContact OG1-CB 3.35Å
423A62.8Low71.9Confident59 Ų5970.8 Ų70.849%0.48838%0.38SS..  trans-58.9166.4-166.700000114.1T425 D426 R427A423-T425 VanDerWaalsContact C-N 3.25Å; A423-T425 PolarHBondContact O-N 2.77Å; A423-D426 PolarHBondContact N-OD2 3.16Å; A423-D426 WeakPolarHBondContact O-CB 3.34Å; A423-D426 PolarHBondContact O-N 3.36Å; A423-R427 PolarHBondContact O-N 2.87Å; A423-R427 VanDerWaalsContact O-N 3.11Å
424E64.7Low72.1Confident149 Ų14970.8 Ų70.870%0.69638%0.38SS*.Hα-helixtrans-50.2-41.6179.2-88.2177.5-176.700114.4R427 K428E424-R427 PolarHBondContact O-N 3.34Å; E424-R427 IonicContact OE1-NH2 3.5Å; E424-K428 PolarHBondContact O-N 2.59Å
425T67.3Low72.7Confident93 Ų9370.7 Ų70.757%0.57138%0.379SS*.Hα-helixtrans-64-43.2179-39.10000111.6A423 R427 K428 E429A423-T425 VanDerWaalsContact C-N 3.25Å; A423-T425 PolarHBondContact O-N 2.77Å; T425-R427 VanDerWaalsContact C-N 3.3Å; T425-R427 PolarHBondContact O-N 2.76Å; T425-K428 PolarHBondContact O-N 2.94Å; T425-E429 PolarHBondContact O-N 3.49Å
426D76.9Confident73.3Confident69 Ų6971.1 Ų71.137%0.36938%0.382SS..Hα-helixtrans-64.5-36.8179.1-57-39.1000111T422 A423 F430T422-D426 WeakPolarHBondContact CB-OD2 3.34Å; T422-D426 WeakPolarHBondContact OG1-CB 3.35Å; A423-D426 PolarHBondContact N-OD2 3.16Å; A423-D426 WeakPolarHBondContact O-CB 3.34Å; A423-D426 PolarHBondContact O-N 3.36Å; D426-F430 VanDerWaalsContact O-CB 3.25Å; D426-F430 WeakPolarHBondContact O-CB 3.39Å; D426-F430 PolarHBondContact O-N 3.25Å
427R82Confident73.9Confident108 Ų10871.7 Ų71.741%0.40839%0.39SS..Hα-helixtrans-63.4-43.6175.7-67.7-170-69.3-174.1-1.6112.5A423 E424 T425 F430 W431A423-R427 PolarHBondContact O-N 2.87Å; A423-R427 VanDerWaalsContact O-N 3.11Å; E424-R427 PolarHBondContact O-N 3.34Å; E424-R427 IonicContact OE1-NH2 3.5Å; T425-R427 VanDerWaalsContact C-N 3.3Å; T425-R427 PolarHBondContact O-N 2.76Å; R427-F430 PolarHBondContact O-N 2.76Å; R427-W431 VanDerWaalsContact O-CG 3.3Å; R427-W431 PolarHBondContact O-N 3.26Å
428K85.4Confident74.7Confident59 Ų5971.4 Ų71.426%0.25739%0.389SS..Hα-helixtrans-64-46.7179.6179.2175-179.7170.10111.8E424 T425 F430 W431 M432 Y446 L449 E453E424-K428 PolarHBondContact O-N 2.59Å; T425-K428 PolarHBondContact O-N 2.94Å; K428-F430 VanDerWaalsContact C-N 3.32Å; K428-W431 PolarHBondContact O-N 2.68Å; K428-M432 VanDerWaalsContact O-CB 3.3Å; K428-M432 WeakPolarHBondContact O-CB 3.29Å; K428-M432 PolarHBondContact O-N 2.76Å; K428-Y446 HydrophobicContact CG-CE2 4.43Å; K428-L449 HydrophobicContact CB-CD2 3.91Å; K428-L449 HydrophobicContact CD-CD2 4.09Å; K428-L449 HydrophobicContact CG-CD2 3.77Å; K428-E453 IonicContact NZ-OE1 2.84Å; K428-E453 PolarHBondContact NZ-OE1 3.24Å; K428-E453 IonicContact NZ-OE2 3.02Å; K428-E453 PolarHBondContact NZ-OE2 3.18Å
429E86.8Confident75.9Confident128 Ų12867.2 Ų67.260%0.59837%0.367SS*.Hα-helixtrans-63.9-39.7177.4-70.1-172.5177.100111.5T425 M432 S433T425-E429 PolarHBondContact O-N 3.49Å; E429-M432 WeakPolarHBondContact O-CB 3.29Å; E429-M432 PolarHBondContact O-N 3.01Å; E429-S433 WeakPolarHBondContact O-CB 3.21Å; E429-S433 PolarHBondContact O-N 2.93Å
430F84.7Confident77.7Confident67 Ų6762.1 Ų62.129%0.29434%0.34SS..Hα-helixtrans-62.2-49.7175.3-176-93.5000112.2I417 V420 D426 R427 K428 M432 S433 A434I417-F430 HydrophobicContact CB-CE1 4.13Å; I417-F430 HydrophobicContact CG1-CE1 4.04Å; I417-F430 HydrophobicContact CG2-CD1 4.07Å; I417-F430 HydrophobicContact CG2-CE1 3.81Å; V420-F430 HydrophobicContact CG2-CD1 4.48Å; V420-F430 HydrophobicContact CG2-CD2 4.24Å; V420-F430 HydrophobicContact CG2-CE1 4.24Å; V420-F430 HydrophobicContact CG2-CE2 3.96Å; V420-F430 HydrophobicContact CG2-CG 4.49Å; V420-F430 HydrophobicContact CG2-CZ 3.96Å; D426-F430 VanDerWaalsContact O-CB 3.25Å; D426-F430 WeakPolarHBondContact O-CB 3.39Å; D426-F430 PolarHBondContact O-N 3.25Å; R427-F430 PolarHBondContact O-N 2.76Å; K428-F430 VanDerWaalsContact C-N 3.32Å; F430-M432 VanDerWaalsContact C-N 3.31Å; F430-M432 PolarHBondContact O-N 3.32Å; F430-S433 PolarHBondContact O-N 3.34Å; F430-A434 WeakPolarHBondContact O-CB 3.17Å; F430-A434 PolarHBondContact O-N 3.34Å
431W86.1Confident79.4Confident47 Ų4759.5 Ų59.518%0.17832%0.324CS..Hα-helixtrans-62.3-39.6176.7-66.2-17.7000112I417 R427 K428 S433 A434 A435 K445 Y446 L449I417-W431 VanDerWaalsContact CG2-CD1 3.49Å; R427-W431 VanDerWaalsContact O-CG 3.3Å; R427-W431 PolarHBondContact O-N 3.26Å; K428-W431 PolarHBondContact O-N 2.68Å; W431-S433 PolarHBondContact O-N 3.46Å; W431-A434 PolarHBondContact O-N 2.87Å; W431-A435 WeakPolarHBondContact O-CB 3.38Å; W431-A435 PolarHBondContact O-N 2.69Å; W431-K445 HydrophobicContact CD2-CB 3.95Å; W431-K445 HydrophobicContact CE3-CB 4.07Å; W431-K445 HydrophobicContact CG-CB 4.45Å; W431-K445 HydrophobicContact CH2-CB 4.39Å; W431-K445 HydrophobicContact CZ2-CB 4.29Å; W431-K445 HydrophobicContact CZ2-CD 4Å; W431-K445 HydrophobicContact CZ3-CB 4.28Å; W431-Y446 HydrophobicContact CB-CD2 4.2Å; W431-L449 HydrophobicContact CE3-CB 4.41Å; W431-L449 HydrophobicContact CE3-CD2 3.92Å; W431-L449 HydrophobicContact CZ3-CB 4.19Å; W431-L449 HydrophobicContact CZ3-CD2 3.95Å
432M88.5Confident81.4Confident64 Ų6454 Ų5432%0.31529%0.285SS..Hα-helixtrans-58.1-48.7174.6-168.8-177175.500111.2T175 R176 K428 E429 F430 S436 Y446T175-M432 HydrophobicContact CG2-CB 4.35Å; T175-M432 HydrophobicContact CG2-CE 3.93Å; T175-M432 HydrophobicContact CG2-CG 3.32Å; T175-M432 HydrophobicContact CG2-SD 4.45Å; R176-M432 HydrophobicContact CG-CE 4.21Å; K428-M432 VanDerWaalsContact O-CB 3.3Å; K428-M432 WeakPolarHBondContact O-CB 3.29Å; K428-M432 PolarHBondContact O-N 2.76Å; E429-M432 WeakPolarHBondContact O-CB 3.29Å; E429-M432 PolarHBondContact O-N 3.01Å; F430-M432 VanDerWaalsContact C-N 3.31Å; F430-M432 PolarHBondContact O-N 3.32Å; M432-S436 WeakPolarHBondContact O-CB 3.49Å; M432-S436 PolarHBondContact O-N 3.24Å; M432-Y446 HydrophobicContact CB-CD2 4.03Å; M432-Y446 HydrophobicContact CB-CE2 3.56Å; M432-Y446 HydrophobicContact CG-CE2 3.83Å
433S87.3Confident83.4Confident68 Ų6850.3 Ų50.348%0.47626%0.263SS..Hα-helixtrans-63.4-48.2179-177.20000111.5E429 F430 W431 S436 L437E429-S433 WeakPolarHBondContact O-CB 3.21Å; E429-S433 PolarHBondContact O-N 2.93Å; F430-S433 PolarHBondContact O-N 3.34Å; W431-S433 PolarHBondContact O-N 3.46Å; S433-S436 PolarHBondContact O-N 2.8Å; S433-S436 PolarHBondContact O-OG 3.26Å; S433-L437 PolarHBondContact O-N 3.1Å
434A85.4Confident84.9Confident8 Ų847.5 Ų47.57%0.06624%0.24CC..Hα-helixtrans-67.4-36.5179.600000112.8F430 W431 S436 L437 G438 D439 A442F430-A434 WeakPolarHBondContact O-CB 3.17Å; F430-A434 PolarHBondContact O-N 3.34Å; W431-A434 PolarHBondContact O-N 2.87Å; A434-S436 VanDerWaalsContact C-N 3.34Å; A434-L437 PolarHBondContact O-N 2.86Å; A434-G438 PolarHBondContact O-N 2.99Å; A434-D439 HydrophobicContact CB-CB 4.3Å; A434-D439 WeakPolarHBondContact O-CB 3.13Å; A434-D439 PolarHBondContact O-N 3.1Å; A434-D439 VanDerWaalsContact O-N 3.13Å; A434-A442 HydrophobicContact CB-CB 3.47Å; A434-A442 VanDerWaalsContact CB-CB 3.47Å
435A86.9Confident86.2Confident0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-64.1-38.8173.300000111.7W431 L437 G438 A442W431-A435 WeakPolarHBondContact O-CB 3.38Å; W431-A435 PolarHBondContact O-N 2.69Å; A435-L437 PolarHBondContact O-N 3.27Å; A435-G438 PolarHBondContact O-N 2.88Å; A435-A442 HydrophobicContact CB-CB 4.41Å
436S86.7Confident87.5Confident37 Ų3738.5 Ų38.526%0.25919%0.19SC..Hα-helixtrans-65.4-18.2175.379.20000113.8D211 T212 M432 S433 A434D211-S436 WeakPolarHBondContact CB-O 3.41Å; T212-S436 PolarHBondContact OG1-O 2.89Å; M432-S436 WeakPolarHBondContact O-CB 3.49Å; M432-S436 PolarHBondContact O-N 3.24Å; S433-S436 PolarHBondContact O-N 2.8Å; S433-S436 PolarHBondContact O-OG 3.26Å; A434-S436 VanDerWaalsContact C-N 3.34Å
437L84.4Confident88.3Confident86 Ų8635.7 Ų35.745%0.4518%0.175SC..THydrogen-bonded Turntrans-91.7-1.8172.2-62.9173.4000112.7S433 A434 A435S433-L437 PolarHBondContact O-N 3.1Å; A434-L437 PolarHBondContact O-N 2.86Å; A435-L437 PolarHBondContact O-N 3.27Å
438G84.9Confident89Confident3 Ų330.6 Ų30.63%0.03116%0.156CC..THydrogen-bonded Turntrans79.527.8-179.500000114.7T212 R282 A434 A435 T440T212-G438 PolarHBondContact OG1-N 3.04Å; R282-G438 WeakPolarHBondContact CD-O 3.39Å; R282-G438 PolarHBondContact NH1-O 2.87Å; A434-G438 PolarHBondContact O-N 2.99Å; A435-G438 PolarHBondContact O-N 2.88Å; G438-T440 PolarHBondContact O-N 3.33Å
439D87.5Confident89.4Confident9 Ų929.9 Ų29.95%0.04816%0.155CC..  trans-70.6123168.8-173.5-78.3000110.2G414 S415 A434 S441 A442 S443G414-D439 VanDerWaalsContact CA-OD2 3.28Å; G414-D439 WeakPolarHBondContact CA-OD2 3.29Å; S415-D439 PolarHBondContact N-OD2 3.31Å; S415-D439 VanDerWaalsContact N-OD2 3.13Å; A434-D439 HydrophobicContact CB-CB 4.3Å; A434-D439 WeakPolarHBondContact O-CB 3.13Å; A434-D439 PolarHBondContact O-N 3.1Å; A434-D439 VanDerWaalsContact O-N 3.13Å; D439-S441 PolarHBondContact OD1-N 2.89Å; D439-S441 PolarHBondContact OD1-OG 2.6Å; D439-A442 HydrophobicContact CB-CB 3.85Å; D439-A442 PolarHBondContact OD1-N 3.06Å; D439-S443 VanDerWaalsContact O-CB 3.25Å; D439-S443 WeakPolarHBondContact O-CB 3.39Å; D439-S443 PolarHBondContact O-N 3.43Å; D439-S443 PolarHBondContact O-OG 3.14Å
440T89.6Confident89.8Confident2 Ų227.9 Ų27.91%0.01214%0.142CC..Hα-helixtrans-58.6-52.3-177-62.50000111.5M207 I280 G438 A442 S443 L444 Y488M207-T440 HydrophobicContact CE-CG2 3.83Å; M207-T440 WeakPolarHBondContact CE-OG1 3.24Å; I280-T440 HydrophobicContact CB-CG2 4.37Å; I280-T440 HydrophobicContact CD1-CG2 4.21Å; I280-T440 HydrophobicContact CG2-CG2 3.99Å; G438-T440 PolarHBondContact O-N 3.33Å; T440-A442 PolarHBondContact O-N 2.75Å; T440-S443 PolarHBondContact O-N 3.46Å; T440-L444 HydrophobicContact CG2-CD1 4.18Å; T440-L444 WeakPolarHBondContact O-CG 3.19Å; T440-L444 PolarHBondContact O-N 3.29Å; T440-Y488 HydrophobicContact CG2-CD1 4.13Å; T440-Y488 HydrophobicContact CG2-CD2 4.03Å; T440-Y488 HydrophobicContact CG2-CE1 4.33Å; T440-Y488 HydrophobicContact CG2-CE2 4.24Å; T440-Y488 HydrophobicContact CG2-CG 3.98Å
441S89.9Confident90.3Very high1 Ų124.7 Ų24.71%0.00713%0.128CC..Hα-helixtrans-66-41.5-175.570.40000111.8I417 D439 S443 L444 K445I417-S441 WeakPolarHBondContact CD1-OG 3.3Å; D439-S441 PolarHBondContact OD1-N 2.89Å; D439-S441 PolarHBondContact OD1-OG 2.6Å; S441-S443 VanDerWaalsContact C-N 3.34Å; S441-S443 PolarHBondContact O-N 2.87Å; S441-L444 PolarHBondContact O-N 2.93Å; S441-K445 WeakPolarHBondContact O-CB 3.26Å; S441-K445 WeakPolarHBondContact O-CG 3.37Å; S441-K445 PolarHBondContact O-N 3.11Å
442A89.9Confident90.7Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-63.7-41.4175.500000111.7I417 A434 A435 D439 T440 K445 Y446I417-A442 HydrophobicContact CD1-CB 3.52Å; A434-A442 HydrophobicContact CB-CB 3.47Å; A434-A442 VanDerWaalsContact CB-CB 3.47Å; A435-A442 HydrophobicContact CB-CB 4.41Å; D439-A442 HydrophobicContact CB-CB 3.85Å; D439-A442 PolarHBondContact OD1-N 3.06Å; T440-A442 PolarHBondContact O-N 2.75Å; A442-K445 PolarHBondContact O-N 2.77Å; A442-Y446 WeakPolarHBondContact O-CB 3.4Å; A442-Y446 PolarHBondContact O-N 2.87Å
443S93Very high91Very high0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-61.9-47.4-179.7-59.40000111W172 H209 D439 T440 S441 Y446 V447W172-S443 VanDerWaalsContact CZ2-O 3.32Å; W172-S443 WeakPolarHBondContact CZ2-O 3.32Å; H209-S443 PolarHBondContact NE2-OG 3.01Å; D439-S443 VanDerWaalsContact O-CB 3.25Å; D439-S443 WeakPolarHBondContact O-CB 3.39Å; D439-S443 PolarHBondContact O-N 3.43Å; D439-S443 PolarHBondContact O-OG 3.14Å; T440-S443 PolarHBondContact O-N 3.46Å; S441-S443 VanDerWaalsContact C-N 3.34Å; S441-S443 PolarHBondContact O-N 2.87Å; S443-Y446 PolarHBondContact O-N 3.35Å; S443-V447 WeakPolarHBondContact O-CG1 2.94Å; S443-V447 PolarHBondContact O-N 3.31Å
444L94.5Very high91.4Very high0 Ų025.4 Ų25.40%012%0.121CC..Hα-helixtrans-64.7-47.9177.3-60.6177.1000111.4W172 L190 I280 T440 S441 Y446 V447 S448 V481 I484 A485W172-L444 HydrophobicContact CH2-CD2 4.05Å; W172-L444 HydrophobicContact CZ3-CD2 4.23Å; L190-L444 HydrophobicContact CD1-CD2 3.96Å; I280-L444 HydrophobicContact CD1-CD1 4.14Å; T440-L444 HydrophobicContact CG2-CD1 4.18Å; T440-L444 WeakPolarHBondContact O-CG 3.19Å; T440-L444 PolarHBondContact O-N 3.29Å; S441-L444 PolarHBondContact O-N 2.93Å; L444-Y446 VanDerWaalsContact C-N 3.34Å; L444-Y446 PolarHBondContact O-N 2.98Å; L444-V447 VanDerWaalsContact O-CG1 3.31Å; L444-V447 WeakPolarHBondContact O-CG1 3.28Å; L444-V447 PolarHBondContact O-N 3.33Å; L444-S448 PolarHBondContact O-N 3.5Å; L444-S448 PolarHBondContact O-OG 2.92Å; L444-S448 VanDerWaalsContact O-OG 3.1Å; L444-V481 HydrophobicContact CB-CG1 4.03Å; L444-V481 HydrophobicContact CD2-CG1 3.98Å; L444-V481 HydrophobicContact CG-CG1 4.48Å; L444-I484 HydrophobicContact CD1-CG2 3.94Å; L444-A485 HydrophobicContact CB-CB 3.58Å; L444-A485 HydrophobicContact CD1-CB 4.13Å
445K93.1Very high91.8Very high31 Ų3126.7 Ų26.714%0.13513%0.125CC..Hα-helixtrans-59.7-42.8176.5-72.2179178.9176.50112D418 W431 S441 A442 L449 A485 S489D418-K445 IonicContact OD1-NZ 3.46Å; D418-K445 PolarHBondContact OD1-NZ 3.16Å; D418-K445 IonicContact OD2-NZ 3.77Å; W431-K445 HydrophobicContact CD2-CB 3.95Å; W431-K445 HydrophobicContact CE3-CB 4.07Å; W431-K445 HydrophobicContact CG-CB 4.45Å; W431-K445 HydrophobicContact CH2-CB 4.39Å; W431-K445 HydrophobicContact CZ2-CB 4.29Å; W431-K445 HydrophobicContact CZ2-CD 4Å; W431-K445 HydrophobicContact CZ3-CB 4.28Å; S441-K445 WeakPolarHBondContact O-CB 3.26Å; S441-K445 WeakPolarHBondContact O-CG 3.37Å; S441-K445 PolarHBondContact O-N 3.11Å; A442-K445 PolarHBondContact O-N 2.77Å; K445-L449 WeakPolarHBondContact O-CB 3.42Å; K445-L449 PolarHBondContact O-N 3.49Å; K445-A485 HydrophobicContact CG-CB 4Å; K445-S489 PolarHBondContact NZ-OG 3.14Å
446Y93.6Very high92.2Very high22 Ų2230.1 Ų30.19%0.08615%0.153CC..Hα-helixtrans-66.5-45.2-179.7-177-104.3000112.4T175 K428 W431 M432 A442 S443 L444 L449 R450T175-Y446 HydrophobicContact CG2-CD1 4.1Å; T175-Y446 HydrophobicContact CG2-CE1 3.46Å; T175-Y446 VanDerWaalsContact CG2-CE1 3.46Å; K428-Y446 HydrophobicContact CG-CE2 4.43Å; W431-Y446 HydrophobicContact CB-CD2 4.2Å; M432-Y446 HydrophobicContact CB-CD2 4.03Å; M432-Y446 HydrophobicContact CB-CE2 3.56Å; M432-Y446 HydrophobicContact CG-CE2 3.83Å; A442-Y446 WeakPolarHBondContact O-CB 3.4Å; A442-Y446 PolarHBondContact O-N 2.87Å; S443-Y446 PolarHBondContact O-N 3.35Å; L444-Y446 VanDerWaalsContact C-N 3.34Å; L444-Y446 PolarHBondContact O-N 2.98Å; Y446-L449 PolarHBondContact O-N 2.78Å; Y446-R450 HydrophobicContact CD1-CG 4.22Å; Y446-R450 HydrophobicContact CE1-CG 3.77Å; Y446-R450 HydrophobicContact CE2-CG 4.1Å; Y446-R450 WeakPolarHBondContact O-CG 3.38Å; Y446-R450 PolarHBondContact O-N 2.81Å
447V95Very high92.6Very high9 Ų932 Ų326%0.05517%0.166CC..Hα-helixtrans-67.3-39.1179.972.50000111.6W172 A183 A186 I187 L190 S443 L444 R450 A451W172-V447 HydrophobicContact CH2-CB 4.25Å; W172-V447 HydrophobicContact CH2-CG1 3.76Å; W172-V447 HydrophobicContact CZ2-CB 3.88Å; W172-V447 HydrophobicContact CZ2-CG1 3.9Å; W172-V447 HydrophobicContact CZ2-CG2 4.49Å; A183-V447 HydrophobicContact CB-CG2 4.41Å; A186-V447 HydrophobicContact CB-CG2 3.71Å; I187-V447 HydrophobicContact CD1-CG1 4.23Å; L190-V447 HydrophobicContact CD1-CG1 4.44Å; S443-V447 WeakPolarHBondContact O-CG1 2.94Å; S443-V447 PolarHBondContact O-N 3.31Å; L444-V447 VanDerWaalsContact O-CG1 3.31Å; L444-V447 WeakPolarHBondContact O-CG1 3.28Å; L444-V447 PolarHBondContact O-N 3.33Å; V447-R450 PolarHBondContact O-N 3.27Å; V447-A451 WeakPolarHBondContact O-CB 3.36Å; V447-A451 PolarHBondContact O-N 3.01Å
448S95Very high93.1Very high1 Ų137.7 Ų37.71%0.00718%0.182CC..Hα-helixtrans-59.2-48.2173.3-63.50000111.2I187 L444 R450 A451 W452I187-S448 VanDerWaalsContact CD1-OG 3.31Å; I187-S448 WeakPolarHBondContact CD1-OG 3.46Å; L444-S448 PolarHBondContact O-N 3.5Å; L444-S448 PolarHBondContact O-OG 2.92Å; L444-S448 VanDerWaalsContact O-OG 3.1Å; S448-R450 PolarHBondContact O-N 3.34Å; S448-A451 PolarHBondContact O-N 2.8Å; S448-W452 WeakPolarHBondContact O-CB 3.17Å; S448-W452 PolarHBondContact O-N 3.31Å
449L94.2Very high93.6Very high44 Ų4438.8 Ų38.823%0.2319%0.191CC..Hα-helixtrans-57.3-47.3176.4178.166.1000111.9K428 W431 K445 Y446 W452 E453K428-L449 HydrophobicContact CB-CD2 3.91Å; K428-L449 HydrophobicContact CD-CD2 4.09Å; K428-L449 HydrophobicContact CG-CD2 3.77Å; W431-L449 HydrophobicContact CE3-CB 4.41Å; W431-L449 HydrophobicContact CE3-CD2 3.92Å; W431-L449 HydrophobicContact CZ3-CB 4.19Å; W431-L449 HydrophobicContact CZ3-CD2 3.95Å; K445-L449 WeakPolarHBondContact O-CB 3.42Å; K445-L449 PolarHBondContact O-N 3.49Å; Y446-L449 PolarHBondContact O-N 2.78Å; L449-W452 PolarHBondContact O-N 3.05Å; L449-E453 WeakPolarHBondContact O-CG 3.46Å; L449-E453 PolarHBondContact O-N 3.26Å
450R94.7Very high93.9Very high87 Ų8742.9 Ų42.933%0.32821%0.206SC..Hα-helixtrans-66.2-39-179.8-69.1-62.4-64.4159.2-4.6112.4A183 Y446 V447 S448 E453 L454A183-R450 HydrophobicContact CB-CB 3.87Å; Y446-R450 HydrophobicContact CD1-CG 4.22Å; Y446-R450 HydrophobicContact CE1-CG 3.77Å; Y446-R450 HydrophobicContact CE2-CG 4.1Å; Y446-R450 WeakPolarHBondContact O-CG 3.38Å; Y446-R450 PolarHBondContact O-N 2.81Å; V447-R450 PolarHBondContact O-N 3.27Å; S448-R450 PolarHBondContact O-N 3.34Å; R450-E453 WeakPolarHBondContact CD-OE2 3.42Å; R450-E453 IonicContact CZ-OE2 3.33Å; R450-E453 IonicContact NE-OE2 3.99Å; R450-E453 IonicContact NH1-OE2 3.96Å; R450-E453 PolarHBondContact NH1-OE2 3.3Å; R450-L454 WeakPolarHBondContact O-CG 3.33Å; R450-L454 PolarHBondContact O-N 2.84Å
451A95.6Very high94.2Very high0 Ų043.2 Ų43.20%021%0.208CC..Hα-helixtrans-65.1-41.2174.800000111.3A183 Y184 I187 V447 S448 L454 F455 F474A183-A451 HydrophobicContact CB-CB 4.35Å; Y184-A451 HydrophobicContact CD1-CB 4.35Å; Y184-A451 WeakPolarHBondContact CE1-O 3.47Å; I187-A451 HydrophobicContact CB-CB 4.09Å; I187-A451 HydrophobicContact CG1-CB 4.44Å; I187-A451 HydrophobicContact CG2-CB 3.75Å; V447-A451 WeakPolarHBondContact O-CB 3.36Å; V447-A451 PolarHBondContact O-N 3.01Å; S448-A451 PolarHBondContact O-N 2.8Å; A451-L454 PolarHBondContact O-N 3.22Å; A451-F455 WeakPolarHBondContact O-CB 3.42Å; A451-F455 PolarHBondContact O-N 3.28Å; A451-F474 HydrophobicContact CB-CE2 4.25Å; A451-F474 HydrophobicContact CB-CZ 4.17Å
452W94.8Very high94.4Very high111 Ų11148.4 Ų48.442%0.4223%0.232SC..Hα-helixtrans-63.1-44.6176.2-169.7-111.4000112.5S448 L449 L454 F455 A456 F474 M475S448-W452 WeakPolarHBondContact O-CB 3.17Å; S448-W452 PolarHBondContact O-N 3.31Å; L449-W452 PolarHBondContact O-N 3.05Å; W452-L454 VanDerWaalsContact C-N 3.31Å; W452-L454 PolarHBondContact O-N 2.9Å; W452-F455 HydrophobicContact CE3-CD1 4.28Å; W452-F455 HydrophobicContact CH2-CD1 4.37Å; W452-F455 AromaticContact CZ3-CD1 3.89Å; W452-F455 HydrophobicContact CZ3-CD1 3.89Å; W452-F455 HydrophobicContact CZ3-CE1 4.38Å; W452-F455 PolarHBondContact O-N 3.13Å; W452-F455 VanDerWaalsContact O-N 3.12Å; W452-A456 VanDerWaalsContact O-CB 3.31Å; W452-A456 WeakPolarHBondContact O-CB 3.43Å; W452-A456 PolarHBondContact O-N 3.05Å; W452-F474 HydrophobicContact CE3-CE1 4.13Å; W452-F474 HydrophobicContact CZ3-CE1 4.25Å; W452-M475 HydrophobicContact CH2-CE 3.78Å; W452-M475 HydrophobicContact CH2-SD 3.88Å; W452-M475 HydrophobicContact CZ3-CE 3.94Å; W452-M475 HydrophobicContact CZ3-SD 3.46Å; W452-M475 WeakPolarHBondContact CZ3-SD 3.26Å
453E94.6Very high94.6Very high62 Ų6252.2 Ų52.229%0.2925%0.249SC..Hα-helixtrans-59.4-41.4176.5-74.7176.2162.600112K428 L449 R450 S457K428-E453 IonicContact NZ-OE1 2.84Å; K428-E453 PolarHBondContact NZ-OE1 3.24Å; K428-E453 IonicContact NZ-OE2 3.02Å; K428-E453 PolarHBondContact NZ-OE2 3.18Å; L449-E453 WeakPolarHBondContact O-CG 3.46Å; L449-E453 PolarHBondContact O-N 3.26Å; R450-E453 WeakPolarHBondContact CD-OE2 3.42Å; R450-E453 IonicContact CZ-OE2 3.33Å; R450-E453 IonicContact NE-OE2 3.99Å; R450-E453 IonicContact NH1-OE2 3.96Å; R450-E453 PolarHBondContact NH1-OE2 3.3Å; E453-S457 WeakPolarHBondContact O-CB 3.41Å; E453-S457 PolarHBondContact O-N 2.72Å; E453-S457 PolarHBondContact O-OG 2.78Å
454L95.3Very high94.8Very high21 Ų2152.2 Ų52.211%0.1125%0.249CC..Hα-helixtrans-65.3-42.6174.1-68174.2000111.3A183 Y184 R450 A451 W452 S457 R458 A459 Y460A183-L454 HydrophobicContact CB-CD1 4.11Å; Y184-L454 HydrophobicContact CD2-CD1 4.26Å; Y184-L454 HydrophobicContact CE1-CB 4.05Å; Y184-L454 HydrophobicContact CE2-CB 3.83Å; Y184-L454 HydrophobicContact CE2-CD1 4.2Å; Y184-L454 WeakPolarHBondContact OH-CB 3.23Å; Y184-L454 PolarHBondContact OH-O 2.55Å; R450-L454 WeakPolarHBondContact O-CG 3.33Å; R450-L454 PolarHBondContact O-N 2.84Å; A451-L454 PolarHBondContact O-N 3.22Å; W452-L454 VanDerWaalsContact C-N 3.31Å; W452-L454 PolarHBondContact O-N 2.9Å; L454-S457 PolarHBondContact O-N 2.61Å; L454-S457 PolarHBondContact O-OG 2.78Å; L454-R458 PolarHBondContact O-N 3.16Å; L454-R458 VanDerWaalsContact O-N 3.14Å; L454-A459 HydrophobicContact CD2-CB 3.96Å; L454-A459 PolarHBondContact O-N 3.41Å; L454-Y460 HydrophobicContact CD2-CD2 4.43Å
455F95.6Very high94.9Very high35 Ų3556.7 Ų56.715%0.15427%0.27CS..Hα-helixtrans-67.1-48.3-178.6-172.4-100.4000112.7Y184 A451 W452 S457 R458 I461 T471 F474 M475Y184-F455 HydrophobicContact CE1-CB 4.15Å; Y184-F455 WeakPolarHBondContact OH-CA 3.42Å; Y184-F455 PolarHBondContact OH-N 3.43Å; A451-F455 WeakPolarHBondContact O-CB 3.42Å; A451-F455 PolarHBondContact O-N 3.28Å; W452-F455 HydrophobicContact CE3-CD1 4.28Å; W452-F455 HydrophobicContact CH2-CD1 4.37Å; W452-F455 AromaticContact CZ3-CD1 3.89Å; W452-F455 HydrophobicContact CZ3-CD1 3.89Å; W452-F455 HydrophobicContact CZ3-CE1 4.38Å; W452-F455 PolarHBondContact O-N 3.13Å; W452-F455 VanDerWaalsContact O-N 3.12Å; F455-S457 PolarHBondContact O-N 2.87Å; F455-R458 WeakPolarHBondContact O-CA 3.46Å; F455-R458 PolarHBondContact O-N 2.88Å; F455-I461 HydrophobicContact CD2-CD1 3.85Å; F455-I461 HydrophobicContact CD2-CG1 4.04Å; F455-I461 HydrophobicContact CE2-CD1 4Å; F455-I461 HydrophobicContact CE2-CG1 4.01Å; F455-T471 HydrophobicContact CE1-CG2 4.31Å; F455-T471 HydrophobicContact CZ-CG2 3.67Å; F455-F474 HydrophobicContact CB-CD1 4.42Å; F455-F474 HydrophobicContact CB-CE1 3.54Å; F455-F474 HydrophobicContact CB-CZ 3.71Å; F455-F474 HydrophobicContact CD1-CD1 4.1Å; F455-F474 AromaticContact CD1-CE1 3.74Å; F455-F474 HydrophobicContact CD1-CE1 3.74Å; F455-F474 AromaticContact CD2-CD1 3.55Å; F455-F474 HydrophobicContact CD2-CD1 3.55Å; F455-F474 AromaticContact CD2-CE1 3.54Å; F455-F474 HydrophobicContact CD2-CE1 3.54Å; F455-F474 HydrophobicContact CD2-CG 4.14Å; F455-F474 HydrophobicContact CD2-CZ 4.13Å; F455-F474 HydrophobicContact CE1-CD1 4.27Å; F455-F474 HydrophobicContact CE1-CE1 4.35Å; F455-F474 AromaticContact CE2-CD1 3.75Å; F455-F474 HydrophobicContact CE2-CD1 3.75Å; F455-F474 HydrophobicContact CE2-CE1 4.19Å; F455-F474 HydrophobicContact CE2-CG 4.28Å; F455-F474 AromaticContact CG-CD1 3.75Å; F455-F474 HydrophobicContact CG-CD1 3.75Å; F455-F474 AromaticContact CG-CE1 3.3Å; F455-F474 HydrophobicContact CG-CE1 3.3Å; F455-F474 AromaticContact CG-CZ 3.95Å; F455-F474 HydrophobicContact CG-CZ 3.95Å; F455-F474 HydrophobicContact CZ-CD1 4.12Å; F455-M475 HydrophobicContact CE1-SD 4.49Å
456A94.5Very high95.1Very high71 Ų7162.9 Ų62.959%0.58730%0.297SS*.Hα-helixtrans-60.6-34.4177.500000112.2W452 R458W452-A456 VanDerWaalsContact O-CB 3.31Å; W452-A456 WeakPolarHBondContact O-CB 3.43Å; W452-A456 PolarHBondContact O-N 3.05Å; A456-R458 VanDerWaalsContact C-N 3.3Å
457S95.4Very high95.2Very high78 Ų7865.2 Ų65.255%0.54531%0.307SS..THydrogen-bonded Turntrans-83-1.6174.660.20000114.2E453 L454 F455 A459E453-S457 WeakPolarHBondContact O-CB 3.41Å; E453-S457 PolarHBondContact O-N 2.72Å; E453-S457 PolarHBondContact O-OG 2.78Å; L454-S457 PolarHBondContact O-N 2.61Å; L454-S457 PolarHBondContact O-OG 2.78Å; F455-S457 PolarHBondContact O-N 2.87Å; S457-A459 PolarHBondContact O-N 3.19Å; S457-A459 VanDerWaalsContact O-N 3.13Å; S457-A459 WeakPolarHBondContact OG-CB 3.4Å
458R94.5Very high95.2Very high204 Ų20466.7 Ų66.777%0.7732%0.323SS*.THydrogen-bonded Turntrans51.827.9-171.7-61.9-175.3169.9172.7-3.4113.2L454 F455 A456 Y460 I461L454-R458 PolarHBondContact O-N 3.16Å; L454-R458 VanDerWaalsContact O-N 3.14Å; F455-R458 WeakPolarHBondContact O-CA 3.46Å; F455-R458 PolarHBondContact O-N 2.88Å; A456-R458 VanDerWaalsContact C-N 3.3Å; R458-Y460 PolarHBondContact O-N 2.69Å; R458-I461 HydrophobicContact CB-CG2 4.03Å
459A95.1Very high95.2Very high27 Ų2766.9 Ų66.922%0.22332%0.324CS..  trans-73.5124.6178.700000109.4Y184 L454 S457 I461Y184-A459 WeakPolarHBondContact CE2-O 3.41Å; Y184-A459 PolarHBondContact OH-O 2.87Å; L454-A459 HydrophobicContact CD2-CB 3.96Å; L454-A459 PolarHBondContact O-N 3.41Å; S457-A459 PolarHBondContact O-N 3.19Å; S457-A459 VanDerWaalsContact O-N 3.13Å; S457-A459 WeakPolarHBondContact OG-CB 3.4Å; A459-I461 PolarHBondContact O-N 2.89Å
460Y94.6Very high95.3Very high94 Ų9467.8 Ų67.837%0.36933%0.332SS..SBendtrans61-10.1178-48.5-76.5000117.2V181 L454 R458 H462 Q463V181-Y460 HydrophobicContact CG1-CD1 4.17Å; V181-Y460 HydrophobicContact CG1-CD2 4.04Å; V181-Y460 HydrophobicContact CG1-CG 3.7Å; L454-Y460 HydrophobicContact CD2-CD2 4.43Å; R458-Y460 PolarHBondContact O-N 2.69Å; Y460-H462 VanDerWaalsContact C-N 3.27Å; Y460-H462 PolarHBondContact O-N 3Å; Y460-Q463 VanDerWaalsContact O-CB 3.25Å; Y460-Q463 WeakPolarHBondContact O-CB 3.38Å; Y460-Q463 WeakPolarHBondContact O-CG 3.41Å; Y460-Q463 PolarHBondContact O-N 3.04Å
461I94.7Very high95.4Very high9 Ų966.6 Ų66.65%0.04633%0.334CS..Hα-helixtrans-56.6-36.8-175.3-167.858.3000113.6F455 R458 A459 Q463 Y464 E465 L469F455-I461 HydrophobicContact CD2-CD1 3.85Å; F455-I461 HydrophobicContact CD2-CG1 4.04Å; F455-I461 HydrophobicContact CE2-CD1 4Å; F455-I461 HydrophobicContact CE2-CG1 4.01Å; R458-I461 HydrophobicContact CB-CG2 4.03Å; A459-I461 PolarHBondContact O-N 2.89Å; I461-Q463 PolarHBondContact O-N 3.09Å; I461-Q463 VanDerWaalsContact O-N 3.09Å; I461-Y464 WeakPolarHBondContact O-CA 3.46Å; I461-Y464 WeakPolarHBondContact O-CB 3.3Å; I461-Y464 PolarHBondContact O-N 2.88Å; I461-E465 HydrophobicContact CG1-CG 4.16Å; I461-E465 PolarHBondContact O-N 2.81Å; I461-L469 HydrophobicContact CD1-CD2 3.92Å
462H94.5Very high95.4Very high111 Ų11172.1 Ų72.151%0.51436%0.364SS..Hα-helixtrans-57.6-26.517664.7-87.3000113.3Y460 Y464 K466Y460-H462 VanDerWaalsContact C-N 3.27Å; Y460-H462 PolarHBondContact O-N 3Å; H462-Y464 VanDerWaalsContact C-N 3.28Å; H462-K466 WeakPolarHBondContact O-CB 3.44Å; H462-K466 PolarHBondContact O-N 3.27Å
463Q94.7Very high95.5Very high79 Ų7969.1 Ų69.137%0.36936%0.355SS..Hα-helixtrans-72.8-24.2176.3-54.6-177.93.300111.9N102 Y460 I461 Y467N102-Q463 PolarHBondContact ND2-O 3.13Å; Y460-Q463 VanDerWaalsContact O-CB 3.25Å; Y460-Q463 WeakPolarHBondContact O-CB 3.38Å; Y460-Q463 WeakPolarHBondContact O-CG 3.41Å; Y460-Q463 PolarHBondContact O-N 3.04Å; I461-Q463 PolarHBondContact O-N 3.09Å; I461-Q463 VanDerWaalsContact O-N 3.09Å; Q463-Y467 WeakPolarHBondContact O-CD2 3.45Å; Q463-Y467 WeakPolarHBondContact O-CE2 3.47Å
464Y97.3Very high95.6Very high0 Ų066.1 Ų66.10%034%0.341CS..Hα-helixtrans-91.8-42.8177.3-70.4-113.8000110.7W103 A104 V181 Y184 N185 L188 I461 H462 K466 Y467 G468 L469W103-Y464 HydrophobicContact CB-CE1 3.98Å; A104-Y464 HydrophobicContact CB-CD1 3.71Å; A104-Y464 HydrophobicContact CB-CG 4.13Å; V181-Y464 HydrophobicContact CB-CE2 4.21Å; V181-Y464 VanDerWaalsContact CB-OH 3.26Å; V181-Y464 WeakPolarHBondContact CB-OH 3.42Å; V181-Y464 HydrophobicContact CG1-CE2 4.25Å; V181-Y464 VanDerWaalsContact CG2-OH 3.29Å; V181-Y464 WeakPolarHBondContact CG2-OH 3.35Å; Y184-Y464 HydrophobicContact CD2-CD2 4.48Å; Y184-Y464 HydrophobicContact CD2-CE2 4.01Å; N185-Y464 PolarHBondContact OD1-OH 2.74Å; L188-Y464 HydrophobicContact CD1-CD1 3.92Å; L188-Y464 HydrophobicContact CD1-CE1 3.97Å; I461-Y464 WeakPolarHBondContact O-CA 3.46Å; I461-Y464 WeakPolarHBondContact O-CB 3.3Å; I461-Y464 PolarHBondContact O-N 2.88Å; H462-Y464 VanDerWaalsContact C-N 3.28Å; Y464-K466 PolarHBondContact O-N 3.49Å; Y464-Y467 PolarHBondContact O-N 3.13Å; Y464-G468 PolarHBondContact O-N 2.87Å; Y464-L469 VanDerWaalsContact CB-CD2 3.49Å; Y464-L469 HydrophobicContact CD1-CD2 3.98Å; Y464-L469 HydrophobicContact CG-CD2 4.07Å; Y464-L469 PolarHBondContact O-N 3.18Å
465E96.7Very high95.6Very high94 Ų9468.8 Ų68.844%0.43935%0.354SS..Hα-helixtrans-57.8-36.3177.2-70.5174.8154.300112.1I461 Y467 G468 L469I461-E465 HydrophobicContact CG1-CG 4.16Å; I461-E465 PolarHBondContact O-N 2.81Å; E465-Y467 PolarHBondContact O-N 3.22Å; E465-Y467 VanDerWaalsContact O-N 3.08Å; E465-G468 PolarHBondContact O-N 3.34Å; E465-L469 WeakPolarHBondContact CA-O 3.49Å
466K96.2Very high95.7Very high162 Ų16272.2 Ų72.270%0.70437%0.374SS*.THydrogen-bonded Turntrans-54.7-28.2174.7-178.2-179.3175.3-169.20113.4H462 Y464H462-K466 WeakPolarHBondContact O-CB 3.44Å; H462-K466 PolarHBondContact O-N 3.27Å; Y464-K466 PolarHBondContact O-N 3.49Å
467Y96.1Very high95.8Very high71 Ų7169.1 Ų69.128%0.27835%0.348SS..THydrogen-bonded Turntrans-102.68.6179.7-58-63.2000113.3Y105 F108 V109 Q463 Y464 E465Y105-Y467 AromaticContact CD2-CD1 3.62Å; Y105-Y467 HydrophobicContact CD2-CD1 3.62Å; Y105-Y467 HydrophobicContact CD2-CD2 4.29Å; Y105-Y467 AromaticContact CD2-CE1 3.32Å; Y105-Y467 HydrophobicContact CD2-CE1 3.32Å; Y105-Y467 HydrophobicContact CD2-CE2 4.05Å; Y105-Y467 HydrophobicContact CD2-CG 4.1Å; Y105-Y467 AromaticContact CD2-CZ 3.55Å; Y105-Y467 HydrophobicContact CE2-CD1 4.34Å; Y105-Y467 AromaticContact CE2-CE1 3.8Å; Y105-Y467 HydrophobicContact CE2-CE1 3.8Å; Y105-Y467 HydrophobicContact CG-CD1 4.44Å; Y105-Y467 HydrophobicContact CG-CD2 4.35Å; Y105-Y467 HydrophobicContact CG-CE1 4.11Å; Y105-Y467 AromaticContact CG-CE2 4Å; Y105-Y467 HydrophobicContact CG-CE2 4Å; Y105-Y467 AromaticContact CG-CZ 3.86Å; F108-Y467 VanDerWaalsContact CB-O 3.22Å; F108-Y467 WeakPolarHBondContact CB-O 3.29Å; F108-Y467 WeakPolarHBondContact CD2-O 3.34Å; F108-Y467 WeakPolarHBondContact CG-O 3.34Å; V109-Y467 HydrophobicContact CG2-CD1 3.86Å; V109-Y467 HydrophobicContact CG2-CG 4.47Å; Q463-Y467 WeakPolarHBondContact O-CD2 3.45Å; Q463-Y467 WeakPolarHBondContact O-CE2 3.47Å; Y464-Y467 PolarHBondContact O-N 3.13Å; E465-Y467 PolarHBondContact O-N 3.22Å; E465-Y467 VanDerWaalsContact O-N 3.08Å
468G94.4Very high95.9Very high39 Ų3965.9 Ų65.940%0.40233%0.325SS..THydrogen-bonded Turntrans102.86.4173.600000115.7Y464 E465 T470Y464-G468 PolarHBondContact O-N 2.87Å; E465-G468 PolarHBondContact O-N 3.34Å; G468-T470 PolarHBondContact O-N 3.07Å
469L96.6Very high96Very high5 Ų558.7 Ų58.73%0.02631%0.309CS..  trans-64.8119.2170.1-177.369.1000109.5W103 A104 F108 L188 I461 Y464 E465 I473W103-L469 HydrophobicContact CZ3-CD1 4.45Å; A104-L469 HydrophobicContact CB-CB 4.29Å; F108-L469 HydrophobicContact CE2-CB 4.24Å; L188-L469 HydrophobicContact CD1-CD1 4.28Å; L188-L469 HydrophobicContact CD1-CD2 4.01Å; L188-L469 HydrophobicContact CD2-CD1 3.75Å; L188-L469 HydrophobicContact CD2-CD2 4.49Å; I461-L469 HydrophobicContact CD1-CD2 3.92Å; Y464-L469 VanDerWaalsContact CB-CD2 3.49Å; Y464-L469 HydrophobicContact CD1-CD2 3.98Å; Y464-L469 HydrophobicContact CG-CD2 4.07Å; Y464-L469 PolarHBondContact O-N 3.18Å; E465-L469 WeakPolarHBondContact CA-O 3.49Å; L469-I473 HydrophobicContact CD1-CB 4.19Å; L469-I473 HydrophobicContact CD1-CG2 3.87Å
470T96.3Very high96.1Very high64 Ų6458.8 Ų58.839%0.39331%0.307SS..  trans-94.3160.1172.867.50000110.8G468 D472 I473 F474G468-T470 PolarHBondContact O-N 3.07Å; T470-D472 VanDerWaalsContact C-N 3.26Å; T470-D472 PolarHBondContact O-N 3.49Å; T470-I473 HydrophobicContact CG2-CD1 4.48Å; T470-I473 PolarHBondContact O-N 3Å; T470-I473 WeakPolarHBondContact OG1-CD1 3.44Å; T470-I473 VanDerWaalsContact OG1-CG1 3.31Å; T470-I473 WeakPolarHBondContact OG1-CG1 3.29Å; T470-I473 PolarHBondContact OG1-N 3.24Å; T470-F474 PolarHBondContact O-N 3.47Å
471T95Very high96.2Very high62 Ų6254.3 Ų54.338%0.3829%0.29SS..Hα-helixtrans-58.6-41.9171.9-64.80000110.8F455 I473 F474 M475F455-T471 HydrophobicContact CE1-CG2 4.31Å; F455-T471 HydrophobicContact CZ-CG2 3.67Å; T471-I473 PolarHBondContact O-N 2.98Å; T471-F474 WeakPolarHBondContact O-CB 3.36Å; T471-F474 PolarHBondContact O-N 3.12Å; T471-F474 VanDerWaalsContact O-N 3.15Å; T471-M475 HydrophobicContact CG2-CG 3.89Å; T471-M475 WeakPolarHBondContact O-CG 3.32Å; T471-M475 PolarHBondContact O-N 3.27Å
472D96.5Very high96.2Very high116 Ų11658.6 Ų58.662%0.6231%0.309SS*.Hα-helixtrans-59.5-47.5-178.2-55.2-35.5000112T470 F474 M475 D476T470-D472 VanDerWaalsContact C-N 3.26Å; T470-D472 PolarHBondContact O-N 3.49Å; D472-F474 VanDerWaalsContact C-N 3.28Å; D472-F474 PolarHBondContact O-N 3.09Å; D472-M475 PolarHBondContact O-N 3.19Å; D472-M475 VanDerWaalsContact O-N 3.17Å; D472-D476 VanDerWaalsContact O-CG 3.31Å; D472-D476 PolarHBondContact O-N 3.14Å
473I96.1Very high96.2Very high47 Ų4758.7 Ų58.724%0.24131%0.31CS..Hα-helixtrans-58.8-42.7177.1-66.8167.5000110.9F108 L469 T470 T471 C477F108-I473 HydrophobicContact CZ-CD1 4.13Å; L469-I473 HydrophobicContact CD1-CB 4.19Å; L469-I473 HydrophobicContact CD1-CG2 3.87Å; T470-I473 HydrophobicContact CG2-CD1 4.48Å; T470-I473 PolarHBondContact O-N 3Å; T470-I473 WeakPolarHBondContact OG1-CD1 3.44Å; T470-I473 VanDerWaalsContact OG1-CG1 3.31Å; T470-I473 WeakPolarHBondContact OG1-CG1 3.29Å; T470-I473 PolarHBondContact OG1-N 3.24Å; T471-I473 PolarHBondContact O-N 2.98Å; I473-C477 PolarHBondContact O-N 2.99Å; I473-C477 VanDerWaalsContact O-N 3.09Å; I473-C477 PolarHBondContact O-SG 3.2Å
474F97Very high96.2Very high0 Ų055.5 Ų55.50%030%0.295CS..Hα-helixtrans-63.8-46.4177.8175.1-99.8000111.7Y184 I187 L188 A451 W452 F455 T470 T471 D472 D476 C477 V478Y184-F474 HydrophobicContact CD1-CD2 4.36Å; Y184-F474 AromaticContact CD1-CE2 3.65Å; Y184-F474 HydrophobicContact CD1-CE2 3.65Å; Y184-F474 HydrophobicContact CD1-CZ 4.33Å; Y184-F474 HydrophobicContact CE1-CD2 4.43Å; Y184-F474 AromaticContact CE1-CE2 3.67Å; Y184-F474 HydrophobicContact CE1-CE2 3.67Å; Y184-F474 AromaticContact CE1-CZ 3.96Å; Y184-F474 HydrophobicContact CE1-CZ 3.96Å; I187-F474 HydrophobicContact CG2-CD2 4.43Å; I187-F474 HydrophobicContact CG2-CE2 3.85Å; L188-F474 HydrophobicContact CD2-CD2 4.18Å; A451-F474 HydrophobicContact CB-CE2 4.25Å; A451-F474 HydrophobicContact CB-CZ 4.17Å; W452-F474 HydrophobicContact CE3-CE1 4.13Å; W452-F474 HydrophobicContact CZ3-CE1 4.25Å; F455-F474 HydrophobicContact CB-CD1 4.42Å; F455-F474 HydrophobicContact CB-CE1 3.54Å; F455-F474 HydrophobicContact CB-CZ 3.71Å; F455-F474 HydrophobicContact CD1-CD1 4.1Å; F455-F474 AromaticContact CD1-CE1 3.74Å; F455-F474 HydrophobicContact CD1-CE1 3.74Å; F455-F474 AromaticContact CD2-CD1 3.55Å; F455-F474 HydrophobicContact CD2-CD1 3.55Å; F455-F474 AromaticContact CD2-CE1 3.54Å; F455-F474 HydrophobicContact CD2-CE1 3.54Å; F455-F474 HydrophobicContact CD2-CG 4.14Å; F455-F474 HydrophobicContact CD2-CZ 4.13Å; F455-F474 HydrophobicContact CE1-CD1 4.27Å; F455-F474 HydrophobicContact CE1-CE1 4.35Å; F455-F474 AromaticContact CE2-CD1 3.75Å; F455-F474 HydrophobicContact CE2-CD1 3.75Å; F455-F474 HydrophobicContact CE2-CE1 4.19Å; F455-F474 HydrophobicContact CE2-CG 4.28Å; F455-F474 AromaticContact CG-CD1 3.75Å; F455-F474 HydrophobicContact CG-CD1 3.75Å; F455-F474 AromaticContact CG-CE1 3.3Å; F455-F474 HydrophobicContact CG-CE1 3.3Å; F455-F474 AromaticContact CG-CZ 3.95Å; F455-F474 HydrophobicContact CG-CZ 3.95Å; F455-F474 HydrophobicContact CZ-CD1 4.12Å; T470-F474 PolarHBondContact O-N 3.47Å; T471-F474 WeakPolarHBondContact O-CB 3.36Å; T471-F474 PolarHBondContact O-N 3.12Å; T471-F474 VanDerWaalsContact O-N 3.15Å; D472-F474 VanDerWaalsContact C-N 3.28Å; D472-F474 PolarHBondContact O-N 3.09Å; F474-D476 PolarHBondContact O-N 2.96Å; F474-C477 PolarHBondContact O-N 2.91Å; F474-V478 HydrophobicContact CD1-CG2 4.31Å; F474-V478 HydrophobicContact CD2-CG2 4.46Å; F474-V478 HydrophobicContact CE1-CG2 3.81Å; F474-V478 HydrophobicContact CE2-CG2 3.98Å; F474-V478 HydrophobicContact CZ-CG2 3.63Å; F474-V478 WeakPolarHBondContact O-CG2 3.38Å; F474-V478 PolarHBondContact O-N 3.48Å
475M96.7Very high96Very high77 Ų7755.5 Ų55.538%0.37930%0.295SS..Hα-helixtrans-62-42.8179.4-64.1-62.7-87.100111.6W452 F455 T471 D472 C477 V478 A479W452-M475 HydrophobicContact CH2-CE 3.78Å; W452-M475 HydrophobicContact CH2-SD 3.88Å; W452-M475 HydrophobicContact CZ3-CE 3.94Å; W452-M475 HydrophobicContact CZ3-SD 3.46Å; W452-M475 WeakPolarHBondContact CZ3-SD 3.26Å; F455-M475 HydrophobicContact CE1-SD 4.49Å; T471-M475 HydrophobicContact CG2-CG 3.89Å; T471-M475 WeakPolarHBondContact O-CG 3.32Å; T471-M475 PolarHBondContact O-N 3.27Å; D472-M475 PolarHBondContact O-N 3.19Å; D472-M475 VanDerWaalsContact O-N 3.17Å; M475-C477 PolarHBondContact O-N 3.1Å; M475-V478 PolarHBondContact O-N 3.11Å; M475-A479 WeakPolarHBondContact O-CB 3.44Å; M475-A479 PolarHBondContact O-N 3.34Å
476D96.9Very high95.7Very high107 Ų10755.6 Ų55.657%0.57230%0.296SS*.Hα-helixtrans-63.1-41.2177.7-71.1-16.7000111.8D472 F474 A479 T480D472-D476 VanDerWaalsContact O-CG 3.31Å; D472-D476 PolarHBondContact O-N 3.14Å; F474-D476 PolarHBondContact O-N 2.96Å; D476-A479 PolarHBondContact O-N 3.45Å; D476-T480 WeakPolarHBondContact O-CB 3.24Å; D476-T480 PolarHBondContact O-N 3.4Å; D476-T480 PolarHBondContact O-OG1 3.46Å
477C97.4Very high95.5Very high6 Ų648.5 Ų48.54%0.04127%0.266CS..Hα-helixtrans-63.9-45176-71.40000111.8L188 I473 F474 M475 T480 V481L188-C477 HydrophobicContact CD2-CB 4.34Å; I473-C477 PolarHBondContact O-N 2.99Å; I473-C477 VanDerWaalsContact O-N 3.09Å; I473-C477 PolarHBondContact O-SG 3.2Å; F474-C477 PolarHBondContact O-N 2.91Å; M475-C477 PolarHBondContact O-N 3.1Å; C477-T480 PolarHBondContact O-N 3.26Å; C477-V481 WeakPolarHBondContact O-CG2 3.25Å; C477-V481 PolarHBondContact O-N 2.99Å
478V96.9Very high95.2Very high9 Ų945.4 Ų45.46%0.05525%0.254CS..Hα-helixtrans-60.6-49.3176.6172.80000110.3I187 F474 M475 T480 V481 E482I187-V478 HydrophobicContact CG1-CG2 3.92Å; F474-V478 HydrophobicContact CD1-CG2 4.31Å; F474-V478 HydrophobicContact CD2-CG2 4.46Å; F474-V478 HydrophobicContact CE1-CG2 3.81Å; F474-V478 HydrophobicContact CE2-CG2 3.98Å; F474-V478 HydrophobicContact CZ-CG2 3.63Å; F474-V478 WeakPolarHBondContact O-CG2 3.38Å; F474-V478 PolarHBondContact O-N 3.48Å; M475-V478 PolarHBondContact O-N 3.11Å; V478-T480 VanDerWaalsContact C-N 3.32Å; V478-T480 PolarHBondContact O-N 3.23Å; V478-V481 PolarHBondContact O-N 2.96Å; V478-E482 HydrophobicContact CG1-CG 4.25Å; V478-E482 WeakPolarHBondContact O-CB 3.09Å; V478-E482 WeakPolarHBondContact O-CG 3.31Å; V478-E482 PolarHBondContact O-N 3.26Å
479A96.9Very high94.8Very high53 Ų5344 Ų4444%0.43824%0.238SC..Hα-helixtrans-59.4-42.4179.900000112.1M475 D476 E482 Q483M475-A479 WeakPolarHBondContact O-CB 3.44Å; M475-A479 PolarHBondContact O-N 3.34Å; D476-A479 PolarHBondContact O-N 3.45Å; A479-E482 PolarHBondContact O-N 3.49Å; A479-Q483 WeakPolarHBondContact O-CB 3.09Å; A479-Q483 PolarHBondContact O-N 3.41Å
480T96.3Very high94.4Very high30 Ų3046.9 Ų46.918%0.18426%0.256CS..Hα-helixtrans-60.5-48.2176.4-61.50000111.5D476 C477 V478 Q483 I484D476-T480 WeakPolarHBondContact O-CB 3.24Å; D476-T480 PolarHBondContact O-N 3.4Å; D476-T480 PolarHBondContact O-OG1 3.46Å; C477-T480 PolarHBondContact O-N 3.26Å; V478-T480 VanDerWaalsContact C-N 3.32Å; V478-T480 PolarHBondContact O-N 3.23Å; T480-Q483 PolarHBondContact O-N 3.02Å; T480-I484 HydrophobicContact CG2-CD1 4.26Å; T480-I484 WeakPolarHBondContact O-CG1 3.42Å; T480-I484 PolarHBondContact O-N 3.45Å; T480-I484 VanDerWaalsContact O-N 3.12Å
481V96.4Very high93.8Very high0 Ų044.3 Ų44.30%024%0.24CC..Hα-helixtrans-67.8-40-178.7173.30000111.6I187 L190 L444 C477 V478 I484 A485I187-V481 HydrophobicContact CD1-CB 3.61Å; I187-V481 HydrophobicContact CD1-CG1 3.63Å; I187-V481 HydrophobicContact CD1-CG2 3.77Å; I187-V481 HydrophobicContact CG1-CG2 4.47Å; L190-V481 HydrophobicContact CB-CG2 3.63Å; L444-V481 HydrophobicContact CB-CG1 4.03Å; L444-V481 HydrophobicContact CD2-CG1 3.98Å; L444-V481 HydrophobicContact CG-CG1 4.48Å; C477-V481 WeakPolarHBondContact O-CG2 3.25Å; C477-V481 PolarHBondContact O-N 2.99Å; V478-V481 PolarHBondContact O-N 2.96Å; V481-I484 PolarHBondContact O-N 3.35Å; V481-A485 WeakPolarHBondContact O-CB 3.27Å; V481-A485 PolarHBondContact O-N 3.18Å
482E95.3Very high93Very high99 Ų9944.2 Ų44.246%0.46324%0.242SC..Hα-helixtrans-64.1-40.5175.5-74.2-175.4168.400112.2V478 A479 I484 A485 H486V478-E482 HydrophobicContact CG1-CG 4.25Å; V478-E482 WeakPolarHBondContact O-CB 3.09Å; V478-E482 WeakPolarHBondContact O-CG 3.31Å; V478-E482 PolarHBondContact O-N 3.26Å; A479-E482 PolarHBondContact O-N 3.49Å; E482-I484 VanDerWaalsContact C-N 3.32Å; E482-I484 PolarHBondContact O-N 2.91Å; E482-A485 WeakPolarHBondContact O-CB 3.37Å; E482-A485 PolarHBondContact O-N 3.27Å; E482-H486 WeakPolarHBondContact O-CB 3.23Å; E482-H486 PolarHBondContact O-N 3.22Å
483Q95Very high91.7Very high113 Ų11339.3 Ų39.353%0.52821%0.214SC..Hα-helixtrans-60.9-42.4175.4-179.358.825.800111.5A479 T480 H486 C487A479-Q483 WeakPolarHBondContact O-CB 3.09Å; A479-Q483 PolarHBondContact O-N 3.41Å; T480-Q483 PolarHBondContact O-N 3.02Å; Q483-H486 WeakPolarHBondContact O-CB 3.33Å; Q483-H486 PolarHBondContact O-N 2.66Å; Q483-C487 PolarHBondContact O-N 2.96Å; Q483-C487 PolarHBondContact O-SG 2.99Å
484I93.8Very high90.2Very high12 Ų1244.3 Ų44.36%0.06224%0.237CC..Hα-helixtrans-70.6-40.5178.4-66.4173.1000111L194 I280 L444 T480 V481 E482 H486 C487 Y488L194-I484 HydrophobicContact CB-CD1 3.23Å; L194-I484 HydrophobicContact CD1-CD1 3.83Å; L194-I484 HydrophobicContact CD1-CG2 4.42Å; L194-I484 HydrophobicContact CG-CD1 4.08Å; I280-I484 HydrophobicContact CD1-CG2 4.3Å; L444-I484 HydrophobicContact CD1-CG2 3.94Å; T480-I484 HydrophobicContact CG2-CD1 4.26Å; T480-I484 WeakPolarHBondContact O-CG1 3.42Å; T480-I484 PolarHBondContact O-N 3.45Å; T480-I484 VanDerWaalsContact O-N 3.12Å; V481-I484 PolarHBondContact O-N 3.35Å; E482-I484 VanDerWaalsContact C-N 3.32Å; E482-I484 PolarHBondContact O-N 2.91Å; I484-H486 PolarHBondContact O-N 2.93Å; I484-C487 PolarHBondContact O-N 3.45Å; I484-Y488 HydrophobicContact CG2-CD2 3.82Å; I484-Y488 HydrophobicContact CG2-CE2 3.93Å; I484-Y488 WeakPolarHBondContact O-CD2 3.41Å; I484-Y488 PolarHBondContact O-N 3.27Å
485A92.7Very high89.9Confident0 Ų046.6 Ų46.60%025%0.249CC..Hα-helixtrans-57.2-39.4172.400000111.1L444 K445 V481 E482 S489L444-A485 HydrophobicContact CB-CB 3.58Å; L444-A485 HydrophobicContact CD1-CB 4.13Å; K445-A485 HydrophobicContact CG-CB 4Å; V481-A485 WeakPolarHBondContact O-CB 3.27Å; V481-A485 PolarHBondContact O-N 3.18Å; E482-A485 WeakPolarHBondContact O-CB 3.37Å; E482-A485 PolarHBondContact O-N 3.27Å; A485-S489 WeakPolarHBondContact O-CB 3.32Å; A485-S489 PolarHBondContact O-N 2.98Å; A485-S489 PolarHBondContact O-OG 3.15Å; A485-S489 VanDerWaalsContact O-OG 3.12Å
486H91.9Very high89.5Confident95 Ų9544.9 Ų44.944%0.4424%0.242SC..Hα-helixtrans-62.7-53.7174.5-174.366.2000111.1E482 Q483 I484 Y488 S489 T490E482-H486 WeakPolarHBondContact O-CB 3.23Å; E482-H486 PolarHBondContact O-N 3.22Å; Q483-H486 WeakPolarHBondContact O-CB 3.33Å; Q483-H486 PolarHBondContact O-N 2.66Å; I484-H486 PolarHBondContact O-N 2.93Å; H486-Y488 VanDerWaalsContact C-N 3.3Å; H486-Y488 PolarHBondContact O-N 3.05Å; H486-S489 WeakPolarHBondContact CA-OG 3.43Å; H486-S489 CarbonylContact O-C 3.54Å; H486-S489 WeakPolarHBondContact O-CA 3.43Å; H486-S489 PolarHBondContact O-N 3.35Å; H486-S489 PolarHBondContact O-OG 2.92Å; H486-T490 WeakPolarHBondContact CE1-CG2 3.48Å; H486-T490 PolarHBondContact O-N 3.31Å; H486-T490 PolarHBondContact O-OG1 3.27Å; H486-T490 VanDerWaalsContact O-OG1 3.06Å
487C90.9Very high89.1Confident14 Ų1441.5 Ų41.510%0.09522%0.223CC..Hα-helixtrans-51.4-46.8177.5-66.70000112.4Y278 Q483 I484 T490Y278-C487 HydrophobicContact CE1-CB 4.04Å; Y278-C487 PolarHBondContact OH-O 3.44Å; Q483-C487 PolarHBondContact O-N 2.96Å; Q483-C487 PolarHBondContact O-SG 2.99Å; I484-C487 PolarHBondContact O-N 3.45Å; C487-T490 PolarHBondContact O-OG1 3.03Å
488Y90Very high88.7Confident5 Ų543.6 Ų43.62%0.0223%0.234CC..Hα-helixtrans-65.7-36.8176.2-87.2-78.1000112.9Y278 R279 I280 L342 N411 T440 I484 H486 L491Y278-Y488 VanDerWaalsContact CA-OH 3.28Å; Y278-Y488 WeakPolarHBondContact CA-OH 3.48Å; Y278-Y488 HydrophobicContact CD1-CD1 4.22Å; Y278-Y488 HydrophobicContact CD1-CD2 4.34Å; Y278-Y488 AromaticContact CD1-CE1 3.91Å; Y278-Y488 HydrophobicContact CD1-CE1 3.91Å; Y278-Y488 HydrophobicContact CD1-CE2 4.04Å; Y278-Y488 HydrophobicContact CD1-CG 4.43Å; Y278-Y488 AromaticContact CD1-CZ 3.82Å; R279-Y488 PolarHBondContact N-OH 3.1Å; I280-Y488 HydrophobicContact CB-CE2 4.21Å; I280-Y488 WeakPolarHBondContact CB-OH 3.46Å; I280-Y488 HydrophobicContact CD1-CE2 4.06Å; I280-Y488 HydrophobicContact CG1-CE2 4.3Å; I280-Y488 PolarHBondContact N-OH 2.75Å; I280-Y488 PolarHBondContact O-OH 2.79Å; L342-Y488 WeakPolarHBondContact CD1-O 3.37Å; N411-Y488 WeakPolarHBondContact OD1-CE1 3.44Å; N411-Y488 PolarHBondContact OD1-OH 2.83Å; T440-Y488 HydrophobicContact CG2-CD1 4.13Å; T440-Y488 HydrophobicContact CG2-CD2 4.03Å; T440-Y488 HydrophobicContact CG2-CE1 4.33Å; T440-Y488 HydrophobicContact CG2-CE2 4.24Å; T440-Y488 HydrophobicContact CG2-CG 3.98Å; I484-Y488 HydrophobicContact CG2-CD2 3.82Å; I484-Y488 HydrophobicContact CG2-CE2 3.93Å; I484-Y488 WeakPolarHBondContact O-CD2 3.41Å; I484-Y488 PolarHBondContact O-N 3.27Å; H486-Y488 VanDerWaalsContact C-N 3.3Å; H486-Y488 PolarHBondContact O-N 3.05Å; Y488-L491 HydrophobicContact CD1-CD1 4.39Å; Y488-L491 WeakPolarHBondContact O-CG 3.43Å
489S87.3Confident88.1Confident9 Ų945.8 Ų45.86%0.06325%0.245CC..Hα-helixtrans-77-21.8-179.766.30000114.6L342 K445 A485 H486L342-S489 VanDerWaalsContact CD2-O 3.25Å; L342-S489 WeakPolarHBondContact CD2-O 3.08Å; K445-S489 PolarHBondContact NZ-OG 3.14Å; A485-S489 WeakPolarHBondContact O-CB 3.32Å; A485-S489 PolarHBondContact O-N 2.98Å; A485-S489 PolarHBondContact O-OG 3.15Å; A485-S489 VanDerWaalsContact O-OG 3.12Å; H486-S489 WeakPolarHBondContact CA-OG 3.43Å; H486-S489 CarbonylContact O-C 3.54Å; H486-S489 WeakPolarHBondContact O-CA 3.43Å; H486-S489 PolarHBondContact O-N 3.35Å; H486-S489 PolarHBondContact O-OG 2.92Å
490T86.3Confident87.6Confident67 Ų6745.3 Ų45.341%0.41123%0.232SC..THydrogen-bonded Turntrans-95.27.5-178.953.90000114.1H486 C487 S492H486-T490 WeakPolarHBondContact CE1-CG2 3.48Å; H486-T490 PolarHBondContact O-N 3.31Å; H486-T490 PolarHBondContact O-OG1 3.27Å; H486-T490 VanDerWaalsContact O-OG1 3.06Å; C487-T490 PolarHBondContact O-OG1 3.03Å; T490-S492 PolarHBondContact O-N 2.64Å; T490-S492 VanDerWaalsContact O-N 3.11Å
491L83.8Confident86.9Confident10 Ų1046.4 Ų46.45%0.05224%0.236CC..  trans-54.5119.8178.7-71175.4000111.2Y278 L342 P343 L345 R416 Y488Y278-L491 HydrophobicContact CE1-CD2 3.72Å; Y278-L491 HydrophobicContact CE1-CG 4.36Å; L342-L491 HydrophobicContact CD2-CB 4.31Å; P343-L491 WeakPolarHBondContact CD-O 3.43Å; P343-L491 HydrophobicContact CG-CB 3.82Å; L345-L491 HydrophobicContact CD1-CD1 4.05Å; L345-L491 HydrophobicContact CD1-CD2 4.24Å; L345-L491 HydrophobicContact CD2-CD1 4.44Å; L345-L491 HydrophobicContact CD2-CD2 3.81Å; L345-L491 HydrophobicContact CG-CD1 4.03Å; L345-L491 HydrophobicContact CG-CD2 4.25Å; R416-L491 PolarHBondContact NH2-O 3.42Å; Y488-L491 HydrophobicContact CD1-CD1 4.39Å; Y488-L491 WeakPolarHBondContact O-CG 3.43Å
492S78.6Confident86.2Confident59 Ų5949.9 Ų49.941%0.41325%0.254SS..  trans-94145.8176.858.10000111P343 T490 H494P343-S492 WeakPolarHBondContact CG-O 3.44Å; T490-S492 PolarHBondContact O-N 2.64Å; T490-S492 VanDerWaalsContact O-N 3.11Å; S492-H494 WeakPolarHBondContact CB-O 3.49Å; S492-H494 PolarHBondContact O-N 2.61Å; S492-H494 PolarHBondContact OG-O 3.15Å
493W69.9Low85.4Confident13 Ų1345.8 Ų45.85%0.04924%0.237CC..  trans-73.5-13.7173.2-70.289.7000113.2I337 E338 R341 P343 D373 S377I337-W493 HydrophobicContact CG2-CH2 4.25Å; I337-W493 HydrophobicContact CG2-CZ2 4.04Å; E338-W493 HydrophobicContact CB-CG 4.32Å; E338-W493 HydrophobicContact CG-CB 4.24Å; E338-W493 HydrophobicContact CG-CD2 4Å; E338-W493 HydrophobicContact CG-CG 3.77Å; R341-W493 HydrophobicContact CB-CZ2 4.38Å; R341-W493 PolarHBondContact O-NE1 3.45Å; P343-W493 HydrophobicContact CB-CD2 3.8Å; P343-W493 HydrophobicContact CB-CE3 3.84Å; P343-W493 HydrophobicContact CB-CG 4.35Å; P343-W493 HydrophobicContact CB-CH2 4.31Å; P343-W493 HydrophobicContact CB-CZ2 4.26Å; P343-W493 HydrophobicContact CB-CZ3 4.09Å; P343-W493 HydrophobicContact CG-CD2 4.43Å; D373-W493 VanDerWaalsContact O-CZ3 3.24Å; D373-W493 WeakPolarHBondContact O-CZ3 3.44Å; S377-W493 PolarHBondContact N-O 2.75Å
494H65.3Low84.6Confident153 Ų15339.7 Ų39.771%0.70821%0.21SC*.  trans-1160-177.3-54.2-45.1000111.2S492S492-H494 WeakPolarHBondContact CB-O 3.49Å; S492-H494 PolarHBondContact O-N 2.61Å; S492-H494 PolarHBondContact OG-O 3.15Å

Retrieved 494 of 494 residues in 650 ms (Link to these results)

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