A0A077ZHQ6_TRITR Loading...

Lipase maturation factor

Involved in the maturation of specific proteins in the endoplasmic reticulum.

AlphaFold DB , UniProt , Accession A0A077ZHQ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 543 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
1M35.8Very low69.4Low208 Ų20868.8 Ų68.8100%1.02539%0.393SS*.  0129.70-67.2-179.2-174.400107.4N3M1-N3 PolarHBondContact O-N 3.19Å
2G49.7Very low69.9Low67 Ų6773.3 Ų73.369%0.69141%0.408SS*.PPolyproline II helixtrans-57.8138.3-175.700000112L4G2-L4 PolarHBondContact O-N 2.8Å
3N66.3Low70.4Confident143 Ų14379.5 Ų79.577%0.76544%0.435SS*.PPolyproline II helixtrans-52.1132171.3-72.7-18.5000108.3M1M1-N3 PolarHBondContact O-N 3.19Å
4L67.4Low71Confident24 Ų2479 Ų7913%0.12644%0.435CS..PPolyproline II helixtrans-53.3140.4173-77.2160.9000108.6G2 T6 H9 Q60 K329 Y330G2-L4 PolarHBondContact O-N 2.8Å; L4-T6 VanDerWaalsContact C-N 3.35Å; L4-T6 PolarHBondContact O-N 3.2Å; L4-H9 PolarHBondContact O-CE1 2.81Å; L4-H9 VanDerWaalsContact O-CE1 3.31Å; L4-Q60 HydrophobicContact CD1-CG 4.15Å; L4-K329 HydrophobicContact CD1-CB 4.01Å; L4-K329 HydrophobicContact CD1-CD 4.22Å; L4-K329 HydrophobicContact CD1-CG 4.07Å; L4-K329 WeakPolarHBondContact CD1-O 3.34Å; L4-K329 HydrophobicContact CD2-CD 4.41Å; L4-K329 HydrophobicContact CG-CD 4.33Å; L4-Y330 HydrophobicContact CD2-CD1 3.79Å; L4-Y330 HydrophobicContact CD2-CE1 3.14Å
5P71Confident71.8Confident77 Ų7776.8 Ų76.850%0.543%0.428SS..  trans-61.2104.6170.826.6-32.1000107.6Y53P5-Y53 WeakPolarHBondContact CB-OH 3.43Å; P5-Y53 HydrophobicContact CG-CE2 4.29Å; P5-Y53 WeakPolarHBondContact O-CE2 3.49Å; P5-Y53 VanDerWaalsContact O-CZ 3.29Å; P5-Y53 PolarHBondContact O-OH 3.45Å
6T81.6Confident72.5Confident17 Ų1772.6 Ų72.610%0.10440%0.404CS..  trans-98.6167.2172.357.30000110.9L4 L8 H9 S57 Q60 V61L4-T6 VanDerWaalsContact C-N 3.35Å; L4-T6 PolarHBondContact O-N 3.2Å; T6-L8 PolarHBondContact O-N 2.97Å; T6-L8 WeakPolarHBondContact OG1-CB 3.34Å; T6-H9 PolarHBondContact N-ND1 2.84Å; T6-H9 VanDerWaalsContact N-ND1 3.11Å; T6-H9 WeakPolarHBondContact O-CB 3.23Å; T6-H9 PolarHBondContact O-N 3.38Å; T6-H9 PolarHBondContact O-ND1 3.26Å; T6-S57 WeakPolarHBondContact CA-OG 3.47Å; T6-S57 WeakPolarHBondContact CB-OG 3.37Å; T6-Q60 HydrophobicContact CG2-CB 3.78Å; T6-Q60 HydrophobicContact CG2-CG 4.44Å; T6-V61 HydrophobicContact CG2-CG2 4.28Å
7I81.1Confident73Confident9 Ų970.4 Ų70.45%0.04640%0.395CS..Hα-helixtrans-50.8-22.1168.2-158.2157.6000113.3L10 S11 A21 M22 L54 S57 F58 V61I7-L10 CarbonylContact O-C 3.55Å; I7-L10 WeakPolarHBondContact O-CB 3.29Å; I7-L10 PolarHBondContact O-N 2.89Å; I7-S11 PolarHBondContact O-N 3.25Å; I7-A21 WeakPolarHBondContact CD1-O 3.43Å; I7-A21 HydrophobicContact CG1-CB 4.3Å; I7-M22 HydrophobicContact CG2-CG 4.17Å; I7-L54 HydrophobicContact CD1-CD2 4.5Å; I7-S57 WeakPolarHBondContact CB-OG 3.47Å; I7-S57 VanDerWaalsContact CG2-OG 3.3Å; I7-S57 WeakPolarHBondContact CG2-OG 3.37Å; I7-S57 PolarHBondContact N-OG 3.14Å; I7-F58 HydrophobicContact CD1-CE2 4.46Å; I7-F58 HydrophobicContact CD1-CZ 4.42Å; I7-V61 HydrophobicContact CG2-CG2 4.43Å
8L79.8Confident73.5Confident55 Ų5569.9 Ų69.929%0.28840%0.395SS..Hα-helixtrans-64.4-36.3171.1-58.8-178000113T6 L10 S11 E12 P18 V61T6-L8 PolarHBondContact O-N 2.97Å; T6-L8 WeakPolarHBondContact OG1-CB 3.34Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-S11 VanDerWaalsContact O-CB 3.24Å; L8-S11 WeakPolarHBondContact O-CB 3.32Å; L8-S11 PolarHBondContact O-N 3.47Å; L8-S11 VanDerWaalsContact O-N 3.14Å; L8-S11 PolarHBondContact O-OG 3.37Å; L8-E12 PolarHBondContact O-N 2.83Å; L8-P18 HydrophobicContact CD2-CB 3.64Å; L8-P18 HydrophobicContact CD2-CG 4.26Å; L8-V61 HydrophobicContact CD1-CG1 4.15Å; L8-V61 HydrophobicContact CD1-CG2 3.72Å; L8-V61 HydrophobicContact CD2-CG1 4.19Å; L8-V61 HydrophobicContact CD2-CG2 4.35Å; L8-V61 HydrophobicContact CG-CG1 4.31Å; L8-V61 HydrophobicContact CG-CG2 3.69Å
9H80.2Confident74Confident76 Ų7669.8 Ų69.835%0.35240%0.399SS..Hα-helixtrans-67.7-38173.5-60.497.1000110.6L4 T6 S11 E12 M13L4-H9 PolarHBondContact O-CE1 2.81Å; L4-H9 VanDerWaalsContact O-CE1 3.31Å; T6-H9 PolarHBondContact N-ND1 2.84Å; T6-H9 VanDerWaalsContact N-ND1 3.11Å; T6-H9 WeakPolarHBondContact O-CB 3.23Å; T6-H9 PolarHBondContact O-N 3.38Å; T6-H9 PolarHBondContact O-ND1 3.26Å; H9-S11 VanDerWaalsContact C-N 3.26Å; H9-S11 PolarHBondContact O-N 2.86Å; H9-E12 WeakPolarHBondContact O-CB 3.5Å; H9-E12 PolarHBondContact O-N 3.14Å; H9-M13 PolarHBondContact O-N 2.87Å
10L73.3Confident74.7Confident79 Ų7966.8 Ų66.841%0.41438%0.381SS..Hα-helixtrans-64.6-32.1172-63.8175.8000111.7I7 L8 E12 M13 V14I7-L10 CarbonylContact O-C 3.55Å; I7-L10 WeakPolarHBondContact O-CB 3.29Å; I7-L10 PolarHBondContact O-N 2.89Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L10-E12 VanDerWaalsContact C-N 3.25Å; L10-E12 PolarHBondContact O-N 2.96Å; L10-M13 HydrophobicContact CD2-SD 4.29Å; L10-M13 PolarHBondContact O-N 2.86Å; L10-V14 WeakPolarHBondContact O-CG2 3.46Å; L10-V14 PolarHBondContact O-N 2.91Å
11S77.6Confident75.3Confident2 Ų263.8 Ų63.81%0.01437%0.365CS..Hα-helixtrans-60.6-36.9174.8880000112I7 L8 H9 S15 L16 A21 R494I7-S11 PolarHBondContact O-N 3.25Å; L8-S11 VanDerWaalsContact O-CB 3.24Å; L8-S11 WeakPolarHBondContact O-CB 3.32Å; L8-S11 PolarHBondContact O-N 3.47Å; L8-S11 VanDerWaalsContact O-N 3.14Å; L8-S11 PolarHBondContact O-OG 3.37Å; H9-S11 VanDerWaalsContact C-N 3.26Å; H9-S11 PolarHBondContact O-N 2.86Å; S11-S15 WeakPolarHBondContact O-CA 3.46Å; S11-S15 PolarHBondContact O-N 3.45Å; S11-L16 PolarHBondContact O-N 2.84Å; S11-A21 VanDerWaalsContact CB-CB 3.42Å; S11-R494 PolarHBondContact OG-NH1 3.46Å
12E75.7Confident77.9Confident123 Ų12356.1 Ų56.158%0.57533%0.327SS*.Hα-helixtrans-70.2-41.1177.7-65.9176.9171.900110.9L8 H9 L10L8-E12 PolarHBondContact O-N 2.83Å; H9-E12 WeakPolarHBondContact O-CB 3.5Å; H9-E12 PolarHBondContact O-N 3.14Å; L10-E12 VanDerWaalsContact C-N 3.25Å; L10-E12 PolarHBondContact O-N 2.96Å
13M75.9Confident79.8Confident154 Ų15455.1 Ų55.176%0.75931%0.305SS*.Hα-helixtrans-67.5-38.9178.6-62.4-178.280.600112.9H9 L10H9-M13 PolarHBondContact O-N 2.87Å; L10-M13 HydrophobicContact CD2-SD 4.29Å; L10-M13 PolarHBondContact O-N 2.86Å
14V79.3Confident81Confident72 Ų7249.7 Ų49.744%0.43628%0.28SS..Hα-helixtrans-95-0.5-175.3-1710000112.4L10 L16L10-V14 WeakPolarHBondContact O-CG2 3.46Å; L10-V14 PolarHBondContact O-N 2.91Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 HydrophobicContact CB-CD1 4.49Å; V14-L16 HydrophobicContact CB-CG 4.41Å; V14-L16 HydrophobicContact CG1-CD1 4.12Å; V14-L16 HydrophobicContact CG1-CG 4.12Å; V14-L16 PolarHBondContact O-N 3.13Å
15S82.1Confident82.1Confident46 Ų4648.8 Ų48.832%0.32228%0.276SS..THydrogen-bonded Turntrans55.742.3-176.7-53.50000113.4S11 P495S11-S15 WeakPolarHBondContact O-CA 3.46Å; S11-S15 PolarHBondContact O-N 3.45Å; S15-P495 VanDerWaalsContact CB-O 3.23Å; S15-P495 WeakPolarHBondContact CB-O 3.43Å
16L83.2Confident83.1Confident10 Ų1049.4 Ų49.45%0.05227%0.274CS..  trans-99.3153171.4-67.8176.3000110.1S11 V14 E20 A21 A24 R494 A500 L504S11-L16 PolarHBondContact O-N 2.84Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 HydrophobicContact CB-CD1 4.49Å; V14-L16 HydrophobicContact CB-CG 4.41Å; V14-L16 HydrophobicContact CG1-CD1 4.12Å; V14-L16 HydrophobicContact CG1-CG 4.12Å; V14-L16 PolarHBondContact O-N 3.13Å; L16-E20 HydrophobicContact CB-CB 4.1Å; L16-E20 HydrophobicContact CD2-CB 4.18Å; L16-A21 HydrophobicContact CB-CB 4.27Å; L16-A24 HydrophobicContact CD1-CB 4.35Å; L16-R494 PolarHBondContact O-NH1 3.2Å; L16-A500 HydrophobicContact CD2-CB 4.07Å; L16-L504 HydrophobicContact CD2-CD1 4.45Å
17S81.8Confident83.7Confident35 Ų3551.2 Ų51.225%0.24528%0.283CS..  trans-65.3156.5164.666.10000110.5S19 E20 A21S17-S19 PolarHBondContact O-N 3.48Å; S17-E20 VanDerWaalsContact CB-OE2 3.27Å; S17-E20 WeakPolarHBondContact CB-OE2 3.3Å; S17-E20 PolarHBondContact N-OE2 3.39Å; S17-E20 PolarHBondContact O-N 3.23Å; S17-E20 VanDerWaalsContact O-N 3.12Å; S17-E20 WeakPolarHBondContact OG-CB 3.08Å; S17-E20 WeakPolarHBondContact OG-CG 3.49Å; S17-E20 PolarHBondContact OG-N 2.91Å; S17-E20 PolarHBondContact OG-OE2 2.82Å; S17-A21 WeakPolarHBondContact O-CB 3.42Å; S17-A21 PolarHBondContact O-N 3.41Å
18P81.9Confident84.2Confident61 Ų6154.3 Ų54.340%0.39630%0.302SS..Hα-helixtrans-49.5-42.1173.4-33.139000113.7L8 A21 M22L8-P18 HydrophobicContact CD2-CB 3.64Å; L8-P18 HydrophobicContact CD2-CG 4.26Å; P18-A21 PolarHBondContact O-N 3.13Å; P18-M22 WeakPolarHBondContact O-CG 3.41Å; P18-M22 PolarHBondContact O-N 3.26Å
19S83Confident85Confident68 Ų6852.3 Ų52.348%0.47630%0.295SS..Hα-helixtrans-66.9-45.3178.1-1710000112.3S17 A21 M22 E23S17-S19 PolarHBondContact O-N 3.48Å; S19-A21 VanDerWaalsContact C-N 3.31Å; S19-A21 PolarHBondContact O-N 3.23Å; S19-M22 PolarHBondContact O-N 3.13Å; S19-E23 WeakPolarHBondContact O-CG 3.43Å; S19-E23 PolarHBondContact O-N 3.49Å
20E87.3Confident85.5Confident9 Ų952.4 Ų52.44%0.04230%0.296CS..Hα-helixtrans-65.6-36.7177.7-74.7162.8151.900111.4L16 S17 E23 A24 Q496 L504L16-E20 HydrophobicContact CB-CB 4.1Å; L16-E20 HydrophobicContact CD2-CB 4.18Å; S17-E20 VanDerWaalsContact CB-OE2 3.27Å; S17-E20 WeakPolarHBondContact CB-OE2 3.3Å; S17-E20 PolarHBondContact N-OE2 3.39Å; S17-E20 PolarHBondContact O-N 3.23Å; S17-E20 VanDerWaalsContact O-N 3.12Å; S17-E20 WeakPolarHBondContact OG-CB 3.08Å; S17-E20 WeakPolarHBondContact OG-CG 3.49Å; S17-E20 PolarHBondContact OG-N 2.91Å; S17-E20 PolarHBondContact OG-OE2 2.82Å; E20-E23 PolarHBondContact O-N 3.23Å; E20-A24 WeakPolarHBondContact O-CB 3.33Å; E20-A24 PolarHBondContact O-N 3.24Å; E20-Q496 PolarHBondContact OE1-NE2 2.85Å; E20-Q496 PolarHBondContact OE2-NE2 3.19Å; E20-L504 HydrophobicContact CB-CD1 3.69Å; E20-L504 HydrophobicContact CG-CD1 4.12Å; E20-L504 WeakPolarHBondContact O-CD1 3.44Å
21A88Confident86.4Confident5 Ų553.7 Ų53.74%0.04130%0.303CS..Hα-helixtrans-63.7-43.7175.100000111.4I7 S11 L16 S17 P18 S19 A24 G25I7-A21 WeakPolarHBondContact CD1-O 3.43Å; I7-A21 HydrophobicContact CG1-CB 4.3Å; S11-A21 VanDerWaalsContact CB-CB 3.42Å; L16-A21 HydrophobicContact CB-CB 4.27Å; S17-A21 WeakPolarHBondContact O-CB 3.42Å; S17-A21 PolarHBondContact O-N 3.41Å; P18-A21 PolarHBondContact O-N 3.13Å; S19-A21 VanDerWaalsContact C-N 3.31Å; S19-A21 PolarHBondContact O-N 3.23Å; A21-A24 PolarHBondContact O-N 3.18Å; A21-G25 PolarHBondContact O-N 3.37Å
22M88.8Confident87.2Confident46 Ų4655.1 Ų55.123%0.22731%0.312CS..Hα-helixtrans-60.5-44.7172.5-72.4-178.579.200111.7I7 P18 S19 A24 G25 L26 F58 V61I7-M22 HydrophobicContact CG2-CG 4.17Å; P18-M22 WeakPolarHBondContact O-CG 3.41Å; P18-M22 PolarHBondContact O-N 3.26Å; S19-M22 PolarHBondContact O-N 3.13Å; M22-A24 PolarHBondContact O-N 2.85Å; M22-G25 PolarHBondContact O-N 2.97Å; M22-L26 WeakPolarHBondContact O-CG 3.37Å; M22-L26 PolarHBondContact O-N 2.81Å; M22-F58 HydrophobicContact CB-CE1 3.86Å; M22-F58 HydrophobicContact CB-CZ 4.45Å; M22-F58 HydrophobicContact CE-CD1 3.56Å; M22-F58 HydrophobicContact CE-CE1 3.92Å; M22-F58 HydrophobicContact CG-CE1 4.22Å; M22-F58 WeakPolarHBondContact O-CE1 3.28Å; M22-F58 WeakPolarHBondContact O-CZ 3.39Å; M22-V61 HydrophobicContact CE-CG1 4.23Å; M22-V61 HydrophobicContact SD-CB 4.48Å; M22-V61 HydrophobicContact SD-CG1 3.65Å
23E90.4Very high88.1Confident47 Ų4751.3 Ų51.322%0.2230%0.301CS..Hα-helixtrans-62-43.4176.9-71.5173.4174.600112.5S19 E20 G25 L26 L27 L504 R508S19-E23 WeakPolarHBondContact O-CG 3.43Å; S19-E23 PolarHBondContact O-N 3.49Å; E20-E23 PolarHBondContact O-N 3.23Å; E23-G25 VanDerWaalsContact C-N 3.33Å; E23-G25 PolarHBondContact O-N 2.9Å; E23-L26 WeakPolarHBondContact O-CB 3.34Å; E23-L26 PolarHBondContact O-N 2.92Å; E23-L27 WeakPolarHBondContact O-CG 3.26Å; E23-L27 PolarHBondContact O-N 3.34Å; E23-L504 HydrophobicContact CB-CD2 4.03Å; E23-R508 IonicContact OE1-CZ 2.75Å; E23-R508 IonicContact OE1-NE 2.68Å; E23-R508 PolarHBondContact OE1-NE 2.99Å; E23-R508 IonicContact OE1-NH2 3.59Å; E23-R508 PolarHBondContact OE1-NH2 3.4Å; E23-R508 IonicContact OE2-CZ 2.82Å; E23-R508 IonicContact OE2-NE 2.75Å; E23-R508 IonicContact OE2-NH2 3.6Å; E23-R508 PolarHBondContact OE2-NH2 3.36Å
24A90.9Very high88.8Confident29 Ų2944.9 Ų44.924%0.2428%0.275CS..Hα-helixtrans-60.3-43.517500000111.5L16 E20 A21 M22 L26 L27 V28 L504L16-A24 HydrophobicContact CD1-CB 4.35Å; E20-A24 WeakPolarHBondContact O-CB 3.33Å; E20-A24 PolarHBondContact O-N 3.24Å; A21-A24 PolarHBondContact O-N 3.18Å; M22-A24 PolarHBondContact O-N 2.85Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 PolarHBondContact O-N 2.89Å; A24-L27 PolarHBondContact O-N 2.97Å; A24-V28 WeakPolarHBondContact O-CG2 3.28Å; A24-V28 PolarHBondContact O-N 2.89Å; A24-L504 HydrophobicContact CB-CD1 4.38Å; A24-L504 HydrophobicContact CB-CD2 4.21Å
25G92.2Very high89.2Confident4 Ų444.5 Ų44.54%0.04127%0.27CS..Hα-helixtrans-60.1-38.917500000113.4A21 M22 E23 G29A21-G25 PolarHBondContact O-N 3.37Å; M22-G25 PolarHBondContact O-N 2.97Å; E23-G25 VanDerWaalsContact C-N 3.33Å; E23-G25 PolarHBondContact O-N 2.9Å; G25-G29 PolarHBondContact O-N 2.92Å
26L92.1Very high89.6Confident90 Ų9042.6 Ų42.647%0.47126%0.256SS..Hα-helixtrans-64.2-46.4175.4-71.6173.1000111M22 E23 A24 G29 M30 F58M22-L26 WeakPolarHBondContact O-CG 3.37Å; M22-L26 PolarHBondContact O-N 2.81Å; E23-L26 WeakPolarHBondContact O-CB 3.34Å; E23-L26 PolarHBondContact O-N 2.92Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 PolarHBondContact O-N 2.89Å; L26-G29 PolarHBondContact O-N 3.19Å; L26-M30 WeakPolarHBondContact O-CB 3.2Å; L26-M30 WeakPolarHBondContact O-CG 3.39Å; L26-M30 PolarHBondContact O-N 3.35Å; L26-F58 HydrophobicContact CB-CZ 4.38Å; L26-F58 HydrophobicContact CD1-CE1 4.18Å; L26-F58 HydrophobicContact CD2-CD1 4.21Å; L26-F58 HydrophobicContact CD2-CE1 3.59Å; L26-F58 HydrophobicContact CD2-CE2 4.24Å; L26-F58 HydrophobicContact CD2-CZ 3.64Å; L26-F58 HydrophobicContact CG-CE1 3.52Å; L26-F58 HydrophobicContact CG-CZ 3.53Å
27L92.4Very high89.8Confident56 Ų5645.6 Ų45.629%0.29327%0.269SS..Hα-helixtrans-62.5-43.7179-67177.3000111.7E23 A24 M30 L31 F503 L504 A507E23-L27 WeakPolarHBondContact O-CG 3.26Å; E23-L27 PolarHBondContact O-N 3.34Å; A24-L27 PolarHBondContact O-N 2.97Å; L27-M30 HydrophobicContact CD2-CE 3.6Å; L27-M30 HydrophobicContact CG-CE 4.5Å; L27-M30 PolarHBondContact O-N 2.8Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 PolarHBondContact O-N 3.18Å; L27-F503 HydrophobicContact CD1-CD1 4.45Å; L27-F503 HydrophobicContact CD1-CE1 3.69Å; L27-F503 HydrophobicContact CD1-CZ 4.47Å; L27-L504 HydrophobicContact CD1-CD2 3.7Å; L27-A507 HydrophobicContact CD1-CB 4.18Å
28V93.2Very high89.9Confident73 Ų7347 Ų4744%0.44228%0.277SS..Hα-helixtrans-62.5-45.7174.7173.70000110.6A24 M30 L31 V32 L54A24-V28 WeakPolarHBondContact O-CG2 3.28Å; A24-V28 PolarHBondContact O-N 2.89Å; V28-M30 PolarHBondContact O-N 2.66Å; V28-L31 PolarHBondContact O-N 3.22Å; V28-V32 HydrophobicContact CG1-CG2 4.25Å; V28-V32 VanDerWaalsContact O-CG2 3.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.19Å; V28-V32 PolarHBondContact O-N 3.13Å; V28-L54 HydrophobicContact CB-CD1 4.47Å; V28-L54 HydrophobicContact CG1-CD1 4.04Å
29G95Very high90Very high13 Ų1349.5 Ų49.513%0.13428%0.281CS..Hα-helixtrans-59.5-46.6177.400000112.5G25 L26 L31 V32 A33 L51G25-G29 PolarHBondContact O-N 2.92Å; L26-G29 PolarHBondContact O-N 3.19Å; G29-L31 PolarHBondContact O-N 2.86Å; G29-V32 PolarHBondContact O-N 3.19Å; G29-A33 WeakPolarHBondContact O-CB 3.16Å; G29-A33 PolarHBondContact O-N 2.82Å; G29-L51 VanDerWaalsContact O-CD2 3.26Å; G29-L51 WeakPolarHBondContact O-CD2 3.5Å
30M91.8Very high90Very high78 Ų7849.7 Ų49.738%0.38428%0.28SS..Hα-helixtrans-61.3-42.9175.9-73.8-170.1-64.200112.1L26 L27 V28 G34 F519 I523L26-M30 WeakPolarHBondContact O-CB 3.2Å; L26-M30 WeakPolarHBondContact O-CG 3.39Å; L26-M30 PolarHBondContact O-N 3.35Å; L27-M30 HydrophobicContact CD2-CE 3.6Å; L27-M30 HydrophobicContact CG-CE 4.5Å; L27-M30 PolarHBondContact O-N 2.8Å; V28-M30 PolarHBondContact O-N 2.66Å; M30-G34 PolarHBondContact O-N 3.28Å; M30-F519 HydrophobicContact SD-CE1 4.37Å; M30-I523 HydrophobicContact SD-CD1 3.69Å
31L92.1Very high89.8Confident107 Ų10753.6 Ų53.656%0.5630%0.3SS*.Hα-helixtrans-62.6-51.4177.2-179.164.8000111.1L27 V28 G29 A33 G34 L35L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 PolarHBondContact O-N 3.18Å; V28-L31 PolarHBondContact O-N 3.22Å; G29-L31 PolarHBondContact O-N 2.86Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 3.02Å; L31-G34 PolarHBondContact O-N 3.26Å; L31-L35 HydrophobicContact CD1-CD1 3.87Å; L31-L35 HydrophobicContact CD1-CG 4.04Å; L31-L35 HydrophobicContact CG-CD1 3.87Å; L31-L35 HydrophobicContact CG-CG 4.38Å; L31-L35 VanDerWaalsContact O-CB 3.29Å; L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.47Å
32V94.2Very high89.9Confident32 Ų3256 Ų5619%0.19431%0.312CS..Hα-helixtrans-61.8-41.4179.8174.70000111V28 G29 S36 L51V28-V32 HydrophobicContact CG1-CG2 4.25Å; V28-V32 VanDerWaalsContact O-CG2 3.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.19Å; V28-V32 PolarHBondContact O-N 3.13Å; G29-V32 PolarHBondContact O-N 3.19Å; V32-S36 VanDerWaalsContact O-CB 3.23Å; V32-S36 WeakPolarHBondContact O-CB 3.45Å; V32-S36 PolarHBondContact O-N 3.15Å; V32-S36 PolarHBondContact O-OG 2.91Å; V32-L51 HydrophobicContact CB-CD2 3.94Å; V32-L51 HydrophobicContact CB-CG 4.42Å; V32-L51 HydrophobicContact CG1-CD1 4.25Å; V32-L51 HydrophobicContact CG1-CD2 3.91Å; V32-L51 HydrophobicContact CG1-CG 3.83Å
33A93.6Very high89.9Confident42 Ų4258.6 Ų58.635%0.34732%0.319SS..Hα-helixtrans-64.7-49.7177.600000111.6G29 L31 L35 S36 F37 L51G29-A33 WeakPolarHBondContact O-CB 3.16Å; G29-A33 PolarHBondContact O-N 2.82Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 3.02Å; A33-L35 PolarHBondContact O-N 3.12Å; A33-S36 PolarHBondContact O-N 2.68Å; A33-F37 WeakPolarHBondContact O-CB 3.28Å; A33-F37 PolarHBondContact O-N 3.45Å; A33-L51 HydrophobicContact CB-CD1 4.26Å; A33-L51 HydrophobicContact CB-CD2 4.01Å
34G90.4Very high89.9Confident20 Ų2056.8 Ų56.821%0.20631%0.311CS..Hα-helixtrans-63.1-40.1179.100000113.1M30 L31 F37 T38M30-G34 PolarHBondContact O-N 3.28Å; L31-G34 PolarHBondContact O-N 3.26Å; G34-F37 PolarHBondContact O-N 3.2Å; G34-T38 WeakPolarHBondContact O-CB 3.5Å; G34-T38 PolarHBondContact O-N 2.8Å; G34-T38 VanDerWaalsContact O-N 3.09Å; G34-T38 PolarHBondContact O-OG1 2.6Å
35L89.4Confident90Very high64 Ų6456.4 Ų56.434%0.33531%0.306SS..Hα-helixtrans-67.9-40.5174.4-69.2177.7000112.1L31 A33 F37 T38 F39 L42L31-L35 HydrophobicContact CD1-CD1 3.87Å; L31-L35 HydrophobicContact CD1-CG 4.04Å; L31-L35 HydrophobicContact CG-CD1 3.87Å; L31-L35 HydrophobicContact CG-CG 4.38Å; L31-L35 VanDerWaalsContact O-CB 3.29Å; L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.47Å; A33-L35 PolarHBondContact O-N 3.12Å; L35-F37 VanDerWaalsContact C-N 3.33Å; L35-F37 PolarHBondContact O-N 2.83Å; L35-T38 PolarHBondContact O-N 2.98Å; L35-F39 HydrophobicContact CB-CD2 4.48Å; L35-F39 HydrophobicContact CD2-CD2 3.99Å; L35-F39 HydrophobicContact CD2-CE2 3.75Å; L35-F39 WeakPolarHBondContact O-CB 3.47Å; L35-F39 WeakPolarHBondContact O-CD2 3.39Å; L35-F39 PolarHBondContact O-N 3.5Å; L35-L42 HydrophobicContact CB-CD1 3.49Å; L35-L42 VanDerWaalsContact CB-CD1 3.49Å; L35-L42 HydrophobicContact CD1-CD1 4.36Å; L35-L42 HydrophobicContact CG-CD1 4.43Å
36S89.5Confident90Very high5 Ų560.6 Ų60.64%0.03532%0.323CS..Hα-helixtrans-66.5-35.3176-58.80000112.5V32 A33 L42 R43V32-S36 VanDerWaalsContact O-CB 3.23Å; V32-S36 WeakPolarHBondContact O-CB 3.45Å; V32-S36 PolarHBondContact O-N 3.15Å; V32-S36 PolarHBondContact O-OG 2.91Å; A33-S36 PolarHBondContact O-N 2.68Å; S36-L42 PolarHBondContact OG-O 2.76Å; S36-R43 WeakPolarHBondContact O-CG 3.4Å; S36-R43 PolarHBondContact O-NE 2.9Å; S36-R43 VanDerWaalsContact O-NE 3.15Å
37F87Confident90.1Very high73 Ų7357 Ų5732%0.3231%0.305SS..Hα-helixtrans-64.9-43.6174.8-168.1-92.4000111.2A33 G34 L35 R43 V527 L528 V531A33-F37 WeakPolarHBondContact O-CB 3.28Å; A33-F37 PolarHBondContact O-N 3.45Å; G34-F37 PolarHBondContact O-N 3.2Å; L35-F37 VanDerWaalsContact C-N 3.33Å; L35-F37 PolarHBondContact O-N 2.83Å; F37-R43 PolarHBondContact O-NH2 3.08Å; F37-V527 HydrophobicContact CB-CG1 3.93Å; F37-V527 HydrophobicContact CD1-CG1 3.29Å; F37-V527 VanDerWaalsContact CD1-O 3.26Å; F37-V527 WeakPolarHBondContact CD1-O 3.19Å; F37-V527 HydrophobicContact CD2-CG1 3.87Å; F37-V527 HydrophobicContact CE1-CG1 3.65Å; F37-V527 WeakPolarHBondContact CE1-O 3.08Å; F37-V527 HydrophobicContact CE2-CG1 4.19Å; F37-V527 HydrophobicContact CG-CG1 3.4Å; F37-V527 HydrophobicContact CZ-CG1 4.1Å; F37-L528 HydrophobicContact CE1-CD2 4.48Å; F37-L528 HydrophobicContact CZ-CD2 3.81Å; F37-V531 HydrophobicContact CD1-CG2 4.21Å; F37-V531 HydrophobicContact CE1-CB 4.24Å; F37-V531 HydrophobicContact CE1-CG2 3.37Å; F37-V531 HydrophobicContact CZ-CG2 3.92Å
38T84.3Confident90.2Very high66 Ų6657.6 Ų57.641%0.40530%0.304SS..Hα-helixtrans-79.8-44.2-175.1-51.80000112.9G34 L35G34-T38 WeakPolarHBondContact O-CB 3.5Å; G34-T38 PolarHBondContact O-N 2.8Å; G34-T38 VanDerWaalsContact O-N 3.09Å; G34-T38 PolarHBondContact O-OG1 2.6Å; L35-T38 PolarHBondContact O-N 2.98Å
39F84.9Confident90.4Very high113 Ų11357.7 Ų57.750%0.49630%0.302SS..  trans-108117.8-172.5-60.3-74.6000112L35 L41 L42L35-F39 HydrophobicContact CB-CD2 4.48Å; L35-F39 HydrophobicContact CD2-CD2 3.99Å; L35-F39 HydrophobicContact CD2-CE2 3.75Å; L35-F39 WeakPolarHBondContact O-CB 3.47Å; L35-F39 WeakPolarHBondContact O-CD2 3.39Å; L35-F39 PolarHBondContact O-N 3.5Å; F39-L41 PolarHBondContact O-N 2.83Å; F39-L41 VanDerWaalsContact O-N 3.15Å; F39-L42 HydrophobicContact CB-CD1 4.23Å; F39-L42 HydrophobicContact CB-CG 4.37Å; F39-L42 HydrophobicContact CD2-CD1 4.38Å; F39-L42 PolarHBondContact O-N 2.87Å
40V82.4Confident90.3Very high72 Ų7260.2 Ų60.244%0.43631%0.314SS..G310 helixtrans-57.3-32.1178.7-177.40000112.5L42 R43 P93V40-L42 PolarHBondContact O-N 3.16Å; V40-R43 WeakPolarHBondContact O-CB 3.19Å; V40-R43 PolarHBondContact O-N 3.48Å; V40-R43 VanDerWaalsContact O-N 3.13Å; V40-P93 HydrophobicContact CB-CG 4.35Å; V40-P93 HydrophobicContact CG1-CB 3.67Å; V40-P93 HydrophobicContact CG1-CG 3.94Å
41L84.1Confident90.6Very high90 Ų9058.6 Ų58.647%0.47131%0.307SS..G310 helixtrans-59.8-30.2177.8-177.464.6000113F39 N44F39-L41 PolarHBondContact O-N 2.83Å; F39-L41 VanDerWaalsContact O-N 3.15Å; L41-N44 PolarHBondContact O-ND2 3.23Å; L41-N44 VanDerWaalsContact O-ND2 3.1Å
42L88.2Confident90.8Very high55 Ų5554.7 Ų54.729%0.28829%0.285SS..G310 helixtrans-90.5-1.9-177.8-64.1175.9000112.8L35 S36 F39 V40 N44 S47L35-L42 HydrophobicContact CB-CD1 3.49Å; L35-L42 VanDerWaalsContact CB-CD1 3.49Å; L35-L42 HydrophobicContact CD1-CD1 4.36Å; L35-L42 HydrophobicContact CG-CD1 4.43Å; S36-L42 PolarHBondContact OG-O 2.76Å; F39-L42 HydrophobicContact CB-CD1 4.23Å; F39-L42 HydrophobicContact CB-CG 4.37Å; F39-L42 HydrophobicContact CD2-CD1 4.38Å; F39-L42 PolarHBondContact O-N 2.87Å; V40-L42 PolarHBondContact O-N 3.16Å; L42-N44 PolarHBondContact O-N 3.49Å; L42-S47 WeakPolarHBondContact O-CB 3.24Å; L42-S47 PolarHBondContact O-OG 3.24Å
43R89Confident90.8Very high101 Ų10156.9 Ų56.938%0.38129%0.29SS..  trans-82.168.2172.8-58.1178.9-169.6170.71.3110.3S36 F37 V40 P86S36-R43 WeakPolarHBondContact O-CG 3.4Å; S36-R43 PolarHBondContact O-NE 2.9Å; S36-R43 VanDerWaalsContact O-NE 3.15Å; F37-R43 PolarHBondContact O-NH2 3.08Å; V40-R43 WeakPolarHBondContact O-CB 3.19Å; V40-R43 PolarHBondContact O-N 3.48Å; V40-R43 VanDerWaalsContact O-N 3.13Å; R43-P86 WeakPolarHBondContact O-CD 3.41Å; R43-P86 WeakPolarHBondContact O-CG 3.27Å
44N90.6Very high90.8Very high10 Ų1055.9 Ų55.95%0.05328%0.279CS..SBendtrans-133.6164.5-175.86662.1000111.5L41 L42 F46 S47 Y48 P86 R88L41-N44 PolarHBondContact O-ND2 3.23Å; L41-N44 VanDerWaalsContact O-ND2 3.1Å; L42-N44 PolarHBondContact O-N 3.49Å; N44-F46 PolarHBondContact O-N 3.33Å; N44-F46 WeakPolarHBondContact OD1-CB 3.19Å; N44-F46 PolarHBondContact OD1-N 3.26Å; N44-S47 PolarHBondContact ND2-OG 3.38Å; N44-S47 PolarHBondContact O-N 3.11Å; N44-S47 PolarHBondContact OD1-N 3.26Å; N44-S47 PolarHBondContact OD1-OG 3Å; N44-Y48 PolarHBondContact O-N 3.11Å; N44-P86 WeakPolarHBondContact CA-O 3.3Å; N44-P86 WeakPolarHBondContact CB-O 2.87Å; N44-R88 WeakPolarHBondContact CB-O 3.28Å
45T92.7Very high91.1Very high21 Ų2157.1 Ų57.113%0.12928%0.278CS..Hα-helixtrans-51-40-179.5-550000112.8Y48 L49 V82 A85 P86 V87T45-Y48 PolarHBondContact O-N 3.35Å; T45-L49 VanDerWaalsContact O-CB 3.25Å; T45-L49 WeakPolarHBondContact O-CB 3.41Å; T45-L49 PolarHBondContact O-N 2.87Å; T45-V82 HydrophobicContact CG2-CG1 3.59Å; T45-V82 WeakPolarHBondContact CG2-O 3.28Å; T45-V82 PolarHBondContact OG1-O 3.39Å; T45-A85 PolarHBondContact OG1-O 3.17Å; T45-P86 PolarHBondContact N-O 3.09Å; T45-P86 PolarHBondContact OG1-O 2.92Å; T45-V87 HydrophobicContact CG2-CG2 4.48Å; T45-V87 WeakPolarHBondContact OG1-CG2 3.49Å; T45-V87 PolarHBondContact OG1-N 3.2Å
46F93.2Very high91.3Very high91 Ų9154.4 Ų54.440%0.39926%0.264SS..Hα-helixtrans-71.1-43.5-175.4-58.6-78.8000112.1N44 Y48 L49 V50 V87 I89N44-F46 PolarHBondContact O-N 3.33Å; N44-F46 WeakPolarHBondContact OD1-CB 3.19Å; N44-F46 PolarHBondContact OD1-N 3.26Å; F46-Y48 VanDerWaalsContact C-N 3.31Å; F46-Y48 PolarHBondContact O-N 3.47Å; F46-L49 PolarHBondContact O-N 3.13Å; F46-V50 WeakPolarHBondContact O-CG2 3.43Å; F46-V50 PolarHBondContact O-N 3.26Å; F46-V87 HydrophobicContact CE2-CG1 4.26Å; F46-V87 HydrophobicContact CZ-CG1 4.35Å; F46-I89 HydrophobicContact CD2-CD1 4.05Å; F46-I89 HydrophobicContact CD2-CG1 3.58Å; F46-I89 HydrophobicContact CE2-CD1 3.68Å; F46-I89 HydrophobicContact CE2-CG1 3.39Å; F46-I89 HydrophobicContact CZ-CD1 4.03Å; F46-I89 HydrophobicContact CZ-CG1 4.24Å
47S93.9Very high91.5Very high15 Ų1554.3 Ų54.311%0.10526%0.263CS..Hα-helixtrans-59.2-44.7175.5-56.80000111.2L42 N44 V50 L51L42-S47 WeakPolarHBondContact O-CB 3.24Å; L42-S47 PolarHBondContact O-OG 3.24Å; N44-S47 PolarHBondContact ND2-OG 3.38Å; N44-S47 PolarHBondContact O-N 3.11Å; N44-S47 PolarHBondContact OD1-N 3.26Å; N44-S47 PolarHBondContact OD1-OG 3Å; S47-V50 PolarHBondContact O-N 3.23Å; S47-L51 WeakPolarHBondContact O-CG 3.4Å; S47-L51 PolarHBondContact O-N 2.66Å
48Y95.6Very high91.7Very high69 Ų6951.5 Ų51.527%0.27125%0.25SS..Hα-helixtrans-71.1-33178.9-65.4-12.6000112.5N44 T45 F46 L51 W52 A81 A85N44-Y48 PolarHBondContact O-N 3.11Å; T45-Y48 PolarHBondContact O-N 3.35Å; F46-Y48 VanDerWaalsContact C-N 3.31Å; F46-Y48 PolarHBondContact O-N 3.47Å; Y48-L51 HydrophobicContact CD1-CD1 4.19Å; Y48-L51 PolarHBondContact O-N 2.83Å; Y48-W52 VanDerWaalsContact O-CB 3.24Å; Y48-W52 WeakPolarHBondContact O-CB 3.16Å; Y48-W52 PolarHBondContact O-N 2.92Å; Y48-A81 HydrophobicContact CD2-CB 3.98Å; Y48-A81 WeakPolarHBondContact CD2-O 3.44Å; Y48-A81 HydrophobicContact CE2-CB 4.41Å; Y48-A85 HydrophobicContact CD2-CB 3.51Å; Y48-A85 HydrophobicContact CE2-CB 3.74Å
49L95.5Very high92.1Very high74 Ų7448.8 Ų48.839%0.38723%0.234SC..Hα-helixtrans-65.4-40.6174.4-176.264.9000111.2T45 F46 W52 Y53 V82T45-L49 VanDerWaalsContact O-CB 3.25Å; T45-L49 WeakPolarHBondContact O-CB 3.41Å; T45-L49 PolarHBondContact O-N 2.87Å; F46-L49 PolarHBondContact O-N 3.13Å; L49-W52 HydrophobicContact CD1-CE3 4.12Å; L49-Y53 WeakPolarHBondContact O-CB 3.24Å; L49-Y53 PolarHBondContact O-N 3.4Å; L49-V82 HydrophobicContact CB-CG1 4.2Å; L49-V82 HydrophobicContact CB-CG2 4.26Å; L49-V82 HydrophobicContact CD1-CG1 4.27Å; L49-V82 HydrophobicContact CD1-CG2 4.49Å
50V94.9Very high92.3Very high66 Ų6647.2 Ų47.240%0.423%0.228SC..Hα-helixtrans-62.6-47.8174169.90000110.7F46 S47 W52 Y53 L54F46-V50 WeakPolarHBondContact O-CG2 3.43Å; F46-V50 PolarHBondContact O-N 3.26Å; S47-V50 PolarHBondContact O-N 3.23Å; V50-W52 PolarHBondContact O-N 3.05Å; V50-Y53 PolarHBondContact O-N 2.9Å; V50-L54 HydrophobicContact CG1-CD1 3.87Å; V50-L54 HydrophobicContact CG1-CG 4.35Å; V50-L54 WeakPolarHBondContact O-CB 3.3Å; V50-L54 VanDerWaalsContact O-CG 3.24Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 3.5Å
51L96.2Very high92.6Very high44 Ų4445.9 Ų45.923%0.2322%0.22CC..Hα-helixtrans-60.4-46.2177.8-70.5174.1000112.1G29 V32 A33 S47 Y48 Y55G29-L51 VanDerWaalsContact O-CD2 3.26Å; G29-L51 WeakPolarHBondContact O-CD2 3.5Å; V32-L51 HydrophobicContact CB-CD2 3.94Å; V32-L51 HydrophobicContact CB-CG 4.42Å; V32-L51 HydrophobicContact CG1-CD1 4.25Å; V32-L51 HydrophobicContact CG1-CD2 3.91Å; V32-L51 HydrophobicContact CG1-CG 3.83Å; A33-L51 HydrophobicContact CB-CD1 4.26Å; A33-L51 HydrophobicContact CB-CD2 4.01Å; S47-L51 WeakPolarHBondContact O-CG 3.4Å; S47-L51 PolarHBondContact O-N 2.66Å; Y48-L51 HydrophobicContact CD1-CD1 4.19Å; Y48-L51 PolarHBondContact O-N 2.83Å; L51-Y55 WeakPolarHBondContact O-CB 3.33Å; L51-Y55 PolarHBondContact O-N 3.3Å
52W96.7Very high92.8Very high25 Ų2542.5 Ų42.510%0.09521%0.207CC..Hα-helixtrans-62.9-47.8178.7176.982.6000111.8Y48 L49 V50 Y55 L56 L75 F79 V82 Y330 I332Y48-W52 VanDerWaalsContact O-CB 3.24Å; Y48-W52 WeakPolarHBondContact O-CB 3.16Å; Y48-W52 PolarHBondContact O-N 2.92Å; L49-W52 HydrophobicContact CD1-CE3 4.12Å; V50-W52 PolarHBondContact O-N 3.05Å; W52-Y55 PolarHBondContact O-N 3.15Å; W52-L56 HydrophobicContact CH2-CD2 3.72Å; W52-L56 HydrophobicContact CZ2-CD2 4.12Å; W52-L56 HydrophobicContact CZ3-CD2 4.01Å; W52-L56 WeakPolarHBondContact O-CB 3.49Å; W52-L56 PolarHBondContact O-N 3.29Å; W52-L75 PolarHBondContact NE1-O 3.37Å; W52-F79 HydrophobicContact CD2-CD2 4.29Å; W52-F79 AromaticContact CE2-CD2 3.84Å; W52-F79 HydrophobicContact CH2-CD2 4.16Å; W52-F79 HydrophobicContact CH2-CE2 4.5Å; W52-F79 AromaticContact CZ2-CD2 3.75Å; W52-F79 HydrophobicContact CZ2-CD2 3.75Å; W52-F79 HydrophobicContact CZ2-CE2 4.47Å; W52-F79 HydrophobicContact CZ2-CG 4.46Å; W52-V82 HydrophobicContact CB-CG2 4.38Å; W52-Y330 HydrophobicContact CH2-CD1 4.42Å; W52-Y330 VanDerWaalsContact CZ2-O 3.27Å; W52-Y330 WeakPolarHBondContact CZ2-O 3.46Å; W52-I332 HydrophobicContact CZ2-CD1 3.97Å
53Y94.8Very high92.8Very high78 Ų7841.7 Ų41.731%0.30621%0.212SC..Hα-helixtrans-64.8-42179.4174.9-97.5000112.4P5 L49 V50 L56 S57P5-Y53 WeakPolarHBondContact CB-OH 3.43Å; P5-Y53 HydrophobicContact CG-CE2 4.29Å; P5-Y53 WeakPolarHBondContact O-CE2 3.49Å; P5-Y53 VanDerWaalsContact O-CZ 3.29Å; P5-Y53 PolarHBondContact O-OH 3.45Å; L49-Y53 WeakPolarHBondContact O-CB 3.24Å; L49-Y53 PolarHBondContact O-N 3.4Å; V50-Y53 PolarHBondContact O-N 2.9Å; Y53-L56 PolarHBondContact O-N 3.05Å; Y53-S57 PolarHBondContact O-N 3.41Å
54L94.3Very high92.9Very high21 Ų2141 Ų4111%0.1122%0.216CC..Hα-helixtrans-56.7-53.8173.9-76.3173.1000109.3I7 V28 V50 L56 S57 F58I7-L54 HydrophobicContact CD1-CD2 4.5Å; V28-L54 HydrophobicContact CB-CD1 4.47Å; V28-L54 HydrophobicContact CG1-CD1 4.04Å; V50-L54 HydrophobicContact CG1-CD1 3.87Å; V50-L54 HydrophobicContact CG1-CG 4.35Å; V50-L54 WeakPolarHBondContact O-CB 3.3Å; V50-L54 VanDerWaalsContact O-CG 3.24Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 3.5Å; L54-L56 PolarHBondContact O-N 2.77Å; L54-S57 WeakPolarHBondContact O-CA 3.07Å; L54-S57 VanDerWaalsContact O-CB 3.28Å; L54-S57 WeakPolarHBondContact O-CB 3.15Å; L54-S57 PolarHBondContact O-N 3.01Å; L54-S57 VanDerWaalsContact O-N 3.08Å; L54-F58 WeakPolarHBondContact O-CD2 3.49Å; L54-F58 PolarHBondContact O-N 3.47Å; L54-F58 VanDerWaalsContact O-N 3.08Å
55Y95.3Very high93Very high47 Ų4743.8 Ų43.818%0.18423%0.227CC..Hα-helixtrans-63.2-38.7-178.4-163.5-97.7000113.3L51 W52 S57 F58 V59 D71 L74 L75L51-Y55 WeakPolarHBondContact O-CB 3.33Å; L51-Y55 PolarHBondContact O-N 3.3Å; W52-Y55 PolarHBondContact O-N 3.15Å; Y55-S57 PolarHBondContact O-N 3.15Å; Y55-F58 WeakPolarHBondContact O-CA 3.37Å; Y55-F58 WeakPolarHBondContact O-CB 3.47Å; Y55-F58 PolarHBondContact O-N 2.92Å; Y55-V59 HydrophobicContact CD1-CG2 4.18Å; Y55-V59 HydrophobicContact CE1-CG2 3.89Å; Y55-V59 PolarHBondContact O-N 3.42Å; Y55-D71 HydrophobicContact CE1-CB 4.24Å; Y55-D71 PolarHBondContact OH-OD1 3Å; Y55-L74 HydrophobicContact CD1-CD2 4.32Å; Y55-L74 HydrophobicContact CD2-CD2 4.43Å; Y55-L74 HydrophobicContact CE1-CB 4.31Å; Y55-L74 HydrophobicContact CE1-CD2 3.84Å; Y55-L74 HydrophobicContact CE1-CG 4.26Å; Y55-L74 HydrophobicContact CE2-CD2 3.96Å; Y55-L75 HydrophobicContact CD1-CD1 4.43Å; Y55-L75 HydrophobicContact CD1-CD2 3.66Å; Y55-L75 HydrophobicContact CD1-CG 3.76Å; Y55-L75 HydrophobicContact CE1-CG 4.18Å; Y55-L75 HydrophobicContact CG-CD2 4.49Å
56L94.5Very high93Very high7 Ų743.6 Ų43.64%0.03723%0.225CC..Hα-helixtrans-57.1-43.7173.2175.463.2000110.3W52 Y53 L54 F58 V59 Q60 L75 Y330W52-L56 HydrophobicContact CH2-CD2 3.72Å; W52-L56 HydrophobicContact CZ2-CD2 4.12Å; W52-L56 HydrophobicContact CZ3-CD2 4.01Å; W52-L56 WeakPolarHBondContact O-CB 3.49Å; W52-L56 PolarHBondContact O-N 3.29Å; Y53-L56 PolarHBondContact O-N 3.05Å; L54-L56 PolarHBondContact O-N 2.77Å; L56-F58 VanDerWaalsContact C-N 3.31Å; L56-F58 PolarHBondContact O-N 2.66Å; L56-V59 PolarHBondContact O-N 3.23Å; L56-Q60 HydrophobicContact CD1-CG 4.46Å; L56-Q60 WeakPolarHBondContact O-CG 3.41Å; L56-Q60 PolarHBondContact O-N 3.05Å; L56-L75 HydrophobicContact CB-CD2 3.85Å; L56-L75 HydrophobicContact CD1-CD1 4.04Å; L56-L75 HydrophobicContact CD1-CD2 4.48Å; L56-Y330 HydrophobicContact CD2-CD1 4.23Å
57S92.9Very high92.6Very high2 Ų246.9 Ų46.91%0.01424%0.237CC..Hα-helixtrans-63.5-34.7175-179.20000113.1T6 I7 Y53 L54 Y55 V61T6-S57 WeakPolarHBondContact CA-OG 3.47Å; T6-S57 WeakPolarHBondContact CB-OG 3.37Å; I7-S57 WeakPolarHBondContact CB-OG 3.47Å; I7-S57 VanDerWaalsContact CG2-OG 3.3Å; I7-S57 WeakPolarHBondContact CG2-OG 3.37Å; I7-S57 PolarHBondContact N-OG 3.14Å; Y53-S57 PolarHBondContact O-N 3.41Å; L54-S57 WeakPolarHBondContact O-CA 3.07Å; L54-S57 VanDerWaalsContact O-CB 3.28Å; L54-S57 WeakPolarHBondContact O-CB 3.15Å; L54-S57 PolarHBondContact O-N 3.01Å; L54-S57 VanDerWaalsContact O-N 3.08Å; Y55-S57 PolarHBondContact O-N 3.15Å; S57-V61 VanDerWaalsContact O-CG2 3.25Å; S57-V61 WeakPolarHBondContact O-CG2 3.37Å; S57-V61 PolarHBondContact O-N 3.49Å
58F92.2Very high92.5Very high14 Ų1446.6 Ų46.66%0.06123%0.233CC..Hα-helixtrans-64.4-46.7174.2-79.2-90.2000110.3I7 M22 L26 L54 Y55 L56 Q60 V61 G62 L66I7-F58 HydrophobicContact CD1-CE2 4.46Å; I7-F58 HydrophobicContact CD1-CZ 4.42Å; M22-F58 HydrophobicContact CB-CE1 3.86Å; M22-F58 HydrophobicContact CB-CZ 4.45Å; M22-F58 HydrophobicContact CE-CD1 3.56Å; M22-F58 HydrophobicContact CE-CE1 3.92Å; M22-F58 HydrophobicContact CG-CE1 4.22Å; M22-F58 WeakPolarHBondContact O-CE1 3.28Å; M22-F58 WeakPolarHBondContact O-CZ 3.39Å; L26-F58 HydrophobicContact CB-CZ 4.38Å; L26-F58 HydrophobicContact CD1-CE1 4.18Å; L26-F58 HydrophobicContact CD2-CD1 4.21Å; L26-F58 HydrophobicContact CD2-CE1 3.59Å; L26-F58 HydrophobicContact CD2-CE2 4.24Å; L26-F58 HydrophobicContact CD2-CZ 3.64Å; L26-F58 HydrophobicContact CG-CE1 3.52Å; L26-F58 HydrophobicContact CG-CZ 3.53Å; L54-F58 WeakPolarHBondContact O-CD2 3.49Å; L54-F58 PolarHBondContact O-N 3.47Å; L54-F58 VanDerWaalsContact O-N 3.08Å; Y55-F58 WeakPolarHBondContact O-CA 3.37Å; Y55-F58 WeakPolarHBondContact O-CB 3.47Å; Y55-F58 PolarHBondContact O-N 2.92Å; L56-F58 VanDerWaalsContact C-N 3.31Å; L56-F58 PolarHBondContact O-N 2.66Å; F58-Q60 VanDerWaalsContact C-N 3.31Å; F58-Q60 PolarHBondContact O-N 2.86Å; F58-V61 PolarHBondContact O-N 3.12Å; F58-V61 VanDerWaalsContact O-N 3.15Å; F58-G62 WeakPolarHBondContact O-CA 3.22Å; F58-G62 PolarHBondContact O-N 3.29Å; F58-L66 HydrophobicContact CB-CD1 3.91Å; F58-L66 WeakPolarHBondContact O-CD1 3.43Å
59V92.3Very high92.3Very high9 Ų944.8 Ų44.86%0.05523%0.227CC..Hα-helixtrans-59-43179.61720000111.7Y55 L56 V61 L66 D71 L75 H331Y55-V59 HydrophobicContact CD1-CG2 4.18Å; Y55-V59 HydrophobicContact CE1-CG2 3.89Å; Y55-V59 PolarHBondContact O-N 3.42Å; L56-V59 PolarHBondContact O-N 3.23Å; V59-V61 VanDerWaalsContact C-N 3.31Å; V59-V61 PolarHBondContact O-N 3.01Å; V59-L66 HydrophobicContact CG2-CB 4.38Å; V59-L66 HydrophobicContact CG2-CD2 4.38Å; V59-D71 HydrophobicContact CG2-CB 4.26Å; V59-L75 HydrophobicContact CB-CD1 4.09Å; V59-L75 HydrophobicContact CG1-CD1 4.29Å; V59-L75 HydrophobicContact CG2-CD1 3.83Å; V59-H331 WeakPolarHBondContact CG1-NE2 3.35Å
60Q89.6Confident92.2Very high80 Ų8041.3 Ų41.337%0.37421%0.209SC..Hα-helixtrans-64-32.7177.4-69.5-63.9-21.600113.7L4 T6 L56 F58 K329L4-Q60 HydrophobicContact CD1-CG 4.15Å; T6-Q60 HydrophobicContact CG2-CB 3.78Å; T6-Q60 HydrophobicContact CG2-CG 4.44Å; L56-Q60 HydrophobicContact CD1-CG 4.46Å; L56-Q60 WeakPolarHBondContact O-CG 3.41Å; L56-Q60 PolarHBondContact O-N 3.05Å; F58-Q60 VanDerWaalsContact C-N 3.31Å; F58-Q60 PolarHBondContact O-N 2.86Å; Q60-K329 PolarHBondContact NE2-O 3.34Å
61V88.5Confident92.2Very high45 Ų4538.1 Ų38.127%0.27319%0.19SC..Hα-helixtrans-92.7-30.3-177.71780000112.4T6 I7 L8 M22 S57 F58 V59 G63T6-V61 HydrophobicContact CG2-CG2 4.28Å; I7-V61 HydrophobicContact CG2-CG2 4.43Å; L8-V61 HydrophobicContact CD1-CG1 4.15Å; L8-V61 HydrophobicContact CD1-CG2 3.72Å; L8-V61 HydrophobicContact CD2-CG1 4.19Å; L8-V61 HydrophobicContact CD2-CG2 4.35Å; L8-V61 HydrophobicContact CG-CG1 4.31Å; L8-V61 HydrophobicContact CG-CG2 3.69Å; M22-V61 HydrophobicContact CE-CG1 4.23Å; M22-V61 HydrophobicContact SD-CB 4.48Å; M22-V61 HydrophobicContact SD-CG1 3.65Å; S57-V61 VanDerWaalsContact O-CG2 3.25Å; S57-V61 WeakPolarHBondContact O-CG2 3.37Å; S57-V61 PolarHBondContact O-N 3.49Å; F58-V61 PolarHBondContact O-N 3.12Å; F58-V61 VanDerWaalsContact O-N 3.15Å; V59-V61 VanDerWaalsContact C-N 3.31Å; V59-V61 PolarHBondContact O-N 3.01Å; V61-G63 VanDerWaalsContact C-N 3.33Å; V61-G63 PolarHBondContact O-N 3.49Å
62G88.8Confident92.1Very high18 Ų1836.6 Ų36.619%0.18618%0.182CC..Hα-helixtrans-76.1-16.7-17200000115.2F58 D64 F65F58-G62 WeakPolarHBondContact O-CA 3.22Å; F58-G62 PolarHBondContact O-N 3.29Å; G62-D64 PolarHBondContact O-N 3.2Å; G62-F65 PolarHBondContact O-N 2.93Å
63G88.3Confident92.1Very high39 Ų3935.4 Ų35.440%0.40218%0.178SC..G310 helixtrans52.4-131177.600000112.3V61 F65 L66 Y67V61-G63 VanDerWaalsContact C-N 3.33Å; V61-G63 PolarHBondContact O-N 3.49Å; G63-F65 PolarHBondContact O-N 3.34Å; G63-L66 PolarHBondContact O-N 3.4Å; G63-Y67 PolarHBondContact O-N 3.41Å
64D90.4Very high92.1Very high86 Ų8634.3 Ų34.346%0.4618%0.177SC..G310 helixtrans-48.9-33.2-178-58.5-38.4000113.3G62 L66 Q392 W407G62-D64 PolarHBondContact O-N 3.2Å; D64-L66 PolarHBondContact O-N 3.42Å; D64-Q392 PolarHBondContact O-NE2 3.11Å; D64-W407 VanDerWaalsContact OD2-CD1 3.26Å
65F93.2Very high92.3Very high68 Ų6833.3 Ų33.330%0.29817%0.172SC..G310 helixtrans-82.6-9.6-176.4-65.4-79.8000114.7G62 G63 F68 R388 L389 Q392 W407G62-F65 PolarHBondContact O-N 2.93Å; G63-F65 PolarHBondContact O-N 3.34Å; F65-F68 VanDerWaalsContact O-CE2 3.23Å; F65-F68 WeakPolarHBondContact O-CE2 3.45Å; F65-R388 HydrophobicContact CD1-CB 4.24Å; F65-R388 VanDerWaalsContact O-CD 3.23Å; F65-R388 WeakPolarHBondContact O-CD 3.42Å; F65-R388 PolarHBondContact O-NH1 3.2Å; F65-L389 HydrophobicContact CE1-CD1 4.12Å; F65-Q392 HydrophobicContact CD1-CB 4.42Å; F65-Q392 HydrophobicContact CD1-CG 3.64Å; F65-Q392 HydrophobicContact CE1-CB 4.05Å; F65-Q392 HydrophobicContact CE1-CG 3.71Å; F65-Q392 HydrophobicContact CG-CG 4.44Å; F65-W407 HydrophobicContact CE2-CB 4.22Å; F65-W407 HydrophobicContact CZ-CB 4.39Å; F65-W407 HydrophobicContact CZ-CD2 4.22Å; F65-W407 AromaticContact CZ-CE3 4Å; F65-W407 HydrophobicContact CZ-CE3 4Å; F65-W407 HydrophobicContact CZ-CG 4.41Å
66L90.9Very high92.4Very high17 Ų1731.2 Ų31.29%0.08916%0.164CC..G310 helixtrans-128.816-178.3-89.5159.3000113.6F58 V59 G63 D64 D71 R388F58-L66 HydrophobicContact CB-CD1 3.91Å; F58-L66 WeakPolarHBondContact O-CD1 3.43Å; V59-L66 HydrophobicContact CG2-CB 4.38Å; V59-L66 HydrophobicContact CG2-CD2 4.38Å; G63-L66 PolarHBondContact O-N 3.4Å; D64-L66 PolarHBondContact O-N 3.42Å; L66-D71 WeakPolarHBondContact O-CB 3.28Å; L66-R388 VanDerWaalsContact CD2-NH2 3.32Å
67Y84.8Confident92.6Very high161 Ų16131.2 Ų31.263%0.63117%0.165SC*.  trans-97.625.3-179.6-164.3-105.1000113.5G63G63-Y67 PolarHBondContact O-N 3.41Å
68F92.5Very high92.8Very high8 Ų832 Ų324%0.03517%0.173CC..SBendtrans-84.6157.1-177.3-57.5-76.2000112.6F65 W70 D71 T72 R388 W391 Q392 F395F65-F68 VanDerWaalsContact O-CE2 3.23Å; F65-F68 WeakPolarHBondContact O-CE2 3.45Å; F68-W70 HydrophobicContact CB-CD2 3.85Å; F68-W70 HydrophobicContact CB-CE3 4.41Å; F68-W70 HydrophobicContact CB-CG 4.37Å; F68-W70 HydrophobicContact CB-CH2 3.79Å; F68-W70 HydrophobicContact CB-CZ2 3.14Å; F68-W70 HydrophobicContact CB-CZ3 4.4Å; F68-W70 AromaticContact CD1-CH2 3.78Å; F68-W70 HydrophobicContact CD1-CH2 3.78Å; F68-W70 AromaticContact CD1-CZ2 3.49Å; F68-W70 HydrophobicContact CD1-CZ2 3.49Å; F68-W70 VanDerWaalsContact CD1-CZ2 3.49Å; F68-W70 AromaticContact CD2-CE2 3.98Å; F68-W70 AromaticContact CD2-CZ2 3.59Å; F68-W70 HydrophobicContact CD2-CZ2 3.59Å; F68-W70 AromaticContact CD2-NE1 3.86Å; F68-W70 HydrophobicContact CE1-CH2 4.49Å; F68-W70 HydrophobicContact CE1-CZ2 4.19Å; F68-W70 HydrophobicContact CE2-CZ2 4.27Å; F68-W70 AromaticContact CG-CE2 3.66Å; F68-W70 AromaticContact CG-CH2 3.86Å; F68-W70 HydrophobicContact CG-CH2 3.86Å; F68-W70 AromaticContact CG-CZ2 3.13Å; F68-W70 HydrophobicContact CG-CZ2 3.13Å; F68-W70 AromaticContact CG-NE1 3.92Å; F68-W70 PolarHBondContact O-N 3.15Å; F68-W70 VanDerWaalsContact O-N 3.14Å; F68-D71 WeakPolarHBondContact CB-OD2 3.38Å; F68-D71 VanDerWaalsContact CD2-OD2 3.31Å; F68-D71 WeakPolarHBondContact CD2-OD2 3.45Å; F68-D71 PolarHBondContact N-OD2 3.25Å; F68-D71 WeakPolarHBondContact O-CB 3.18Å; F68-D71 PolarHBondContact O-N 3.07Å; F68-T72 PolarHBondContact O-N 2.96Å; F68-R388 HydrophobicContact CE2-CB 4.4Å; F68-R388 HydrophobicContact CE2-CG 4.28Å; F68-W391 HydrophobicContact CE1-CB 3.96Å; F68-W391 HydrophobicContact CZ-CB 3.81Å; F68-Q392 HydrophobicContact CZ-CG 4.01Å; F68-F395 AromaticContact CD1-CE2 3.82Å; F68-F395 HydrophobicContact CD1-CE2 3.82Å; F68-F395 AromaticContact CE1-CD2 3.94Å; F68-F395 HydrophobicContact CE1-CD2 3.94Å; F68-F395 AromaticContact CE1-CE2 3.56Å; F68-F395 HydrophobicContact CE1-CE2 3.56Å
69Q91.1Very high93Very high31 Ų3133.2 Ų33.215%0.14518%0.179CC..Hα-helixtrans-60.2-28.8-176.7-159.7-176.3-70.900113.6T72 L73 Y336 L338Q69-T72 WeakPolarHBondContact CA-OG1 3.36Å; Q69-T72 PolarHBondContact O-OG1 3.41Å; Q69-L73 VanDerWaalsContact O-CB 3.22Å; Q69-L73 WeakPolarHBondContact O-CB 3.25Å; Q69-L73 PolarHBondContact O-N 2.91Å; Q69-Y336 HydrophobicContact CG-CD1 3.58Å; Q69-Y336 HydrophobicContact CG-CE1 4.16Å; Q69-L338 HydrophobicContact CB-CD1 3.83Å; Q69-L338 HydrophobicContact CB-CG 4.06Å; Q69-L338 HydrophobicContact CG-CD1 4.3Å; Q69-L338 HydrophobicContact CG-CG 4.47Å; Q69-L338 VanDerWaalsContact OE1-N 3.17Å
70W93.1Very high93.3Very high1 Ų133 Ų330%0.00418%0.177CC..Hα-helixtrans-75.5-29173.950.575000113F68 L74 N209 F210 F211 W391F68-W70 HydrophobicContact CB-CD2 3.85Å; F68-W70 HydrophobicContact CB-CE3 4.41Å; F68-W70 HydrophobicContact CB-CG 4.37Å; F68-W70 HydrophobicContact CB-CH2 3.79Å; F68-W70 HydrophobicContact CB-CZ2 3.14Å; F68-W70 HydrophobicContact CB-CZ3 4.4Å; F68-W70 AromaticContact CD1-CH2 3.78Å; F68-W70 HydrophobicContact CD1-CH2 3.78Å; F68-W70 AromaticContact CD1-CZ2 3.49Å; F68-W70 HydrophobicContact CD1-CZ2 3.49Å; F68-W70 VanDerWaalsContact CD1-CZ2 3.49Å; F68-W70 AromaticContact CD2-CE2 3.98Å; F68-W70 AromaticContact CD2-CZ2 3.59Å; F68-W70 HydrophobicContact CD2-CZ2 3.59Å; F68-W70 AromaticContact CD2-NE1 3.86Å; F68-W70 HydrophobicContact CE1-CH2 4.49Å; F68-W70 HydrophobicContact CE1-CZ2 4.19Å; F68-W70 HydrophobicContact CE2-CZ2 4.27Å; F68-W70 AromaticContact CG-CE2 3.66Å; F68-W70 AromaticContact CG-CH2 3.86Å; F68-W70 HydrophobicContact CG-CH2 3.86Å; F68-W70 AromaticContact CG-CZ2 3.13Å; F68-W70 HydrophobicContact CG-CZ2 3.13Å; F68-W70 AromaticContact CG-NE1 3.92Å; F68-W70 PolarHBondContact O-N 3.15Å; F68-W70 VanDerWaalsContact O-N 3.14Å; W70-L74 VanDerWaalsContact O-CB 3.26Å; W70-L74 WeakPolarHBondContact O-CB 3.42Å; W70-L74 PolarHBondContact O-N 2.85Å; W70-N209 VanDerWaalsContact CD1-ND2 3.27Å; W70-N209 PolarHBondContact NE1-ND2 2.69Å; W70-F210 HydrophobicContact CB-CD2 4.37Å; W70-F210 HydrophobicContact CB-CE2 3.85Å; W70-F210 HydrophobicContact CB-CZ 4.47Å; W70-F210 AromaticContact CD1-CZ 3.77Å; W70-F210 HydrophobicContact CG-CE2 4.26Å; W70-F210 HydrophobicContact CG-CZ 4.44Å; W70-F210 WeakPolarHBondContact O-CE2 3.28Å; W70-F211 HydrophobicContact CB-CB 4.04Å; W70-F211 HydrophobicContact CB-CD2 4.11Å; W70-F211 HydrophobicContact CE3-CB 4.48Å; W70-W391 AromaticContact CH2-CD2 3.64Å; W70-W391 HydrophobicContact CH2-CD2 3.64Å; W70-W391 AromaticContact CH2-CE2 3.8Å; W70-W391 AromaticContact CH2-CE3 3.49Å; W70-W391 HydrophobicContact CH2-CE3 3.49Å; W70-W391 VanDerWaalsContact CH2-CE3 3.49Å; W70-W391 HydrophobicContact CH2-CG 4.42Å; W70-W391 AromaticContact CH2-CH2 3.62Å; W70-W391 HydrophobicContact CH2-CH2 3.62Å; W70-W391 AromaticContact CH2-CZ2 3.8Å; W70-W391 HydrophobicContact CH2-CZ2 3.8Å; W70-W391 AromaticContact CH2-CZ3 3.47Å; W70-W391 HydrophobicContact CH2-CZ3 3.47Å; W70-W391 VanDerWaalsContact CH2-CZ3 3.47Å; W70-W391 HydrophobicContact CZ2-CD2 4.22Å; W70-W391 HydrophobicContact CZ2-CE3 4.39Å; W70-W391 HydrophobicContact CZ3-CE3 4.28Å; W70-W391 AromaticContact CZ3-CH2 3.62Å; W70-W391 HydrophobicContact CZ3-CH2 3.62Å; W70-W391 AromaticContact CZ3-CZ2 3.98Å; W70-W391 HydrophobicContact CZ3-CZ2 3.98Å; W70-W391 AromaticContact CZ3-CZ3 3.79Å; W70-W391 HydrophobicContact CZ3-CZ3 3.79Å
71D95.3Very high93.6Very high0 Ų030.3 Ų30.30%017%0.169CC..Hα-helixtrans-70.2-41.7176.7-57.6-50.1000109.2Y55 V59 L66 F68 L74 L75 R388Y55-D71 HydrophobicContact CE1-CB 4.24Å; Y55-D71 PolarHBondContact OH-OD1 3Å; V59-D71 HydrophobicContact CG2-CB 4.26Å; L66-D71 WeakPolarHBondContact O-CB 3.28Å; F68-D71 WeakPolarHBondContact CB-OD2 3.38Å; F68-D71 VanDerWaalsContact CD2-OD2 3.31Å; F68-D71 WeakPolarHBondContact CD2-OD2 3.45Å; F68-D71 PolarHBondContact N-OD2 3.25Å; F68-D71 WeakPolarHBondContact O-CB 3.18Å; F68-D71 PolarHBondContact O-N 3.07Å; D71-L74 PolarHBondContact O-N 3.49Å; D71-L75 PolarHBondContact O-N 3.46Å; D71-L75 VanDerWaalsContact O-N 3.11Å; D71-R388 IonicContact OD1-CZ 3.31Å; D71-R388 IonicContact OD1-NH1 3.28Å; D71-R388 PolarHBondContact OD1-NH1 3.38Å; D71-R388 IonicContact OD1-NH2 2.87Å; D71-R388 PolarHBondContact OD1-NH2 3.2Å; D71-R388 IonicContact OD2-CZ 2.83Å; D71-R388 IonicContact OD2-NH1 2.66Å; D71-R388 PolarHBondContact OD2-NH1 3.31Å; D71-R388 IonicContact OD2-NH2 3.65Å
72T93.7Very high93.9Very high12 Ų1228.7 Ų28.77%0.07416%0.158CC..Hα-helixtrans-68-41.6173.852.60000112.8F68 Q69 L74 L75 E76F68-T72 PolarHBondContact O-N 2.96Å; Q69-T72 WeakPolarHBondContact CA-OG1 3.36Å; Q69-T72 PolarHBondContact O-OG1 3.41Å; T72-L74 VanDerWaalsContact C-N 3.3Å; T72-L74 PolarHBondContact O-N 3.25Å; T72-L75 PolarHBondContact O-N 3.09Å; T72-E76 PolarHBondContact O-N 3.2Å
73L96.8Very high94.2Very high0 Ų028.4 Ų28.40%015%0.153CC..Hα-helixtrans-61.3-38.3173.6-178.664.5000112Q69 E76 A77 L111 L115 F211 L214 I218 Y336Q69-L73 VanDerWaalsContact O-CB 3.22Å; Q69-L73 WeakPolarHBondContact O-CB 3.25Å; Q69-L73 PolarHBondContact O-N 2.91Å; L73-E76 PolarHBondContact O-N 2.94Å; L73-A77 VanDerWaalsContact O-CB 3.28Å; L73-A77 WeakPolarHBondContact O-CB 3.38Å; L73-A77 PolarHBondContact O-N 2.81Å; L73-L111 HydrophobicContact CD1-CD1 3.88Å; L73-L111 HydrophobicContact CD1-CD2 4.22Å; L73-L111 HydrophobicContact CD1-CG 4.24Å; L73-L115 HydrophobicContact CD1-CD2 3.97Å; L73-L115 HydrophobicContact CD2-CD1 4.43Å; L73-L115 HydrophobicContact CD2-CD2 3.62Å; L73-L115 HydrophobicContact CG-CD2 4.48Å; L73-F211 HydrophobicContact CD2-CD2 3.92Å; L73-F211 HydrophobicContact CD2-CE2 3.74Å; L73-L214 HydrophobicContact CB-CD2 4.21Å; L73-L214 HydrophobicContact CD2-CD2 3.89Å; L73-L214 HydrophobicContact CD2-CG 4.18Å; L73-L214 HydrophobicContact CG-CD2 3.75Å; L73-L214 HydrophobicContact CG-CG 4.3Å; L73-I218 HydrophobicContact CD1-CD1 3.77Å; L73-I218 HydrophobicContact CD2-CD1 4.17Å; L73-I218 HydrophobicContact CG-CD1 3.98Å; L73-Y336 HydrophobicContact CB-CE1 4.22Å; L73-Y336 HydrophobicContact CD1-CE1 4.19Å; L73-Y336 HydrophobicContact CD1-CE2 4.35Å; L73-Y336 VanDerWaalsContact CD1-OH 3.28Å; L73-Y336 WeakPolarHBondContact CD1-OH 3.37Å
74L96.8Very high94.4Very high54 Ų5429.1 Ų29.128%0.28315%0.147SC..Hα-helixtrans-66.8-38.1177-178.960000111.8Y55 W70 D71 T72 G78 F210 L214Y55-L74 HydrophobicContact CD1-CD2 4.32Å; Y55-L74 HydrophobicContact CD2-CD2 4.43Å; Y55-L74 HydrophobicContact CE1-CB 4.31Å; Y55-L74 HydrophobicContact CE1-CD2 3.84Å; Y55-L74 HydrophobicContact CE1-CG 4.26Å; Y55-L74 HydrophobicContact CE2-CD2 3.96Å; W70-L74 VanDerWaalsContact O-CB 3.26Å; W70-L74 WeakPolarHBondContact O-CB 3.42Å; W70-L74 PolarHBondContact O-N 2.85Å; D71-L74 PolarHBondContact O-N 3.49Å; T72-L74 VanDerWaalsContact C-N 3.3Å; T72-L74 PolarHBondContact O-N 3.25Å; L74-G78 WeakPolarHBondContact O-CA 3.48Å; L74-G78 PolarHBondContact O-N 3.02Å; L74-F210 HydrophobicContact CB-CE2 4.04Å; L74-F210 HydrophobicContact CB-CZ 4.49Å; L74-F210 HydrophobicContact CD2-CE1 4.44Å; L74-F210 HydrophobicContact CD2-CE2 3.89Å; L74-F210 HydrophobicContact CD2-CZ 3.75Å; L74-F210 HydrophobicContact CG-CE2 4.48Å; L74-L214 HydrophobicContact CB-CD2 3.97Å; L74-L214 HydrophobicContact CD1-CD1 4.36Å; L74-L214 HydrophobicContact CD1-CD2 4.25Å
75L97.1Very high94.5Very high1 Ų125.4 Ų25.41%0.00513%0.128CC..Hα-helixtrans-65.3-44.4173.8-77.2173.4000112.2W52 Y55 L56 V59 D71 T72 G78 F79 H331W52-L75 PolarHBondContact NE1-O 3.37Å; Y55-L75 HydrophobicContact CD1-CD1 4.43Å; Y55-L75 HydrophobicContact CD1-CD2 3.66Å; Y55-L75 HydrophobicContact CD1-CG 3.76Å; Y55-L75 HydrophobicContact CE1-CG 4.18Å; Y55-L75 HydrophobicContact CG-CD2 4.49Å; L56-L75 HydrophobicContact CB-CD2 3.85Å; L56-L75 HydrophobicContact CD1-CD1 4.04Å; L56-L75 HydrophobicContact CD1-CD2 4.48Å; V59-L75 HydrophobicContact CB-CD1 4.09Å; V59-L75 HydrophobicContact CG1-CD1 4.29Å; V59-L75 HydrophobicContact CG2-CD1 3.83Å; D71-L75 PolarHBondContact O-N 3.46Å; D71-L75 VanDerWaalsContact O-N 3.11Å; T72-L75 PolarHBondContact O-N 3.09Å; L75-G78 PolarHBondContact O-N 2.65Å; L75-F79 WeakPolarHBondContact O-CB 3.45Å; L75-F79 PolarHBondContact O-N 2.74Å; L75-H331 HydrophobicContact CB-CB 3.72Å; L75-H331 HydrophobicContact CD1-CB 3.58Å; L75-H331 WeakPolarHBondContact CD1-CD2 3.43Å; L75-H331 HydrophobicContact CG-CB 4.27Å
76E97.4Very high94.1Very high2 Ų224.8 Ų24.81%0.00913%0.131CC..Hα-helixtrans-64-50.8178.4-177.3160.3170.400111.1T72 L73 G78 F79 L80 L111 R114 I332 A333 H334 Y336T72-E76 PolarHBondContact O-N 3.2Å; L73-E76 PolarHBondContact O-N 2.94Å; E76-G78 VanDerWaalsContact C-N 3.33Å; E76-G78 PolarHBondContact O-N 2.81Å; E76-F79 PolarHBondContact O-N 3.41Å; E76-L80 WeakPolarHBondContact O-CG 3.49Å; E76-L80 PolarHBondContact O-N 2.62Å; E76-L111 HydrophobicContact CG-CD1 3.95Å; E76-L111 HydrophobicContact CG-CD2 4.17Å; E76-L111 WeakPolarHBondContact OE1-CD1 3.43Å; E76-R114 IonicContact OE1-CZ 3.66Å; E76-R114 IonicContact OE1-NH1 3.94Å; E76-R114 PolarHBondContact OE1-NH1 3.34Å; E76-R114 IonicContact OE1-NH2 2.62Å; E76-R114 PolarHBondContact OE1-NH2 2.93Å; E76-I332 WeakPolarHBondContact CG-O 3.23Å; E76-A333 VanDerWaalsContact OE2-CA 3.32Å; E76-A333 WeakPolarHBondContact OE2-CA 3.43Å; E76-H334 PolarHBondContact OE2-N 3.35Å; E76-H334 IonicContact OE2-ND1 2.94Å; E76-Y336 VanDerWaalsContact CD-OH 3.3Å; E76-Y336 PolarHBondContact OE2-OH 3.04Å
77A98.1Very high93.7Very high7 Ų726.8 Ų26.86%0.05814%0.144CC..Hα-helixtrans-63.1-37.6175.700000112.7L73 L80 A81 F108 L111 L214 I218L73-A77 VanDerWaalsContact O-CB 3.28Å; L73-A77 WeakPolarHBondContact O-CB 3.38Å; L73-A77 PolarHBondContact O-N 2.81Å; A77-L80 PolarHBondContact O-N 2.78Å; A77-A81 PolarHBondContact O-N 3.35Å; A77-F108 HydrophobicContact CB-CE1 4.29Å; A77-F108 WeakPolarHBondContact O-CZ 3.49Å; A77-L111 HydrophobicContact CB-CD2 4.02Å; A77-L214 HydrophobicContact CB-CD1 4.18Å; A77-I218 HydrophobicContact CB-CD1 4.01Å; A77-I218 HydrophobicContact CB-CG1 4.24Å
78G97.4Very high93Very high19 Ų1921.8 Ų21.820%0.19612%0.124CC..Hα-helixtrans-63.7-41.7176.300000112L74 L75 E76 A81 V82L74-G78 WeakPolarHBondContact O-CA 3.48Å; L74-G78 PolarHBondContact O-N 3.02Å; L75-G78 PolarHBondContact O-N 2.65Å; E76-G78 VanDerWaalsContact C-N 3.33Å; E76-G78 PolarHBondContact O-N 2.81Å; G78-A81 WeakPolarHBondContact O-CB 2.71Å; G78-A81 PolarHBondContact O-N 3.43Å; G78-V82 WeakPolarHBondContact O-CG2 3.44Å; G78-V82 PolarHBondContact O-N 2.97Å; G78-V82 VanDerWaalsContact O-N 3.1Å
79F97.6Very high91.5Very high40 Ų4026.2 Ų26.218%0.17515%0.147CC..Hα-helixtrans-63.8-43.3174.2-171.6-101.3000111.8W52 L75 E76 A81 V82 L83 V297 I332W52-F79 HydrophobicContact CD2-CD2 4.29Å; W52-F79 AromaticContact CE2-CD2 3.84Å; W52-F79 HydrophobicContact CH2-CD2 4.16Å; W52-F79 HydrophobicContact CH2-CE2 4.5Å; W52-F79 AromaticContact CZ2-CD2 3.75Å; W52-F79 HydrophobicContact CZ2-CD2 3.75Å; W52-F79 HydrophobicContact CZ2-CE2 4.47Å; W52-F79 HydrophobicContact CZ2-CG 4.46Å; L75-F79 WeakPolarHBondContact O-CB 3.45Å; L75-F79 PolarHBondContact O-N 2.74Å; E76-F79 PolarHBondContact O-N 3.41Å; F79-A81 PolarHBondContact O-N 2.85Å; F79-V82 VanDerWaalsContact O-CB 3.3Å; F79-V82 WeakPolarHBondContact O-CB 3.39Å; F79-V82 PolarHBondContact O-N 3.02Å; F79-V82 VanDerWaalsContact O-N 3.1Å; F79-L83 HydrophobicContact CD1-CD1 4.46Å; F79-L83 HydrophobicContact CE1-CD1 4.05Å; F79-L83 HydrophobicContact CE1-CG 4.36Å; F79-L83 PolarHBondContact O-N 3.1Å; F79-V297 HydrophobicContact CD1-CG2 4.29Å; F79-V297 HydrophobicContact CE1-CG2 3.58Å; F79-I332 HydrophobicContact CB-CD1 4.35Å; F79-I332 HydrophobicContact CD1-CD1 3.74Å; F79-I332 HydrophobicContact CD1-CG2 4.35Å; F79-I332 HydrophobicContact CD2-CD1 3.62Å; F79-I332 HydrophobicContact CE1-CD1 3.87Å; F79-I332 HydrophobicContact CE1-CG2 4.39Å; F79-I332 HydrophobicContact CE2-CD1 3.75Å; F79-I332 HydrophobicContact CG-CD1 3.61Å; F79-I332 HydrophobicContact CZ-CD1 3.87Å
80L97.6Very high89.6Confident5 Ų532.2 Ų32.23%0.02618%0.179CC..Hα-helixtrans-61-35.4173.7-63.6-173.7000112.1E76 A77 V82 L83 L84 L107 F108 L111 V297E76-L80 WeakPolarHBondContact O-CG 3.49Å; E76-L80 PolarHBondContact O-N 2.62Å; A77-L80 PolarHBondContact O-N 2.78Å; L80-V82 VanDerWaalsContact C-N 3.32Å; L80-V82 PolarHBondContact O-N 2.76Å; L80-L83 PolarHBondContact O-N 3.35Å; L80-L84 WeakPolarHBondContact O-CB 3.45Å; L80-L84 PolarHBondContact O-N 2.58Å; L80-L107 HydrophobicContact CD1-CB 3.94Å; L80-L107 HydrophobicContact CD2-CB 3.7Å; L80-L107 HydrophobicContact CD2-CD1 3.65Å; L80-L107 HydrophobicContact CD2-CG 4.31Å; L80-L107 HydrophobicContact CG-CB 4.41Å; L80-F108 HydrophobicContact CB-CD2 4.06Å; L80-F108 HydrophobicContact CB-CE1 4Å; L80-F108 HydrophobicContact CB-CE2 3.51Å; L80-F108 HydrophobicContact CB-CZ 3.48Å; L80-F108 VanDerWaalsContact CB-CZ 3.48Å; L80-F108 HydrophobicContact CD1-CD1 4.28Å; L80-F108 HydrophobicContact CD1-CD2 4.42Å; L80-F108 HydrophobicContact CD1-CE1 4.47Å; L80-F108 HydrophobicContact CD1-CG 4.26Å; L80-L111 HydrophobicContact CD1-CB 4.13Å; L80-L111 HydrophobicContact CD1-CD2 3.87Å; L80-V297 HydrophobicContact CD2-CG1 3.87Å
81A96.1Very high87.8Confident23 Ų2341.9 Ų41.919%0.1922%0.215CC..Hα-helixtrans-64.6-35.7175.200000112.1Y48 A77 G78 F79 L83 L84 A85 F108Y48-A81 HydrophobicContact CD2-CB 3.98Å; Y48-A81 WeakPolarHBondContact CD2-O 3.44Å; Y48-A81 HydrophobicContact CE2-CB 4.41Å; A77-A81 PolarHBondContact O-N 3.35Å; G78-A81 WeakPolarHBondContact O-CB 2.71Å; G78-A81 PolarHBondContact O-N 3.43Å; F79-A81 PolarHBondContact O-N 2.85Å; A81-L83 VanDerWaalsContact C-N 3.31Å; A81-L83 PolarHBondContact O-N 3.24Å; A81-L84 PolarHBondContact O-N 3.49Å; A81-A85 VanDerWaalsContact O-CB 3.28Å; A81-A85 WeakPolarHBondContact O-CB 3.3Å; A81-A85 PolarHBondContact O-N 2.86Å; A81-F108 HydrophobicContact CB-CZ 4.24Å
82V95.7Very high86Confident10 Ų1052.9 Ų52.96%0.06126%0.257CS..Hα-helixtrans-57.6-45.3172.8177.70000110.9T45 L49 W52 G78 F79 L80T45-V82 HydrophobicContact CG2-CG1 3.59Å; T45-V82 WeakPolarHBondContact CG2-O 3.28Å; T45-V82 PolarHBondContact OG1-O 3.39Å; L49-V82 HydrophobicContact CB-CG1 4.2Å; L49-V82 HydrophobicContact CB-CG2 4.26Å; L49-V82 HydrophobicContact CD1-CG1 4.27Å; L49-V82 HydrophobicContact CD1-CG2 4.49Å; W52-V82 HydrophobicContact CB-CG2 4.38Å; G78-V82 WeakPolarHBondContact O-CG2 3.44Å; G78-V82 PolarHBondContact O-N 2.97Å; G78-V82 VanDerWaalsContact O-N 3.1Å; F79-V82 VanDerWaalsContact O-CB 3.3Å; F79-V82 WeakPolarHBondContact O-CB 3.39Å; F79-V82 PolarHBondContact O-N 3.02Å; F79-V82 VanDerWaalsContact O-N 3.1Å; L80-V82 VanDerWaalsContact C-N 3.32Å; L80-V82 PolarHBondContact O-N 2.76Å
83L94.5Very high84.2Confident12 Ų1255.6 Ų55.66%0.06328%0.275CS..Hα-helixtrans-69.9-36.5179.7-61.6-177.7000113.1F79 L80 A81 T104 L107 M293 V297F79-L83 HydrophobicContact CD1-CD1 4.46Å; F79-L83 HydrophobicContact CE1-CD1 4.05Å; F79-L83 HydrophobicContact CE1-CG 4.36Å; F79-L83 PolarHBondContact O-N 3.1Å; L80-L83 PolarHBondContact O-N 3.35Å; A81-L83 VanDerWaalsContact C-N 3.31Å; A81-L83 PolarHBondContact O-N 3.24Å; L83-T104 HydrophobicContact CB-CG2 3.97Å; L83-L107 HydrophobicContact CD1-CD1 4.25Å; L83-M293 HydrophobicContact CD2-CB 4.1Å; L83-M293 HydrophobicContact CD2-CE 3.75Å; L83-M293 HydrophobicContact CD2-SD 4.01Å; L83-V297 HydrophobicContact CD1-CG2 4.11Å
84L92.8Very high82.5Confident54 Ų5458.2 Ų58.228%0.28329%0.293SS..Hα-helixtrans-72.7-34.1178.5177.562.5000112.3L80 A81 T104 L105 F108L80-L84 WeakPolarHBondContact O-CB 3.45Å; L80-L84 PolarHBondContact O-N 2.58Å; A81-L84 PolarHBondContact O-N 3.49Å; L84-T104 VanDerWaalsContact CD1-OG1 3.26Å; L84-T104 WeakPolarHBondContact CD1-OG1 3.33Å; L84-L105 HydrophobicContact CD1-CD2 4.16Å; L84-L105 HydrophobicContact CD1-CG 3.91Å; L84-L105 HydrophobicContact CD2-CD2 3.87Å; L84-F108 HydrophobicContact CB-CE2 4.25Å; L84-F108 HydrophobicContact CD2-CD2 4.37Å; L84-F108 HydrophobicContact CD2-CE2 3.88Å
85A91.3Very high80.9Confident8 Ų862.3 Ų62.37%0.06632%0.321CS..SBendtrans-67.9148.8-175.800000112.3T45 Y48 A81 V87T45-A85 PolarHBondContact OG1-O 3.17Å; Y48-A85 HydrophobicContact CD2-CB 3.51Å; Y48-A85 HydrophobicContact CE2-CB 3.74Å; A81-A85 VanDerWaalsContact O-CB 3.28Å; A81-A85 WeakPolarHBondContact O-CB 3.3Å; A81-A85 PolarHBondContact O-N 2.86Å; A85-V87 PolarHBondContact O-N 3.29Å
86P86Confident79.9Confident55 Ų5566.6 Ų66.636%0.35734%0.339SS..  trans-68.9135.2179.227.3-34.7000111.6R43 N44 T45 R88R43-P86 WeakPolarHBondContact O-CD 3.41Å; R43-P86 WeakPolarHBondContact O-CG 3.27Å; N44-P86 WeakPolarHBondContact CA-O 3.3Å; N44-P86 WeakPolarHBondContact CB-O 2.87Å; T45-P86 PolarHBondContact N-O 3.09Å; T45-P86 PolarHBondContact OG1-O 2.92Å; P86-R88 VanDerWaalsContact C-N 3.26Å; P86-R88 HydrophobicContact CB-CG 4.47Å; P86-R88 PolarHBondContact O-N 3.13Å
87V81.7Confident79.1Confident59 Ų5972.1 Ų72.136%0.35836%0.36SS..  trans-78.374.6171-172.10000109.4T45 F46 A85T45-V87 HydrophobicContact CG2-CG2 4.48Å; T45-V87 WeakPolarHBondContact OG1-CG2 3.49Å; T45-V87 PolarHBondContact OG1-N 3.2Å; F46-V87 HydrophobicContact CE2-CG1 4.26Å; F46-V87 HydrophobicContact CZ-CG1 4.35Å; A85-V87 PolarHBondContact O-N 3.29Å
88R71.3Confident78.5Confident57 Ų5772.5 Ų72.522%0.21536%0.361CS..  trans-144.3127.1177.6-60.5-175.6-171.7-173.78.8110.8N44 P86 Y283N44-R88 WeakPolarHBondContact CB-O 3.28Å; P86-R88 VanDerWaalsContact C-N 3.26Å; P86-R88 HydrophobicContact CB-CG 4.47Å; P86-R88 PolarHBondContact O-N 3.13Å; R88-Y283 PolarHBondContact NH2-OH 3.28Å
89I59.4Low77.9Confident101 Ų10171.6 Ų71.652%0.51835%0.352SS..SBendtrans-95.7-41.1177.3-53.9176000111.3F46F46-I89 HydrophobicContact CD2-CD1 4.05Å; F46-I89 HydrophobicContact CD2-CG1 3.58Å; F46-I89 HydrophobicContact CE2-CD1 3.68Å; F46-I89 HydrophobicContact CE2-CG1 3.39Å; F46-I89 HydrophobicContact CZ-CD1 4.03Å; F46-I89 HydrophobicContact CZ-CG1 4.24Å
90L52.9Low77.5Confident157 Ų15770 Ų7082%0.82235%0.345SS*.SBendtrans-13816.2-162.4-82.4127.9000116.1
91R55Low77.1Confident203 Ų20371.1 Ų71.177%0.76635%0.351SS*.SBendtrans-112.7147.8176.8-76.4-172.7175.7169.50.3111.6
92R57.9Low76.8Confident231 Ų23170.2 Ų70.287%0.87234%0.343SS*.  trans-36.6125.3177.6-137.5179.8-169.9174.32.7109.6S94R92-S94 PolarHBondContact O-N 3.48Å; R92-S94 VanDerWaalsContact O-N 3.07Å
93P54.5Low76.8Confident69 Ų6969.8 Ų69.845%0.44834%0.34SS..  trans-50.9122.4176.1-23.931.2000108.5V40V40-P93 HydrophobicContact CB-CG 4.35Å; V40-P93 HydrophobicContact CG1-CB 3.67Å; V40-P93 HydrophobicContact CG1-CG 3.94Å
94S61.2Low76.7Confident56 Ų5669.3 Ų69.339%0.39234%0.338SS..  trans-103.2115.2168.3-174.20000105.6R92 K96R92-S94 PolarHBondContact O-N 3.48Å; R92-S94 VanDerWaalsContact O-N 3.07Å; S94-K96 PolarHBondContact O-N 2.98Å; S94-K96 WeakPolarHBondContact OG-CB 3.34Å; S94-K96 PolarHBondContact OG-N 3.06Å
95T64.3Low76.7Confident140 Ų14067.8 Ų67.886%0.85933%0.33SS*.  trans-75.111.916851.30000111.6W97T95-W97 PolarHBondContact O-N 3.17Å
96K75Confident76.9Confident90 Ų9067.4 Ų67.439%0.39133%0.327SS..PPolyproline II helixtrans-70.9119.4179.7-172.8-178.6179.6-175.50108.2S94 L98S94-K96 PolarHBondContact O-N 2.98Å; S94-K96 WeakPolarHBondContact OG-CB 3.34Å; S94-K96 PolarHBondContact OG-N 3.06Å; K96-L98 PolarHBondContact O-N 3.39Å
97W80.5Confident77.5Confident118 Ų11864.9 Ų64.945%0.44731%0.31SS..PPolyproline II helixtrans-53.5122.5168.5-151.2-75.1000110T95 N102 L105 V224T95-W97 PolarHBondContact O-N 3.17Å; W97-N102 PolarHBondContact NE1-OD1 3.42Å; W97-L105 HydrophobicContact CH2-CD1 4.02Å; W97-L105 HydrophobicContact CZ2-CD1 3.61Å; W97-V224 HydrophobicContact CH2-CB 4.45Å; W97-V224 HydrophobicContact CH2-CG1 3.31Å; W97-V224 HydrophobicContact CH2-CG2 4.32Å; W97-V224 HydrophobicContact CZ2-CG1 3.34Å
98L85.4Confident78.2Confident15 Ų1563.2 Ų63.28%0.07930%0.298CS..PPolyproline II helixtrans-92.6153.2176.6-59.7174.9000110.1K96 Q100 D101 F272 Y283K96-L98 PolarHBondContact O-N 3.39Å; L98-Q100 PolarHBondContact O-N 3.03Å; L98-D101 PolarHBondContact N-OD2 3.14Å; L98-D101 WeakPolarHBondContact O-CB 3.46Å; L98-D101 PolarHBondContact O-N 3.08Å; L98-D101 VanDerWaalsContact O-N 3.1Å; L98-F272 HydrophobicContact CD2-CZ 4.29Å; L98-Y283 HydrophobicContact CD2-CD1 4.4Å; L98-Y283 HydrophobicContact CD2-CE1 4.22Å
99P85.5Confident79.4Confident1 Ų160.8 Ų60.81%0.00629%0.289CS..THydrogen-bonded Turntrans-54.6-38.6-178.5-28.836.2000114.2D101 A264 R267 F272P99-D101 VanDerWaalsContact C-N 3.35Å; P99-D101 PolarHBondContact O-N 3.24Å; P99-A264 HydrophobicContact CB-CB 4.28Å; P99-A264 VanDerWaalsContact CB-O 3.28Å; P99-A264 WeakPolarHBondContact CB-O 3.34Å; P99-A264 VanDerWaalsContact O-CB 3.24Å; P99-A264 WeakPolarHBondContact O-CB 3.28Å; P99-R267 HydrophobicContact CB-CB 3.87Å; P99-R267 HydrophobicContact CG-CB 4.13Å; P99-F272 HydrophobicContact CG-CE2 3.97Å
100Q88.3Confident81.2Confident6 Ų656 Ų563%0.02827%0.265CS..THydrogen-bonded Turntrans-77.6-11.6-178.769.3-83.67.900115L98 N102 V103 T104 I290L98-Q100 PolarHBondContact O-N 3.03Å; Q100-N102 PolarHBondContact O-N 3.45Å; Q100-V103 VanDerWaalsContact O-CB 3.3Å; Q100-V103 WeakPolarHBondContact O-CB 3.46Å; Q100-V103 PolarHBondContact O-N 2.73Å; Q100-T104 PolarHBondContact O-N 3.25Å; Q100-I290 HydrophobicContact CB-CB 4.42Å; Q100-I290 HydrophobicContact CB-CG2 4.09Å; Q100-I290 HydrophobicContact CG-CB 4.07Å; Q100-I290 HydrophobicContact CG-CD1 3.85Å; Q100-I290 HydrophobicContact CG-CG2 3.84Å
101D89.9Confident83.3Confident28 Ų2848.6 Ų48.615%0.1523%0.226CC..Hα-helixtrans-62.7-32.4-175.4-65.6-10.4000111.4L98 P99 V103 T104 L105L98-D101 PolarHBondContact N-OD2 3.14Å; L98-D101 WeakPolarHBondContact O-CB 3.46Å; L98-D101 PolarHBondContact O-N 3.08Å; L98-D101 VanDerWaalsContact O-N 3.1Å; P99-D101 VanDerWaalsContact C-N 3.35Å; P99-D101 PolarHBondContact O-N 3.24Å; D101-V103 VanDerWaalsContact C-N 3.3Å; D101-V103 PolarHBondContact O-N 2.91Å; D101-T104 PolarHBondContact O-N 2.81Å; D101-T104 PolarHBondContact O-OG1 3.25Å; D101-L105 VanDerWaalsContact O-CB 3.29Å; D101-L105 WeakPolarHBondContact O-CB 3.39Å; D101-L105 WeakPolarHBondContact O-CD1 3.23Å; D101-L105 WeakPolarHBondContact O-CG 3.16Å; D101-L105 PolarHBondContact O-N 2.84Å
102N90.5Very high85.3Confident5 Ų538.9 Ų38.93%0.02719%0.189CC..Hα-helixtrans-68.4-30.2174.9-79.821.9000113.1W97 Q100 F106 D225 S227 E260W97-N102 PolarHBondContact NE1-OD1 3.42Å; Q100-N102 PolarHBondContact O-N 3.45Å; N102-F106 WeakPolarHBondContact O-CB 3.34Å; N102-F106 PolarHBondContact O-N 3.24Å; N102-D225 PolarHBondContact ND2-O 2.99Å; N102-S227 PolarHBondContact ND2-N 2.93Å; N102-S227 VanDerWaalsContact ND2-N 3.16Å; N102-S227 PolarHBondContact ND2-OG 3.16Å; N102-E260 WeakPolarHBondContact CB-OE2 3.39Å; N102-E260 PolarHBondContact ND2-OE2 2.7Å
103V94.1Very high87.2Confident0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-69.1-47.1177.8-177.60000109.4Q100 D101 F106 L107 F257 E260 V261 A264 A294Q100-V103 VanDerWaalsContact O-CB 3.3Å; Q100-V103 WeakPolarHBondContact O-CB 3.46Å; Q100-V103 PolarHBondContact O-N 2.73Å; D101-V103 VanDerWaalsContact C-N 3.3Å; D101-V103 PolarHBondContact O-N 2.91Å; V103-F106 WeakPolarHBondContact O-CB 3.46Å; V103-F106 PolarHBondContact O-N 3.34Å; V103-L107 PolarHBondContact O-N 3.4Å; V103-F257 HydrophobicContact CG1-CE2 3.66Å; V103-F257 HydrophobicContact CG1-CZ 3.95Å; V103-E260 HydrophobicContact CG2-CB 4.26Å; V103-E260 WeakPolarHBondContact CG2-O 3.48Å; V103-V261 HydrophobicContact CG1-CG2 3.83Å; V103-V261 HydrophobicContact CG2-CG2 4.25Å; V103-A264 HydrophobicContact CG2-CB 3.8Å; V103-A294 HydrophobicContact CG1-CB 3.76Å
104T93.8Very high89.1Confident2 Ų225 Ų251%0.01213%0.128CC..Hα-helixtrans-69.8-37.117850.50000111.9L83 L84 Q100 D101 F106 L107 F108 I290L83-T104 HydrophobicContact CB-CG2 3.97Å; L84-T104 VanDerWaalsContact CD1-OG1 3.26Å; L84-T104 WeakPolarHBondContact CD1-OG1 3.33Å; Q100-T104 PolarHBondContact O-N 3.25Å; D101-T104 PolarHBondContact O-N 2.81Å; D101-T104 PolarHBondContact O-OG1 3.25Å; T104-F106 VanDerWaalsContact C-N 3.31Å; T104-F106 PolarHBondContact O-N 3.42Å; T104-L107 VanDerWaalsContact O-CB 3.3Å; T104-L107 WeakPolarHBondContact O-CB 3.44Å; T104-L107 PolarHBondContact O-N 2.83Å; T104-L107 VanDerWaalsContact O-N 3.08Å; T104-F108 PolarHBondContact O-N 3.47Å; T104-I290 HydrophobicContact CG2-CG2 3.61Å
105L93.2Very high90.8Very high22 Ų2222.4 Ų22.412%0.11511%0.109CC..Hα-helixtrans-67.1-29.8171.5-73.1170.7000113.2L84 W97 D101 L107 F108 R109 V224L84-L105 HydrophobicContact CD1-CD2 4.16Å; L84-L105 HydrophobicContact CD1-CG 3.91Å; L84-L105 HydrophobicContact CD2-CD2 3.87Å; W97-L105 HydrophobicContact CH2-CD1 4.02Å; W97-L105 HydrophobicContact CZ2-CD1 3.61Å; D101-L105 VanDerWaalsContact O-CB 3.29Å; D101-L105 WeakPolarHBondContact O-CB 3.39Å; D101-L105 WeakPolarHBondContact O-CD1 3.23Å; D101-L105 WeakPolarHBondContact O-CG 3.16Å; D101-L105 PolarHBondContact O-N 2.84Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 3.23Å; L105-F108 PolarHBondContact O-N 2.95Å; L105-R109 PolarHBondContact O-N 3.02Å; L105-V224 HydrophobicContact CD1-CB 4.19Å; L105-V224 HydrophobicContact CD1-CG1 3.73Å; L105-V224 HydrophobicContact CD1-CG2 4.05Å
106F95.6Very high92.3Very high1 Ų115.9 Ų15.90%0.0047%0.069CC..Hα-helixtrans-62.2-37.2168.8-173.2-81.5000111.2N102 V103 T104 F108 R109 W110 L181 G253 M256 F257 E260 F298N102-F106 WeakPolarHBondContact O-CB 3.34Å; N102-F106 PolarHBondContact O-N 3.24Å; V103-F106 WeakPolarHBondContact O-CB 3.46Å; V103-F106 PolarHBondContact O-N 3.34Å; T104-F106 VanDerWaalsContact C-N 3.31Å; T104-F106 PolarHBondContact O-N 3.42Å; F106-F108 VanDerWaalsContact C-N 3.28Å; F106-F108 PolarHBondContact O-N 3.11Å; F106-R109 CarbonylContact O-C 3.57Å; F106-R109 WeakPolarHBondContact O-CB 3.37Å; F106-R109 PolarHBondContact O-N 2.88Å; F106-R109 VanDerWaalsContact O-N 3.12Å; F106-W110 HydrophobicContact CD1-CB 4.29Å; F106-W110 HydrophobicContact CE1-CB 4.1Å; F106-W110 VanDerWaalsContact O-CB 3.31Å; F106-W110 WeakPolarHBondContact O-CB 3.44Å; F106-W110 PolarHBondContact O-N 3.38Å; F106-L181 HydrophobicContact CZ-CD2 4.15Å; F106-G253 WeakPolarHBondContact CZ-O 3.28Å; F106-M256 HydrophobicContact CE2-CB 3.47Å; F106-M256 VanDerWaalsContact CE2-CB 3.47Å; F106-M256 HydrophobicContact CZ-CB 3.73Å; F106-F257 HydrophobicContact CD1-CB 3.9Å; F106-F257 AromaticContact CD1-CD2 3.57Å; F106-F257 HydrophobicContact CD1-CD2 3.57Å; F106-F257 HydrophobicContact CD1-CG 4.22Å; F106-F257 HydrophobicContact CE1-CB 3.56Å; F106-F257 HydrophobicContact CE1-CD2 4.08Å; F106-F257 HydrophobicContact CE1-CG 4.3Å; F106-F257 HydrophobicContact CG-CD2 4.32Å; F106-F257 HydrophobicContact CZ-CB 4.14Å; F106-E260 HydrophobicContact CB-CG 4.39Å; F106-E260 HydrophobicContact CD2-CG 4.23Å; F106-F298 HydrophobicContact CE1-CD2 4.49Å; F106-F298 AromaticContact CE1-CE2 3.96Å; F106-F298 HydrophobicContact CE1-CE2 3.96Å
107L97.2Very high93.3Very high2 Ų211.9 Ų11.91%0.015%0.052CC..Hα-helixtrans-61.1-37.2174.3-58.6179.1000112.2L80 L83 V103 T104 L105 W110 L111 F257 A294 V297 F298L80-L107 HydrophobicContact CD1-CB 3.94Å; L80-L107 HydrophobicContact CD2-CB 3.7Å; L80-L107 HydrophobicContact CD2-CD1 3.65Å; L80-L107 HydrophobicContact CD2-CG 4.31Å; L80-L107 HydrophobicContact CG-CB 4.41Å; L83-L107 HydrophobicContact CD1-CD1 4.25Å; V103-L107 PolarHBondContact O-N 3.4Å; T104-L107 VanDerWaalsContact O-CB 3.3Å; T104-L107 WeakPolarHBondContact O-CB 3.44Å; T104-L107 PolarHBondContact O-N 2.83Å; T104-L107 VanDerWaalsContact O-N 3.08Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 3.23Å; L107-W110 PolarHBondContact O-N 2.8Å; L107-L111 WeakPolarHBondContact O-CB 3.19Å; L107-L111 PolarHBondContact O-N 3.01Å; L107-F257 HydrophobicContact CD2-CD2 4.25Å; L107-F257 HydrophobicContact CD2-CE2 3.72Å; L107-F257 HydrophobicContact CG-CE2 4.43Å; L107-A294 HydrophobicContact CD1-CB 3.82Å; L107-V297 HydrophobicContact CD1-CB 4.43Å; L107-V297 HydrophobicContact CD1-CG1 4.29Å; L107-F298 HydrophobicContact CD2-CB 3.74Å; L107-F298 HydrophobicContact CD2-CD2 4.15Å; L107-F298 HydrophobicContact CD2-CG 4.4Å
108F96.9Very high93.8Very high23 Ų236.6 Ų6.610%0.1013%0.034CC..Hα-helixtrans-66.3-41.3172.4-81.7-81.9000112.3A77 L80 A81 L84 T104 L105 F106 W110 L111 G112 I218A77-F108 HydrophobicContact CB-CE1 4.29Å; A77-F108 WeakPolarHBondContact O-CZ 3.49Å; L80-F108 HydrophobicContact CB-CD2 4.06Å; L80-F108 HydrophobicContact CB-CE1 4Å; L80-F108 HydrophobicContact CB-CE2 3.51Å; L80-F108 HydrophobicContact CB-CZ 3.48Å; L80-F108 VanDerWaalsContact CB-CZ 3.48Å; L80-F108 HydrophobicContact CD1-CD1 4.28Å; L80-F108 HydrophobicContact CD1-CD2 4.42Å; L80-F108 HydrophobicContact CD1-CE1 4.47Å; L80-F108 HydrophobicContact CD1-CG 4.26Å; A81-F108 HydrophobicContact CB-CZ 4.24Å; L84-F108 HydrophobicContact CB-CE2 4.25Å; L84-F108 HydrophobicContact CD2-CD2 4.37Å; L84-F108 HydrophobicContact CD2-CE2 3.88Å; T104-F108 PolarHBondContact O-N 3.47Å; L105-F108 PolarHBondContact O-N 2.95Å; F106-F108 VanDerWaalsContact C-N 3.28Å; F106-F108 PolarHBondContact O-N 3.11Å; F108-W110 VanDerWaalsContact C-N 3.32Å; F108-W110 PolarHBondContact O-N 2.87Å; F108-L111 PolarHBondContact O-N 3.02Å; F108-G112 PolarHBondContact O-N 2.98Å; F108-I218 HydrophobicContact CD1-CG1 4.43Å; F108-I218 WeakPolarHBondContact O-CG2 3.43Å
109R95.9Very high94.2Very high7 Ų76.4 Ų6.43%0.0263%0.034CC..Hα-helixtrans-61.6-43173.8-71.6-174.8-75.6170.2-6.5111.2L105 F106 G112 F113 S221 E260L105-R109 PolarHBondContact O-N 3.02Å; F106-R109 CarbonylContact O-C 3.57Å; F106-R109 WeakPolarHBondContact O-CB 3.37Å; F106-R109 PolarHBondContact O-N 2.88Å; F106-R109 VanDerWaalsContact O-N 3.12Å; R109-G112 PolarHBondContact O-N 3.33Å; R109-F113 WeakPolarHBondContact O-CB 3.39Å; R109-F113 PolarHBondContact O-N 3.41Å; R109-S221 WeakPolarHBondContact CA-OG 3.33Å; R109-S221 VanDerWaalsContact CG-OG 3.3Å; R109-S221 WeakPolarHBondContact CG-OG 3.2Å; R109-S221 PolarHBondContact N-OG 3.21Å; R109-E260 IonicContact CZ-OE1 2.93Å; R109-E260 IonicContact NH2-OE1 3.25Å; R109-E260 PolarHBondContact NH2-OE1 2.99Å
110W97.1Very high94.6Very high1 Ų16.4 Ų6.40%0.0043%0.033CC..Hα-helixtrans-63.8-41.8176.2175.3-112.6000112.1F106 L107 F108 F113 R114 L181 F298 S301 L302 L305F106-W110 HydrophobicContact CD1-CB 4.29Å; F106-W110 HydrophobicContact CE1-CB 4.1Å; F106-W110 VanDerWaalsContact O-CB 3.31Å; F106-W110 WeakPolarHBondContact O-CB 3.44Å; F106-W110 PolarHBondContact O-N 3.38Å; L107-W110 PolarHBondContact O-N 2.8Å; F108-W110 VanDerWaalsContact C-N 3.32Å; F108-W110 PolarHBondContact O-N 2.87Å; W110-F113 HydrophobicContact CD2-CD1 4.31Å; W110-F113 AromaticContact CE3-CD1 3.59Å; W110-F113 HydrophobicContact CE3-CD1 3.59Å; W110-F113 HydrophobicContact CE3-CE1 4.06Å; W110-F113 HydrophobicContact CH2-CD1 4.18Å; W110-F113 AromaticContact CH2-CE1 3.83Å; W110-F113 HydrophobicContact CH2-CE1 3.83Å; W110-F113 AromaticContact CZ3-CD1 3.53Å; W110-F113 HydrophobicContact CZ3-CD1 3.53Å; W110-F113 AromaticContact CZ3-CE1 3.47Å; W110-F113 HydrophobicContact CZ3-CE1 3.47Å; W110-F113 VanDerWaalsContact CZ3-CE1 3.47Å; W110-F113 PolarHBondContact O-N 2.73Å; W110-R114 VanDerWaalsContact CD1-NE 3.28Å; W110-R114 HydrophobicContact CD2-CG 4.25Å; W110-R114 HydrophobicContact CH2-CG 4.41Å; W110-R114 HydrophobicContact CZ2-CG 3.82Å; W110-R114 WeakPolarHBondContact O-CB 3.29Å; W110-R114 WeakPolarHBondContact O-CG 3.46Å; W110-R114 PolarHBondContact O-N 3.44Å; W110-L181 HydrophobicContact CE3-CD1 4.33Å; W110-L181 HydrophobicContact CE3-CD2 3.96Å; W110-L181 HydrophobicContact CZ3-CD1 4.17Å; W110-F298 AromaticContact CD1-CD2 3.86Å; W110-F298 HydrophobicContact CD2-CD2 4.28Å; W110-F298 AromaticContact CD2-CE2 3.65Å; W110-F298 HydrophobicContact CD2-CE2 3.65Å; W110-F298 AromaticContact CE2-CE2 3.81Å; W110-F298 HydrophobicContact CE3-CE2 4.03Å; W110-F298 HydrophobicContact CG-CD2 4.06Å; W110-F298 AromaticContact CG-CE2 3.85Å; W110-F298 HydrophobicContact CG-CE2 3.85Å; W110-F298 HydrophobicContact CZ2-CE2 4.38Å; W110-F298 AromaticContact NE1-CD2 3.99Å; W110-F298 AromaticContact NE1-CE2 3.96Å; W110-S301 VanDerWaalsContact CD1-OG 3.28Å; W110-S301 PolarHBondContact NE1-OG 3.5Å; W110-L302 HydrophobicContact CH2-CD2 3.85Å; W110-L302 HydrophobicContact CZ2-CD2 3.62Å; W110-L302 HydrophobicContact CZ2-CG 4.5Å; W110-L305 HydrophobicContact CH2-CD2 3.69Å; W110-L305 HydrophobicContact CZ2-CD2 4.13Å
111L97.6Very high94.7Very high0 Ų06.1 Ų6.10%03%0.032CC..Hα-helixtrans-61.2-49.2172.5174.857.9000111.4L73 E76 A77 L80 L107 F108 F113 R114 L115 I218 Y336L73-L111 HydrophobicContact CD1-CD1 3.88Å; L73-L111 HydrophobicContact CD1-CD2 4.22Å; L73-L111 HydrophobicContact CD1-CG 4.24Å; E76-L111 HydrophobicContact CG-CD1 3.95Å; E76-L111 HydrophobicContact CG-CD2 4.17Å; E76-L111 WeakPolarHBondContact OE1-CD1 3.43Å; A77-L111 HydrophobicContact CB-CD2 4.02Å; L80-L111 HydrophobicContact CD1-CB 4.13Å; L80-L111 HydrophobicContact CD1-CD2 3.87Å; L107-L111 WeakPolarHBondContact O-CB 3.19Å; L107-L111 PolarHBondContact O-N 3.01Å; F108-L111 PolarHBondContact O-N 3.02Å; L111-F113 VanDerWaalsContact C-N 3.33Å; L111-F113 PolarHBondContact O-N 3.18Å; L111-R114 PolarHBondContact O-N 3.36Å; L111-L115 VanDerWaalsContact O-CB 3.26Å; L111-L115 WeakPolarHBondContact O-CB 3.24Å; L111-L115 PolarHBondContact O-N 3.47Å; L111-I218 HydrophobicContact CB-CG2 4.34Å; L111-I218 HydrophobicContact CD2-CD1 3.88Å; L111-I218 HydrophobicContact CD2-CG1 4.33Å; L111-I218 HydrophobicContact CD2-CG2 4.28Å; L111-I218 HydrophobicContact CG-CD1 4.34Å; L111-I218 HydrophobicContact CG-CG2 4.1Å; L111-Y336 HydrophobicContact CD1-CE2 3.89Å
112G97Very high94.6Very high0 Ų06.2 Ų6.20%03%0.033CC..Hα-helixtrans-59.8-42.9177.100000112.4F108 R109 M116F108-G112 PolarHBondContact O-N 2.98Å; R109-G112 PolarHBondContact O-N 3.33Å; G112-M116 WeakPolarHBondContact O-CB 3.32Å; G112-M116 VanDerWaalsContact O-CG 3.26Å; G112-M116 WeakPolarHBondContact O-CG 3.45Å; G112-M116 PolarHBondContact O-N 2.95Å; G112-M116 VanDerWaalsContact O-N 3.12Å
113F96.9Very high94.5Very high0 Ų06.8 Ų6.80%04%0.036CC..Hα-helixtrans-58.1-58171.7159.4-104.4000111.2R109 W110 L111 L115 M116 F117 S177 L178 M180 L181 V249 L305R109-F113 WeakPolarHBondContact O-CB 3.39Å; R109-F113 PolarHBondContact O-N 3.41Å; W110-F113 HydrophobicContact CD2-CD1 4.31Å; W110-F113 AromaticContact CE3-CD1 3.59Å; W110-F113 HydrophobicContact CE3-CD1 3.59Å; W110-F113 HydrophobicContact CE3-CE1 4.06Å; W110-F113 HydrophobicContact CH2-CD1 4.18Å; W110-F113 AromaticContact CH2-CE1 3.83Å; W110-F113 HydrophobicContact CH2-CE1 3.83Å; W110-F113 AromaticContact CZ3-CD1 3.53Å; W110-F113 HydrophobicContact CZ3-CD1 3.53Å; W110-F113 AromaticContact CZ3-CE1 3.47Å; W110-F113 HydrophobicContact CZ3-CE1 3.47Å; W110-F113 VanDerWaalsContact CZ3-CE1 3.47Å; W110-F113 PolarHBondContact O-N 2.73Å; L111-F113 VanDerWaalsContact C-N 3.33Å; L111-F113 PolarHBondContact O-N 3.18Å; F113-L115 VanDerWaalsContact C-N 3.31Å; F113-L115 PolarHBondContact O-N 3.44Å; F113-M116 PolarHBondContact O-N 2.94Å; F113-F117 HydrophobicContact CD2-CB 3.92Å; F113-F117 HydrophobicContact CD2-CG 4.4Å; F113-F117 HydrophobicContact CE2-CB 3.5Å; F113-F117 HydrophobicContact CE2-CD1 4.19Å; F113-F117 AromaticContact CE2-CD2 3.65Å; F113-F117 HydrophobicContact CE2-CD2 3.65Å; F113-F117 HydrophobicContact CE2-CE2 4.41Å; F113-F117 AromaticContact CE2-CG 3.51Å; F113-F117 HydrophobicContact CE2-CG 3.51Å; F113-F117 HydrophobicContact CZ-CB 3.93Å; F113-F117 AromaticContact CZ-CD1 3.94Å; F113-F117 HydrophobicContact CZ-CD1 3.94Å; F113-F117 HydrophobicContact CZ-CD2 4.17Å; F113-F117 AromaticContact CZ-CG 3.74Å; F113-F117 HydrophobicContact CZ-CG 3.74Å; F113-F117 WeakPolarHBondContact O-CB 3.36Å; F113-F117 PolarHBondContact O-N 3.33Å; F113-S177 WeakPolarHBondContact CD2-O 3.37Å; F113-L178 HydrophobicContact CE2-CD2 3.78Å; F113-M180 HydrophobicContact CB-CB 4.26Å; F113-L181 HydrophobicContact CB-CD2 3.92Å; F113-L181 HydrophobicContact CB-CG 4.17Å; F113-L181 HydrophobicContact CD1-CD1 3.88Å; F113-L181 HydrophobicContact CD1-CD2 4.27Å; F113-L181 HydrophobicContact CD1-CG 4.36Å; F113-L181 HydrophobicContact CD2-CD1 4.06Å; F113-L181 HydrophobicContact CD2-CG 4.27Å; F113-L181 HydrophobicContact CE1-CD1 4.11Å; F113-L181 HydrophobicContact CE2-CD1 4.29Å; F113-L181 HydrophobicContact CG-CD1 3.86Å; F113-L181 HydrophobicContact CG-CD2 4.08Å; F113-L181 HydrophobicContact CG-CG 3.97Å; F113-L181 HydrophobicContact CZ-CD1 4.33Å; F113-V249 HydrophobicContact CE1-CG1 4.12Å; F113-V249 HydrophobicContact CE2-CG1 3.87Å; F113-V249 HydrophobicContact CZ-CG1 3.31Å; F113-L305 HydrophobicContact CE1-CD2 4.03Å; F113-L305 HydrophobicContact CZ-CD2 4.49Å
114R95.5Very high94.3Very high8 Ų88.4 Ų8.43%0.034%0.044CC..Hα-helixtrans-56.1-46.1-177.6-81.3-171.9-68.1114.1-2.2111.9E76 W110 L111 A118 S301E76-R114 IonicContact OE1-CZ 3.66Å; E76-R114 IonicContact OE1-NH1 3.94Å; E76-R114 PolarHBondContact OE1-NH1 3.34Å; E76-R114 IonicContact OE1-NH2 2.62Å; E76-R114 PolarHBondContact OE1-NH2 2.93Å; W110-R114 VanDerWaalsContact CD1-NE 3.28Å; W110-R114 HydrophobicContact CD2-CG 4.25Å; W110-R114 HydrophobicContact CH2-CG 4.41Å; W110-R114 HydrophobicContact CZ2-CG 3.82Å; W110-R114 WeakPolarHBondContact O-CB 3.29Å; W110-R114 WeakPolarHBondContact O-CG 3.46Å; W110-R114 PolarHBondContact O-N 3.44Å; L111-R114 PolarHBondContact O-N 3.36Å; R114-A118 WeakPolarHBondContact O-CB 3.38Å; R114-A118 PolarHBondContact O-N 3.29Å; R114-S301 VanDerWaalsContact CD-O 3.22Å; R114-S301 WeakPolarHBondContact CD-O 3.49Å
115L96.4Very high93.8Very high1 Ų111.7 Ų11.71%0.0056%0.061CC..Hα-helixtrans-56.9-53.9178.9175.161.5000111.7L73 L111 F113 S119 F211 C215 Y336L73-L115 HydrophobicContact CD1-CD2 3.97Å; L73-L115 HydrophobicContact CD2-CD1 4.43Å; L73-L115 HydrophobicContact CD2-CD2 3.62Å; L73-L115 HydrophobicContact CG-CD2 4.48Å; L111-L115 VanDerWaalsContact O-CB 3.26Å; L111-L115 WeakPolarHBondContact O-CB 3.24Å; L111-L115 PolarHBondContact O-N 3.47Å; F113-L115 VanDerWaalsContact C-N 3.31Å; F113-L115 PolarHBondContact O-N 3.44Å; L115-S119 WeakPolarHBondContact O-CB 3.2Å; L115-S119 PolarHBondContact O-N 3.33Å; L115-S119 VanDerWaalsContact O-N 3.11Å; L115-S119 PolarHBondContact O-OG 3.39Å; L115-F211 HydrophobicContact CD1-CE2 4.23Å; L115-F211 HydrophobicContact CD1-CZ 4.3Å; L115-F211 HydrophobicContact CD2-CE2 4.49Å; L115-C215 VanDerWaalsContact CD2-SG 3.52Å; L115-Y336 HydrophobicContact CB-CD2 3.99Å; L115-Y336 HydrophobicContact CB-CE2 4.24Å; L115-Y336 HydrophobicContact CD1-CD1 3.92Å; L115-Y336 HydrophobicContact CD1-CD2 3.77Å; L115-Y336 HydrophobicContact CD1-CE1 4.42Å; L115-Y336 HydrophobicContact CD1-CE2 4.27Å; L115-Y336 HydrophobicContact CD1-CG 3.53Å
116M96.6Very high93.2Very high4 Ų414.6 Ų14.62%0.028%0.076CC..Hα-helixtrans-73-44.9-175.1-62.1-57.5-178.600111.6G112 F113 S119 G120 L173 Q195 M199 C215G112-M116 WeakPolarHBondContact O-CB 3.32Å; G112-M116 VanDerWaalsContact O-CG 3.26Å; G112-M116 WeakPolarHBondContact O-CG 3.45Å; G112-M116 PolarHBondContact O-N 2.95Å; G112-M116 VanDerWaalsContact O-N 3.12Å; F113-M116 PolarHBondContact O-N 2.94Å; M116-S119 PolarHBondContact O-N 2.96Å; M116-G120 PolarHBondContact O-N 2.82Å; M116-L173 CarbonylContact C-O 3.56Å; M116-L173 VanDerWaalsContact C-O 3.24Å; M116-L173 HydrophobicContact CB-CD2 4.26Å; M116-L173 HydrophobicContact SD-CD2 3.82Å; M116-Q195 HydrophobicContact CE-CB 4.41Å; M116-Q195 HydrophobicContact CG-CG 4.27Å; M116-Q195 PolarHBondContact SD-OE1 3.18Å; M116-M199 HydrophobicContact CE-CE 3.83Å; M116-M199 HydrophobicContact CE-CG 4.37Å; M116-M199 HydrophobicContact CE-SD 4.14Å; M116-M199 HydrophobicContact SD-CE 4.12Å; M116-C215 HydrophobicContact CE-CB 3.86Å
117F95.3Very high92.6Very high5 Ų521.6 Ų21.62%0.02211%0.109CC..Hα-helixtrans-61.2-52.3179.7-174.8-96.1000111.3F113 S119 G120 V121 L173 I174 L178 V242 L246 L305 I308F113-F117 HydrophobicContact CD2-CB 3.92Å; F113-F117 HydrophobicContact CD2-CG 4.4Å; F113-F117 HydrophobicContact CE2-CB 3.5Å; F113-F117 HydrophobicContact CE2-CD1 4.19Å; F113-F117 AromaticContact CE2-CD2 3.65Å; F113-F117 HydrophobicContact CE2-CD2 3.65Å; F113-F117 HydrophobicContact CE2-CE2 4.41Å; F113-F117 AromaticContact CE2-CG 3.51Å; F113-F117 HydrophobicContact CE2-CG 3.51Å; F113-F117 HydrophobicContact CZ-CB 3.93Å; F113-F117 AromaticContact CZ-CD1 3.94Å; F113-F117 HydrophobicContact CZ-CD1 3.94Å; F113-F117 HydrophobicContact CZ-CD2 4.17Å; F113-F117 AromaticContact CZ-CG 3.74Å; F113-F117 HydrophobicContact CZ-CG 3.74Å; F113-F117 WeakPolarHBondContact O-CB 3.36Å; F113-F117 PolarHBondContact O-N 3.33Å; F117-S119 VanDerWaalsContact C-N 3.33Å; F117-S119 PolarHBondContact O-N 3.49Å; F117-G120 PolarHBondContact O-N 3.35Å; F117-G120 VanDerWaalsContact O-N 3.16Å; F117-V121 HydrophobicContact CD1-CG2 4.05Å; F117-V121 HydrophobicContact CD2-CG2 4.33Å; F117-V121 HydrophobicContact CE1-CG2 3.71Å; F117-V121 HydrophobicContact CE2-CG2 4.01Å; F117-V121 HydrophobicContact CG-CG2 4.35Å; F117-V121 HydrophobicContact CZ-CG2 3.69Å; F117-V121 WeakPolarHBondContact O-CG2 3.45Å; F117-V121 PolarHBondContact O-N 2.91Å; F117-L173 WeakPolarHBondContact CA-O 3.36Å; F117-L173 PolarHBondContact N-O 3.19Å; F117-I174 HydrophobicContact CD2-CG2 4.17Å; F117-I174 HydrophobicContact CE2-CG2 3.89Å; F117-L178 HydrophobicContact CD2-CD2 4.33Å; F117-L178 HydrophobicContact CE2-CD2 4.17Å; F117-V242 HydrophobicContact CZ-CG1 4.47Å; F117-L246 HydrophobicContact CE1-CD1 3.82Å; F117-L246 HydrophobicContact CZ-CD1 4.4Å; F117-L305 HydrophobicContact CD1-CD1 3.92Å; F117-L305 HydrophobicContact CE1-CD1 4.29Å; F117-I308 HydrophobicContact CD1-CD1 4.49Å
118A91.7Very high92Very high8 Ų822.7 Ų22.77%0.06612%0.115CC..Hα-helixtrans-60.1-45177.700000111R114 G120 V121 V122 I308 Y336R114-A118 WeakPolarHBondContact O-CB 3.38Å; R114-A118 PolarHBondContact O-N 3.29Å; A118-G120 PolarHBondContact O-N 3.13Å; A118-V121 PolarHBondContact O-N 3.03Å; A118-V122 WeakPolarHBondContact O-CG1 3.35Å; A118-V122 VanDerWaalsContact O-CG2 3.26Å; A118-V122 WeakPolarHBondContact O-CG2 3.46Å; A118-V122 PolarHBondContact O-N 3.26Å; A118-I308 HydrophobicContact CB-CD1 3.88Å; A118-Y336 VanDerWaalsContact CB-O 3.32Å; A118-Y336 WeakPolarHBondContact CB-O 3.44Å
119S93.1Very high91.8Very high11 Ų1127.8 Ų27.88%0.07714%0.139CC..Hα-helixtrans-58.7-31.3177.8-63.60000113.7L115 M116 F117 K123L115-S119 WeakPolarHBondContact O-CB 3.2Å; L115-S119 PolarHBondContact O-N 3.33Å; L115-S119 VanDerWaalsContact O-N 3.11Å; L115-S119 PolarHBondContact O-OG 3.39Å; M116-S119 PolarHBondContact O-N 2.96Å; F117-S119 VanDerWaalsContact C-N 3.33Å; F117-S119 PolarHBondContact O-N 3.49Å; S119-K123 WeakPolarHBondContact O-CD 3.22Å; S119-K123 WeakPolarHBondContact O-CG 3.2Å; S119-K123 PolarHBondContact O-NZ 2.92Å
120G93.5Very high91.7Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-80.7-48.917500000112.9M116 F117 A118 V122 K123M116-G120 PolarHBondContact O-N 2.82Å; F117-G120 PolarHBondContact O-N 3.35Å; F117-G120 VanDerWaalsContact O-N 3.16Å; A118-G120 PolarHBondContact O-N 3.13Å; G120-V122 PolarHBondContact O-N 3.24Å; G120-K123 WeakPolarHBondContact O-CB 3.34Å; G120-K123 PolarHBondContact O-N 3.48Å
121V91.4Very high91.5Very high1 Ų128.6 Ų28.61%0.00614%0.143CC..Hα-helixtrans-66.7-40.2-174176.50000112F117 A118 K123 L124 L125 I174 V242 I308F117-V121 HydrophobicContact CD1-CG2 4.05Å; F117-V121 HydrophobicContact CD2-CG2 4.33Å; F117-V121 HydrophobicContact CE1-CG2 3.71Å; F117-V121 HydrophobicContact CE2-CG2 4.01Å; F117-V121 HydrophobicContact CG-CG2 4.35Å; F117-V121 HydrophobicContact CZ-CG2 3.69Å; F117-V121 WeakPolarHBondContact O-CG2 3.45Å; F117-V121 PolarHBondContact O-N 2.91Å; A118-V121 PolarHBondContact O-N 3.03Å; V121-K123 PolarHBondContact O-N 3.39Å; V121-K123 VanDerWaalsContact O-N 3.16Å; V121-L124 WeakPolarHBondContact O-CB 3.33Å; V121-L124 PolarHBondContact O-N 3.3Å; V121-L125 HydrophobicContact CG1-CD1 3.82Å; V121-L125 HydrophobicContact CG1-CG 3.94Å; V121-L125 PolarHBondContact O-N 3.42Å; V121-I174 HydrophobicContact CG2-CD1 4.14Å; V121-I174 HydrophobicContact CG2-CG1 4.16Å; V121-I174 HydrophobicContact CG2-CG2 4.29Å; V121-V242 HydrophobicContact CG1-CG1 4.02Å; V121-V242 HydrophobicContact CG2-CG1 3.89Å; V121-I308 HydrophobicContact CB-CG2 4.36Å; V121-I308 HydrophobicContact CG1-CG2 3.48Å; V121-I308 VanDerWaalsContact CG1-CG2 3.48Å
122V86.6Confident91.3Very high29 Ų2935.4 Ų35.418%0.17617%0.169CC..Hα-helixtrans-62.1-26.6-179.9-61.50000113.2A118 G120 L124 L125 I126 A340A118-V122 WeakPolarHBondContact O-CG1 3.35Å; A118-V122 VanDerWaalsContact O-CG2 3.26Å; A118-V122 WeakPolarHBondContact O-CG2 3.46Å; A118-V122 PolarHBondContact O-N 3.26Å; G120-V122 PolarHBondContact O-N 3.24Å; V122-L124 VanDerWaalsContact C-N 3.26Å; V122-L124 PolarHBondContact O-N 2.83Å; V122-L125 PolarHBondContact O-N 3.38Å; V122-I126 WeakPolarHBondContact O-CG2 3.49Å; V122-I126 PolarHBondContact O-N 3.47Å; V122-A340 HydrophobicContact CB-CB 4.25Å; V122-A340 HydrophobicContact CG2-CB 3.84Å
123K89.1Confident91.2Very high17 Ų1738.8 Ų38.87%0.07419%0.19CC..Hα-helixtrans-67.2-28.7175.6-69.2174.9169.967.20112.2S119 G120 V121 W131 F170 L338S119-K123 WeakPolarHBondContact O-CD 3.22Å; S119-K123 WeakPolarHBondContact O-CG 3.2Å; S119-K123 PolarHBondContact O-NZ 2.92Å; G120-K123 WeakPolarHBondContact O-CB 3.34Å; G120-K123 PolarHBondContact O-N 3.48Å; V121-K123 PolarHBondContact O-N 3.39Å; V121-K123 VanDerWaalsContact O-N 3.16Å; K123-W131 HydrophobicContact CB-CD2 3.94Å; K123-W131 HydrophobicContact CB-CE3 4.49Å; K123-W131 HydrophobicContact CB-CG 3.96Å; K123-W131 HydrophobicContact CD-CD2 4.11Å; K123-W131 HydrophobicContact CD-CE3 4.12Å; K123-W131 HydrophobicContact CD-CH2 3.68Å; K123-W131 HydrophobicContact CD-CZ2 3.59Å; K123-W131 HydrophobicContact CD-CZ3 3.92Å; K123-W131 VanDerWaalsContact CE-CH2 3.49Å; K123-W131 VanDerWaalsContact CE-CZ2 3.42Å; K123-W131 HydrophobicContact CG-CD2 4.15Å; K123-W131 HydrophobicContact CG-CH2 4.5Å; K123-W131 HydrophobicContact CG-CZ2 3.94Å; K123-W131 VanDerWaalsContact O-CD1 3.29Å; K123-F170 HydrophobicContact CB-CE1 3.87Å; K123-F170 HydrophobicContact CB-CZ 4.13Å; K123-L338 PolarHBondContact NZ-O 3.45Å
124L89.1Confident91.2Very high34 Ų3441.5 Ų41.518%0.17820%0.204CC..Hα-helixtrans-81.3-43172.4-60.3175000111V121 V122 I126 Q127 W132 F170 I174V121-L124 WeakPolarHBondContact O-CB 3.33Å; V121-L124 PolarHBondContact O-N 3.3Å; V122-L124 VanDerWaalsContact C-N 3.26Å; V122-L124 PolarHBondContact O-N 2.83Å; L124-I126 PolarHBondContact O-N 2.85Å; L124-Q127 PolarHBondContact O-N 3.31Å; L124-W132 HydrophobicContact CB-CZ2 4.05Å; L124-W132 HydrophobicContact CD2-CH2 4.43Å; L124-W132 HydrophobicContact CD2-CZ2 4.21Å; L124-W132 PolarHBondContact O-NE1 3.06Å; L124-F170 HydrophobicContact CD1-CE1 4.4Å; L124-F170 HydrophobicContact CD2-CD1 4.28Å; L124-F170 HydrophobicContact CD2-CE1 3.61Å; L124-F170 HydrophobicContact CD2-CE2 4.22Å; L124-F170 HydrophobicContact CD2-CZ 3.58Å; L124-F170 HydrophobicContact CG-CD1 4.31Å; L124-F170 HydrophobicContact CG-CE1 3.71Å; L124-F170 HydrophobicContact CG-CZ 4.18Å; L124-I174 HydrophobicContact CD1-CD1 3.78Å
125L83.7Confident91.3Very high71 Ų7142.5 Ų42.537%0.37221%0.211SC..Hα-helixtrans-68.6-31.9-174.3-69-178.4000114.5V121 V122 Q127 T243 I308V121-L125 HydrophobicContact CG1-CD1 3.82Å; V121-L125 HydrophobicContact CG1-CG 3.94Å; V121-L125 PolarHBondContact O-N 3.42Å; V122-L125 PolarHBondContact O-N 3.38Å; L125-Q127 PolarHBondContact O-N 2.79Å; L125-T243 HydrophobicContact CD2-CG2 4.06Å; L125-I308 HydrophobicContact CD1-CB 4.25Å; L125-I308 HydrophobicContact CD1-CG2 3.39Å; L125-I308 WeakPolarHBondContact CD1-O 3.27Å
126I81.5Confident91.3Very high84 Ų8442.5 Ų42.543%0.43121%0.211SC..THydrogen-bonded Turntrans-69.7-9.4178-160.4152.9000112.9V122 L124 D128 A340V122-I126 WeakPolarHBondContact O-CG2 3.49Å; V122-I126 PolarHBondContact O-N 3.47Å; L124-I126 PolarHBondContact O-N 2.85Å; I126-D128 HydrophobicContact CG2-CB 3.88Å; I126-D128 PolarHBondContact O-N 3.46Å; I126-D128 VanDerWaalsContact O-N 3.13Å; I126-A340 HydrophobicContact CD1-CB 3.81Å; I126-A340 VanDerWaalsContact CG2-O 3.23Å; I126-A340 WeakPolarHBondContact CG2-O 3.23Å
127Q82.3Confident91.3Very high147 Ų14743.2 Ų43.269%0.68722%0.215SC*.  trans56.626.1178.5-58.5-177.88.900114.6L124 L125 Q129L124-Q127 PolarHBondContact O-N 3.31Å; L125-Q127 PolarHBondContact O-N 2.79Å; Q127-Q129 PolarHBondContact O-N 3.39Å
128D85.8Confident91.3Very high26 Ų2645.5 Ų45.514%0.13923%0.225CC..  trans-67120.9171.3-175.6-34.9000108.9I126 T130 W131 W132 S341 M342I126-D128 HydrophobicContact CG2-CB 3.88Å; I126-D128 PolarHBondContact O-N 3.46Å; I126-D128 VanDerWaalsContact O-N 3.13Å; D128-T130 PolarHBondContact O-N 3.14Å; D128-T130 VanDerWaalsContact O-N 3.15Å; D128-T130 WeakPolarHBondContact OD1-CB 3.4Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.45Å; D128-T130 PolarHBondContact OD1-N 2.83Å; D128-T130 PolarHBondContact OD1-OG1 3.24Å; D128-W131 PolarHBondContact O-N 3.29Å; D128-W131 VanDerWaalsContact O-N 3.12Å; D128-W132 PolarHBondContact O-N 2.62Å; D128-S341 PolarHBondContact OD2-OG 3.28Å; D128-M342 WeakPolarHBondContact OD2-CB 3.37Å; D128-M342 PolarHBondContact OD2-N 3.19Å
129Q91.8Very high91.5Very high130 Ų13048.8 Ų48.861%0.60724%0.237SC*.Hα-helixtrans-57.2-32.9-175.8-71.8-60.8-33.200112.4Q127 W131 W132 T133Q127-Q129 PolarHBondContact O-N 3.39Å; Q129-W131 PolarHBondContact O-N 3.13Å; Q129-W132 PolarHBondContact O-N 3.11Å; Q129-W132 VanDerWaalsContact O-N 3.13Å; Q129-T133 WeakPolarHBondContact O-CB 3.39Å; Q129-T133 WeakPolarHBondContact O-CG2 3.14Å; Q129-T133 PolarHBondContact O-N 3.12Å; Q129-T133 PolarHBondContact O-OG1 3.19Å
130T93.8Very high91.6Very high12 Ų1249.3 Ų49.37%0.07424%0.238CC..Hα-helixtrans-62.5-30.6-178.463.70000113D128 L134 T135 A136 Y139 M342 V345D128-T130 PolarHBondContact O-N 3.14Å; D128-T130 VanDerWaalsContact O-N 3.15Å; D128-T130 WeakPolarHBondContact OD1-CB 3.4Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.45Å; D128-T130 PolarHBondContact OD1-N 2.83Å; D128-T130 PolarHBondContact OD1-OG1 3.24Å; T130-L134 CarbonylContact O-C 3.53Å; T130-L134 PolarHBondContact O-N 2.83Å; T130-T135 CarbonylContact O-C 3.36Å; T130-T135 PolarHBondContact O-N 2.94Å; T130-A136 PolarHBondContact O-N 3.31Å; T130-Y139 HydrophobicContact CG2-CD2 3.96Å; T130-Y139 HydrophobicContact CG2-CE2 3.83Å; T130-M342 HydrophobicContact CG2-CB 4.35Å; T130-M342 HydrophobicContact CG2-CG 4.48Å; T130-M342 WeakPolarHBondContact OG1-CB 3.49Å; T130-V345 HydrophobicContact CG2-CG2 3.95Å
131W93.7Very high91.7Very high13 Ų1350.2 Ų50.25%0.04924%0.242CC..Hα-helixtrans-75.1-45.2173.7-71.2125.8000111.6K123 D128 Q129 L134 A136 V166 F170 F339 A340 M342K123-W131 HydrophobicContact CB-CD2 3.94Å; K123-W131 HydrophobicContact CB-CE3 4.49Å; K123-W131 HydrophobicContact CB-CG 3.96Å; K123-W131 HydrophobicContact CD-CD2 4.11Å; K123-W131 HydrophobicContact CD-CE3 4.12Å; K123-W131 HydrophobicContact CD-CH2 3.68Å; K123-W131 HydrophobicContact CD-CZ2 3.59Å; K123-W131 HydrophobicContact CD-CZ3 3.92Å; K123-W131 VanDerWaalsContact CE-CH2 3.49Å; K123-W131 VanDerWaalsContact CE-CZ2 3.42Å; K123-W131 HydrophobicContact CG-CD2 4.15Å; K123-W131 HydrophobicContact CG-CH2 4.5Å; K123-W131 HydrophobicContact CG-CZ2 3.94Å; K123-W131 VanDerWaalsContact O-CD1 3.29Å; D128-W131 PolarHBondContact O-N 3.29Å; D128-W131 VanDerWaalsContact O-N 3.12Å; Q129-W131 PolarHBondContact O-N 3.13Å; W131-L134 PolarHBondContact O-N 3.17Å; W131-L134 VanDerWaalsContact O-N 3.16Å; W131-A136 HydrophobicContact CD2-CB 3.7Å; W131-A136 HydrophobicContact CE3-CB 3.23Å; W131-A136 HydrophobicContact CH2-CB 3.76Å; W131-A136 HydrophobicContact CZ2-CB 4.19Å; W131-A136 HydrophobicContact CZ3-CB 3.27Å; W131-V166 HydrophobicContact CE3-CG1 4Å; W131-V166 HydrophobicContact CZ3-CG1 4.24Å; W131-F170 HydrophobicContact CB-CZ 4.11Å; W131-F170 HydrophobicContact CD2-CZ 4.43Å; W131-F170 HydrophobicContact CE3-CE2 4.3Å; W131-F170 HydrophobicContact CE3-CZ 4.01Å; W131-F170 HydrophobicContact CG-CZ 4.48Å; W131-F339 WeakPolarHBondContact CZ2-O 3.4Å; W131-A340 VanDerWaalsContact CD1-O 3.25Å; W131-A340 PolarHBondContact NE1-O 3.45Å; W131-M342 HydrophobicContact CH2-CE 3.66Å; W131-M342 HydrophobicContact CZ2-CE 3.31Å; W131-M342 HydrophobicContact CZ3-CE 4.45Å
132W92.6Very high91.8Very high143 Ų14350.4 Ų50.454%0.54224%0.243SC..Hα-helixtrans-68.4-33.8-178.3-77.898.3000113.5L124 D128 Q129 L134L124-W132 HydrophobicContact CB-CZ2 4.05Å; L124-W132 HydrophobicContact CD2-CH2 4.43Å; L124-W132 HydrophobicContact CD2-CZ2 4.21Å; L124-W132 PolarHBondContact O-NE1 3.06Å; D128-W132 PolarHBondContact O-N 2.62Å; Q129-W132 PolarHBondContact O-N 3.11Å; Q129-W132 VanDerWaalsContact O-N 3.13Å; W132-L134 VanDerWaalsContact C-N 3.27Å; W132-L134 PolarHBondContact O-N 3.23Å
133T95.3Very high92.2Very high70 Ų7049 Ų4943%0.42924%0.235SC..THydrogen-bonded Turntrans-86.54.9174.261.40000113.2Q129 T135Q129-T133 WeakPolarHBondContact O-CB 3.39Å; Q129-T133 WeakPolarHBondContact O-CG2 3.14Å; Q129-T133 PolarHBondContact O-N 3.12Å; Q129-T133 PolarHBondContact O-OG1 3.19Å; T133-T135 PolarHBondContact O-N 3.39Å; T133-T135 VanDerWaalsContact O-N 3.13Å; T133-T135 PolarHBondContact OG1-OG1 3.13Å
134L97Very high92.4Very high58 Ų5848.3 Ų48.330%0.30423%0.232SC..THydrogen-bonded Turntrans58.618.6-176.6-51.5177.3000114.4T130 W131 W132 Q163 V166 A167 F170T130-L134 CarbonylContact O-C 3.53Å; T130-L134 PolarHBondContact O-N 2.83Å; W131-L134 PolarHBondContact O-N 3.17Å; W131-L134 VanDerWaalsContact O-N 3.16Å; W132-L134 VanDerWaalsContact C-N 3.27Å; W132-L134 PolarHBondContact O-N 3.23Å; L134-Q163 HydrophobicContact CB-CB 4.15Å; L134-Q163 HydrophobicContact CB-CG 4.24Å; L134-Q163 WeakPolarHBondContact O-CA 3.47Å; L134-Q163 WeakPolarHBondContact O-CG 3.37Å; L134-V166 HydrophobicContact CB-CB 4.25Å; L134-V166 HydrophobicContact CB-CG1 4.3Å; L134-V166 HydrophobicContact CD2-CB 4.31Å; L134-V166 HydrophobicContact CD2-CG1 3.78Å; L134-V166 WeakPolarHBondContact O-CG2 3.47Å; L134-A167 HydrophobicContact CD1-CB 4.33Å; L134-F170 HydrophobicContact CD2-CD2 4.41Å; L134-F170 HydrophobicContact CD2-CE2 4.34Å
135T96.6Very high92.6Very high29 Ų2946.8 Ų46.818%0.17822%0.223CC..  trans-94.33-178.957.70000114T130 T133 L137 H138 Y139T130-T135 CarbonylContact O-C 3.36Å; T130-T135 PolarHBondContact O-N 2.94Å; T133-T135 PolarHBondContact O-N 3.39Å; T133-T135 VanDerWaalsContact O-N 3.13Å; T133-T135 PolarHBondContact OG1-OG1 3.13Å; T135-L137 VanDerWaalsContact C-N 3.28Å; T135-L137 PolarHBondContact O-N 3.16Å; T135-H138 WeakPolarHBondContact O-CB 3.26Å; T135-H138 PolarHBondContact O-CD2 3.28Å; T135-H138 PolarHBondContact O-N 2.9Å; T135-Y139 WeakPolarHBondContact O-CD2 3.37Å
136A96.2Very high93.1Very high0 Ų043.4 Ų43.40%021%0.206CC..Hα-helixtrans-47.4-45.6-179.400000113.9T130 W131 H138 Y139 H140 V166 M342T130-A136 PolarHBondContact O-N 3.31Å; W131-A136 HydrophobicContact CD2-CB 3.7Å; W131-A136 HydrophobicContact CE3-CB 3.23Å; W131-A136 HydrophobicContact CH2-CB 3.76Å; W131-A136 HydrophobicContact CZ2-CB 4.19Å; W131-A136 HydrophobicContact CZ3-CB 3.27Å; A136-H138 PolarHBondContact O-N 3.02Å; A136-Y139 PolarHBondContact O-N 3.48Å; A136-Y139 VanDerWaalsContact O-N 3.08Å; A136-H140 WeakPolarHBondContact O-CB 3.43Å; A136-H140 PolarHBondContact O-N 2.81Å; A136-V166 HydrophobicContact CB-CG1 4.47Å; A136-V166 HydrophobicContact CB-CG2 4Å; A136-M342 HydrophobicContact CB-CE 3.52Å
137L96.5Very high93.9Very high19 Ų1939.5 Ų39.510%0.09919%0.186CC..Hα-helixtrans-72.9-6.6179.2-70.4-179.5000114.5T135 Y139 H140 F141 K162 V166T135-L137 VanDerWaalsContact C-N 3.28Å; T135-L137 PolarHBondContact O-N 3.16Å; L137-Y139 PolarHBondContact O-N 2.77Å; L137-H140 HydrophobicContact CD2-CB 3.79Å; L137-F141 HydrophobicContact CB-CE2 4.03Å; L137-F141 HydrophobicContact CB-CZ 4.47Å; L137-F141 HydrophobicContact CD1-CZ 4.39Å; L137-F141 HydrophobicContact CD2-CE1 4.47Å; L137-F141 HydrophobicContact CD2-CE2 4.43Å; L137-F141 HydrophobicContact CD2-CZ 4.16Å; L137-F141 WeakPolarHBondContact O-CD2 3.36Å; L137-F141 WeakPolarHBondContact O-CE2 3.33Å; L137-K162 HydrophobicContact CB-CB 4.1Å; L137-V166 HydrophobicContact CB-CG2 3.95Å; L137-V166 HydrophobicContact CD1-CG2 3.91Å; L137-V166 HydrophobicContact CG-CG2 3.61Å
138H95.8Very high94.6Very high53 Ų5332.6 Ų32.625%0.24515%0.154CC..Hα-helixtrans-69.5-25.9167.6-67.2-116.5000111.6T135 A136 H155T135-H138 WeakPolarHBondContact O-CB 3.26Å; T135-H138 PolarHBondContact O-CD2 3.28Å; T135-H138 PolarHBondContact O-N 2.9Å; A136-H138 PolarHBondContact O-N 3.02Å; H138-H155 PolarHBondContact O-CE1 3.07Å; H138-H155 PolarHBondContact O-ND1 3.19Å
139Y95.2Very high95.1Very high78 Ų7831.7 Ų31.731%0.30615%0.149SC..Hα-helixtrans-109.7-34.2-179.1-51.4-76.5000111.8T130 T135 A136 L137 F141 N142 S143 M342 V345T130-Y139 HydrophobicContact CG2-CD2 3.96Å; T130-Y139 HydrophobicContact CG2-CE2 3.83Å; T135-Y139 WeakPolarHBondContact O-CD2 3.37Å; A136-Y139 PolarHBondContact O-N 3.48Å; A136-Y139 VanDerWaalsContact O-N 3.08Å; L137-Y139 PolarHBondContact O-N 2.77Å; Y139-F141 PolarHBondContact O-N 3.35Å; Y139-N142 PolarHBondContact O-N 3.01Å; Y139-N142 PolarHBondContact O-OD1 3.01Å; Y139-S143 WeakPolarHBondContact O-CB 3.5Å; Y139-S143 PolarHBondContact O-N 2.76Å; Y139-S143 PolarHBondContact O-OG 2.99Å; Y139-M342 HydrophobicContact CD2-CG 4.47Å; Y139-V345 HydrophobicContact CD2-CG2 4.48Å; Y139-V345 HydrophobicContact CE1-CG1 4.49Å; Y139-V345 HydrophobicContact CG-CG2 4.43Å
140H95.7Very high95.4Very high22 Ų2229 Ų2910%0.10214%0.139CC..Hα-helixtrans-56.4-47.5-169.3-17353.4000112.8A136 L137 N142 S143 Q144 Y208 M342A136-H140 WeakPolarHBondContact O-CB 3.43Å; A136-H140 PolarHBondContact O-N 2.81Å; L137-H140 HydrophobicContact CD2-CB 3.79Å; H140-N142 VanDerWaalsContact C-N 3.27Å; H140-N142 PolarHBondContact O-N 3.24Å; H140-N142 VanDerWaalsContact O-N 3.13Å; H140-S143 VanDerWaalsContact CA-OG 3.28Å; H140-S143 WeakPolarHBondContact CA-OG 3.24Å; H140-S143 PolarHBondContact O-N 3.42Å; H140-S143 VanDerWaalsContact O-N 3.09Å; H140-S143 PolarHBondContact O-OG 3.23Å; H140-S143 VanDerWaalsContact O-OG 3.1Å; H140-Q144 PolarHBondContact CD2-NE2 2.82Å; H140-Q144 VanDerWaalsContact CD2-NE2 3.29Å; H140-Q144 PolarHBondContact NE2-NE2 3.49Å; H140-Q144 WeakPolarHBondContact O-CG 3.11Å; H140-Q144 PolarHBondContact O-N 3.03Å; H140-Y208 PolarHBondContact NE2-OH 3.38Å; H140-M342 HydrophobicContact CB-CE 4.09Å; H140-M342 HydrophobicContact CB-SD 3.87Å
141F95.8Very high95.5Very high19 Ų1928.5 Ų28.58%0.08314%0.135CC..Hα-helixtrans-56.6-34.2-174-66.7-58.5000114.6L137 Y139 A151 A154 H155 K162 T205 F447L137-F141 HydrophobicContact CB-CE2 4.03Å; L137-F141 HydrophobicContact CB-CZ 4.47Å; L137-F141 HydrophobicContact CD1-CZ 4.39Å; L137-F141 HydrophobicContact CD2-CE1 4.47Å; L137-F141 HydrophobicContact CD2-CE2 4.43Å; L137-F141 HydrophobicContact CD2-CZ 4.16Å; L137-F141 WeakPolarHBondContact O-CD2 3.36Å; L137-F141 WeakPolarHBondContact O-CE2 3.33Å; Y139-F141 PolarHBondContact O-N 3.35Å; F141-A151 HydrophobicContact CB-CB 4.45Å; F141-A154 HydrophobicContact CD1-CB 3.89Å; F141-A154 HydrophobicContact CD2-CB 4.24Å; F141-A154 HydrophobicContact CE1-CB 3.64Å; F141-A154 HydrophobicContact CE2-CB 3.99Å; F141-A154 HydrophobicContact CG-CB 4.2Å; F141-A154 HydrophobicContact CZ-CB 3.69Å; F141-H155 HydrophobicContact CB-CB 3.91Å; F141-H155 HydrophobicContact CD2-CB 4.3Å; F141-H155 HydrophobicContact CG-CB 4.44Å; F141-K162 HydrophobicContact CE2-CG 4.43Å; F141-T205 HydrophobicContact CD1-CG2 4.4Å; F141-T205 HydrophobicContact CE1-CG2 4.02Å; F141-F447 HydrophobicContact CB-CE2 4.32Å; F141-F447 VanDerWaalsContact O-CE2 3.3Å; F141-F447 WeakPolarHBondContact O-CE2 3.32Å
142N93.7Very high95.7Very high5 Ų528.7 Ų28.73%0.02714%0.136CC..Hα-helixtrans-92.6-23.2178.97516.5000113Y139 H140 R348 F447 W458Y139-N142 PolarHBondContact O-N 3.01Å; Y139-N142 PolarHBondContact O-OD1 3.01Å; H140-N142 VanDerWaalsContact C-N 3.27Å; H140-N142 PolarHBondContact O-N 3.24Å; H140-N142 VanDerWaalsContact O-N 3.13Å; N142-R348 PolarHBondContact O-NH1 3.24Å; N142-F447 HydrophobicContact CB-CD2 3.42Å; N142-F447 VanDerWaalsContact CB-CD2 3.42Å; N142-F447 HydrophobicContact CB-CE2 3.66Å; N142-F447 HydrophobicContact CB-CG 3.88Å; N142-F447 HydrophobicContact CB-CZ 4.31Å; N142-W458 HydrophobicContact CB-CZ3 4.2Å
143S94.4Very high95.9Very high0 Ų026.9 Ų26.90%013%0.13CC..Hα-helixtrans-88.5-16.7-176.357.50000114.1Y139 H140 T343 W394Y139-S143 WeakPolarHBondContact O-CB 3.5Å; Y139-S143 PolarHBondContact O-N 2.76Å; Y139-S143 PolarHBondContact O-OG 2.99Å; H140-S143 VanDerWaalsContact CA-OG 3.28Å; H140-S143 WeakPolarHBondContact CA-OG 3.24Å; H140-S143 PolarHBondContact O-N 3.42Å; H140-S143 VanDerWaalsContact O-N 3.09Å; H140-S143 PolarHBondContact O-OG 3.23Å; H140-S143 VanDerWaalsContact O-OG 3.1Å; S143-T343 WeakPolarHBondContact CB-O 3.3Å; S143-T343 PolarHBondContact OG-O 3.49Å; S143-W394 PolarHBondContact O-NE1 2.86Å
144Q93.2Very high96Very high2 Ų224 Ų241%0.00911%0.114CC..SBendtrans-53.7146176.2-37.5-173.8-49.500111.5H140 I146 T205 G206 Y208 R348H140-Q144 PolarHBondContact CD2-NE2 2.82Å; H140-Q144 VanDerWaalsContact CD2-NE2 3.29Å; H140-Q144 PolarHBondContact NE2-NE2 3.49Å; H140-Q144 WeakPolarHBondContact O-CG 3.11Å; H140-Q144 PolarHBondContact O-N 3.03Å; Q144-I146 PolarHBondContact O-N 2.98Å; Q144-T205 PolarHBondContact OE1-O 2.88Å; Q144-G206 VanDerWaalsContact OE1-CA 3.23Å; Q144-Y208 PolarHBondContact NE2-OH 3.14Å; Q144-R348 PolarHBondContact O-NH1 3.43Å
145C93.1Very high95.9Very high1 Ų122.7 Ų22.71%0.00711%0.106CC..SBendtrans-49.1-54.9-176.9-175.80000114.8R348 W391 W394C145-R348 PolarHBondContact O-NH1 2.91Å; C145-R348 PolarHBondContact O-NH2 3.36Å; C145-W391 HydrophobicContact CB-CD2 3.7Å; C145-W391 HydrophobicContact CB-CE3 3.55Å; C145-W391 HydrophobicContact CB-CG 4.49Å; C145-W391 HydrophobicContact CB-CH2 3.78Å; C145-W391 HydrophobicContact CB-CZ2 3.87Å; C145-W391 HydrophobicContact CB-CZ3 3.61Å; C145-W391 VanDerWaalsContact SG-CA 3.51Å; C145-W391 VanDerWaalsContact SG-CG 3.56Å; C145-W394 HydrophobicContact CB-CB 4.14Å; C145-W394 HydrophobicContact CB-CD2 4Å; C145-W394 HydrophobicContact CB-CG 3.82Å; C145-W394 WeakPolarHBondContact SG-CB 3.35Å
146I96Very high95.9Very high1 Ų123.2 Ų23.21%0.00511%0.106CC..SBendtrans-133.888.3-180-50.9-179.3000108.2Q144 N207 P380 P387 D390Q144-I146 PolarHBondContact O-N 2.98Å; I146-N207 HydrophobicContact CB-CB 4.18Å; I146-N207 HydrophobicContact CG2-CB 4.24Å; I146-N207 PolarHBondContact O-N 3.44Å; I146-N207 PolarHBondContact O-ND2 2.9Å; I146-P380 HydrophobicContact CG2-CG 4.06Å; I146-P387 HydrophobicContact CD1-CB 3.63Å; I146-P387 HydrophobicContact CD1-CG 3.63Å; I146-D390 HydrophobicContact CD1-CB 3.99Å
147P97.1Very high95.9Very high1 Ų126.8 Ų26.81%0.00613%0.125CC..BIsolated β-bridgetrans-67.1155.4178.526.2-29.4000110.8A151 P379 F447 W458P147-A151 HydrophobicContact CB-CB 3.55Å; P147-P379 HydrophobicContact CG-CB 4.23Å; P147-P379 HydrophobicContact CG-CG 4.46Å; P147-P379 WeakPolarHBondContact O-CB 3.18Å; P147-F447 HydrophobicContact CB-CZ 3.97Å; P147-F447 HydrophobicContact CG-CE1 4.49Å; P147-F447 HydrophobicContact CG-CZ 4.01Å; P147-W458 HydrophobicContact CG-CH2 3.75Å; P147-W458 HydrophobicContact CG-CZ2 3.78Å
148T97.1Very high96Very high3 Ų329.1 Ų29.12%0.01814%0.141CC..  trans-88.6170.4168.772.70000109.9L150 A151 L204 T205 I381T148-L150 PolarHBondContact O-N 3.47Å; T148-L150 PolarHBondContact OG1-N 3.46Å; T148-A151 WeakPolarHBondContact O-CB 3.42Å; T148-A151 PolarHBondContact O-N 2.88Å; T148-L204 WeakPolarHBondContact CB-O 3.27Å; T148-L204 PolarHBondContact OG1-O 3.42Å; T148-T205 PolarHBondContact N-O 3.1Å; T148-T205 VanDerWaalsContact OG1-C 3.3Å; T148-T205 VanDerWaalsContact OG1-CA 3.32Å; T148-T205 WeakPolarHBondContact OG1-CA 3.26Å; T148-T205 PolarHBondContact OG1-O 2.92Å; T148-I381 HydrophobicContact CG2-CG1 4.46Å
149P96.7Very high96Very high7 Ų727.9 Ų27.95%0.04514%0.143CC..Hα-helixtrans-55-33.2170-27.335.6000113.7A151 W152 Y153 R378 P379 I381 W457P149-A151 PolarHBondContact O-N 3.28Å; P149-W152 PolarHBondContact O-N 2.82Å; P149-Y153 WeakPolarHBondContact O-CD2 3.48Å; P149-R378 VanDerWaalsContact CB-NH2 3.3Å; P149-R378 HydrophobicContact CG-CG 4.13Å; P149-P379 VanDerWaalsContact CD-O 3.24Å; P149-P379 WeakPolarHBondContact CD-O 3.48Å; P149-P379 WeakPolarHBondContact CG-O 3.43Å; P149-I381 HydrophobicContact CG-CG1 4.37Å; P149-W457 HydrophobicContact CB-CH2 4.41Å; P149-W457 HydrophobicContact CB-CZ3 4.45Å
150L97.2Very high96.1Very high74 Ų7431 Ų3139%0.38716%0.158SC..Hα-helixtrans-69.1-24.5-179.5-171.562.7000112T148 W152 Y153 A154 L204 T205T148-L150 PolarHBondContact O-N 3.47Å; T148-L150 PolarHBondContact OG1-N 3.46Å; L150-W152 PolarHBondContact O-N 3.29Å; L150-Y153 HydrophobicContact CD1-CD2 4.44Å; L150-Y153 PolarHBondContact O-N 2.92Å; L150-A154 WeakPolarHBondContact O-CB 3.27Å; L150-A154 PolarHBondContact O-N 3.36Å; L150-L204 WeakPolarHBondContact CB-O 3.46Å; L150-L204 HydrophobicContact CD2-CB 3.87Å; L150-T205 HydrophobicContact CD2-CG2 4.46Å; L150-T205 HydrophobicContact CG-CG2 4.39Å
151A97.6Very high96.2Very high0 Ų032 Ų320%017%0.165CC..Hα-helixtrans-56.7-40.2172.800000112.1F141 P147 T148 P149 A154 H155 T205 F447F141-A151 HydrophobicContact CB-CB 4.45Å; P147-A151 HydrophobicContact CB-CB 3.55Å; T148-A151 WeakPolarHBondContact O-CB 3.42Å; T148-A151 PolarHBondContact O-N 2.88Å; P149-A151 PolarHBondContact O-N 3.28Å; A151-A154 PolarHBondContact O-N 3.46Å; A151-H155 VanDerWaalsContact O-CB 3.24Å; A151-H155 WeakPolarHBondContact O-CB 3.49Å; A151-H155 PolarHBondContact O-N 2.86Å; A151-T205 VanDerWaalsContact CB-O 3.23Å; A151-T205 WeakPolarHBondContact CB-O 3.42Å; A151-F447 HydrophobicContact CB-CE2 3.96Å; A151-F447 HydrophobicContact CB-CZ 3.91Å
152W96.7Very high96.3Very high18 Ų1832 Ų327%0.06817%0.166CC..Hα-helixtrans-62.6-49.2178.3-175.798.2000110.1P149 L150 A154 H155 Q156 F447 T448 W450 W457P149-W152 PolarHBondContact O-N 2.82Å; L150-W152 PolarHBondContact O-N 3.29Å; W152-A154 PolarHBondContact O-N 2.87Å; W152-H155 WeakPolarHBondContact O-CA 3.38Å; W152-H155 VanDerWaalsContact O-CB 3.3Å; W152-H155 WeakPolarHBondContact O-CB 3.04Å; W152-H155 PolarHBondContact O-N 3.14Å; W152-H155 VanDerWaalsContact O-N 3.14Å; W152-Q156 HydrophobicContact CD2-CG 4.33Å; W152-Q156 HydrophobicContact CE3-CG 3.99Å; W152-Q156 HydrophobicContact CH2-CG 3.93Å; W152-Q156 HydrophobicContact CZ2-CG 4.29Å; W152-Q156 HydrophobicContact CZ3-CG 3.78Å; W152-Q156 WeakPolarHBondContact O-CG 3.42Å; W152-Q156 PolarHBondContact O-N 3.38Å; W152-Q156 VanDerWaalsContact O-N 3.15Å; W152-F447 HydrophobicContact CB-CD1 4.36Å; W152-F447 HydrophobicContact CB-CD2 4.45Å; W152-F447 HydrophobicContact CB-CE1 4.27Å; W152-F447 HydrophobicContact CB-CE2 4.39Å; W152-F447 HydrophobicContact CB-CG 4.45Å; W152-F447 HydrophobicContact CB-CZ 4.32Å; W152-F447 AromaticContact CD1-CD1 3.57Å; W152-F447 AromaticContact CD1-CG 3.65Å; W152-F447 HydrophobicContact CG-CD1 4.35Å; W152-F447 HydrophobicContact CG-CG 4.34Å; W152-T448 PolarHBondContact NE1-O 3.42Å; W152-T448 VanDerWaalsContact NE1-O 3.13Å; W152-T448 PolarHBondContact NE1-OG1 3.16Å; W152-W450 AromaticContact CH2-CD2 3.64Å; W152-W450 HydrophobicContact CH2-CD2 3.64Å; W152-W450 AromaticContact CH2-CE2 3.9Å; W152-W450 AromaticContact CH2-CE3 3.63Å; W152-W450 HydrophobicContact CH2-CE3 3.63Å; W152-W450 HydrophobicContact CH2-CG 4.23Å; W152-W450 HydrophobicContact CH2-CH2 4.18Å; W152-W450 HydrophobicContact CH2-CZ2 4.17Å; W152-W450 AromaticContact CH2-CZ3 3.91Å; W152-W450 HydrophobicContact CH2-CZ3 3.91Å; W152-W450 HydrophobicContact CZ3-CD2 4.08Å; W152-W450 AromaticContact CZ3-CE2 3.91Å; W152-W450 HydrophobicContact CZ3-CE3 4.02Å; W152-W450 AromaticContact CZ3-CH2 3.69Å; W152-W450 HydrophobicContact CZ3-CH2 3.69Å; W152-W450 AromaticContact CZ3-CZ2 3.72Å; W152-W450 HydrophobicContact CZ3-CZ2 3.72Å; W152-W450 AromaticContact CZ3-CZ3 3.83Å; W152-W450 HydrophobicContact CZ3-CZ3 3.83Å; W152-W457 HydrophobicContact CB-CE3 3.9Å; W152-W457 HydrophobicContact CB-CZ3 3.76Å; W152-W457 AromaticContact CD1-CE3 3.94Å; W152-W457 HydrophobicContact CD2-CE3 4.47Å; W152-W457 HydrophobicContact CD2-CZ3 4.32Å; W152-W457 AromaticContact CG-CE3 3.84Å; W152-W457 HydrophobicContact CG-CE3 3.84Å; W152-W457 AromaticContact CG-CZ3 3.92Å; W152-W457 HydrophobicContact CG-CZ3 3.92Å
153Y96.6Very high96.6Very high104 Ų10435.5 Ų35.541%0.40818%0.182SC..Hα-helixtrans-64.7-40.3177.5-62.2-75.2000112.4P149 L150 H155 Q156 W450 W457P149-Y153 WeakPolarHBondContact O-CD2 3.48Å; L150-Y153 HydrophobicContact CD1-CD2 4.44Å; L150-Y153 PolarHBondContact O-N 2.92Å; Y153-H155 VanDerWaalsContact C-N 3.25Å; Y153-H155 PolarHBondContact O-N 3.21Å; Y153-Q156 WeakPolarHBondContact O-CB 3.42Å; Y153-Q156 PolarHBondContact O-N 2.61Å; Y153-W450 AromaticContact CD1-CH2 3.69Å; Y153-W450 HydrophobicContact CD1-CH2 3.69Å; Y153-W450 AromaticContact CD1-CZ2 3.96Å; Y153-W450 HydrophobicContact CD1-CZ2 3.96Å; Y153-W450 AromaticContact CE1-CH2 3.61Å; Y153-W450 HydrophobicContact CE1-CH2 3.61Å; Y153-W450 HydrophobicContact CE1-CZ2 4.34Å; Y153-W450 HydrophobicContact CE1-CZ3 4.27Å; Y153-W457 HydrophobicContact CE2-CH2 4.42Å
154A97.2Very high96.7Very high11 Ų1142.5 Ų42.59%0.09121%0.212CC..Hα-helixtrans-63.2-34.1174.600000111.7F141 L150 A151 W152 Q156 L157 T205F141-A154 HydrophobicContact CD1-CB 3.89Å; F141-A154 HydrophobicContact CD2-CB 4.24Å; F141-A154 HydrophobicContact CE1-CB 3.64Å; F141-A154 HydrophobicContact CE2-CB 3.99Å; F141-A154 HydrophobicContact CG-CB 4.2Å; F141-A154 HydrophobicContact CZ-CB 3.69Å; L150-A154 WeakPolarHBondContact O-CB 3.27Å; L150-A154 PolarHBondContact O-N 3.36Å; A151-A154 PolarHBondContact O-N 3.46Å; W152-A154 PolarHBondContact O-N 2.87Å; A154-Q156 VanDerWaalsContact C-N 3.25Å; A154-Q156 PolarHBondContact O-N 3.22Å; A154-L157 HydrophobicContact CB-CD1 4.47Å; A154-L157 WeakPolarHBondContact O-CB 3.45Å; A154-L157 WeakPolarHBondContact O-CG 3.43Å; A154-L157 PolarHBondContact O-N 3.21Å; A154-T205 HydrophobicContact CB-CG2 4.11Å
155H96.3Very high97Very high29 Ų2944.3 Ų44.313%0.13423%0.226CC..Hα-helixtrans-67.4-24172.3-171.578.2000112.8H138 F141 A151 W152 Y153 L157 K162 F447H138-H155 PolarHBondContact O-CE1 3.07Å; H138-H155 PolarHBondContact O-ND1 3.19Å; F141-H155 HydrophobicContact CB-CB 3.91Å; F141-H155 HydrophobicContact CD2-CB 4.3Å; F141-H155 HydrophobicContact CG-CB 4.44Å; A151-H155 VanDerWaalsContact O-CB 3.24Å; A151-H155 WeakPolarHBondContact O-CB 3.49Å; A151-H155 PolarHBondContact O-N 2.86Å; W152-H155 WeakPolarHBondContact O-CA 3.38Å; W152-H155 VanDerWaalsContact O-CB 3.3Å; W152-H155 WeakPolarHBondContact O-CB 3.04Å; W152-H155 PolarHBondContact O-N 3.14Å; W152-H155 VanDerWaalsContact O-N 3.14Å; Y153-H155 VanDerWaalsContact C-N 3.25Å; Y153-H155 PolarHBondContact O-N 3.21Å; H155-L157 VanDerWaalsContact C-N 3.33Å; H155-K162 WeakPolarHBondContact O-CE 3.38Å; H155-K162 PolarHBondContact O-NZ 3.36Å; H155-F447 HydrophobicContact CB-CD2 3.67Å; H155-F447 HydrophobicContact CB-CE2 4.21Å; H155-F447 AromaticContact CD2-CD2 3.98Å; H155-F447 AromaticContact CG-CD2 3.75Å
156Q96.1Very high97.2Very high41 Ų4144.3 Ų44.319%0.19223%0.225CC..THydrogen-bonded Turntrans-81.7-8174.6-53.5-50.5-36.500113.9W152 Y153 A154 T448 W450W152-Q156 HydrophobicContact CD2-CG 4.33Å; W152-Q156 HydrophobicContact CE3-CG 3.99Å; W152-Q156 HydrophobicContact CH2-CG 3.93Å; W152-Q156 HydrophobicContact CZ2-CG 4.29Å; W152-Q156 HydrophobicContact CZ3-CG 3.78Å; W152-Q156 WeakPolarHBondContact O-CG 3.42Å; W152-Q156 PolarHBondContact O-N 3.38Å; W152-Q156 VanDerWaalsContact O-N 3.15Å; Y153-Q156 WeakPolarHBondContact O-CB 3.42Å; Y153-Q156 PolarHBondContact O-N 2.61Å; A154-Q156 VanDerWaalsContact C-N 3.25Å; A154-Q156 PolarHBondContact O-N 3.22Å; Q156-T448 PolarHBondContact NE2-O 3.25Å; Q156-W450 HydrophobicContact CB-CZ2 4.47Å; Q156-W450 VanDerWaalsContact CB-NE1 3.33Å; Q156-W450 HydrophobicContact CG-CZ2 4.34Å
157L96.8Very high97.3Very high75 Ų7546 Ų4639%0.39324%0.239SC..SBendtrans-61149.4-179.4-70.5170.5000112.1A154 H155 V161 K162A154-L157 HydrophobicContact CB-CD1 4.47Å; A154-L157 WeakPolarHBondContact O-CB 3.45Å; A154-L157 WeakPolarHBondContact O-CG 3.43Å; A154-L157 PolarHBondContact O-N 3.21Å; H155-L157 VanDerWaalsContact C-N 3.33Å; L157-V161 HydrophobicContact CB-CB 4.46Å; L157-V161 HydrophobicContact CD1-CG1 4.18Å; L157-K162 HydrophobicContact CB-CG 4.46Å; L157-K162 WeakPolarHBondContact O-CE 3.35Å; L157-K162 PolarHBondContact O-NZ 3.22Å
158P97.2Very high97.4Very high67 Ų6747.3 Ų47.344%0.43525%0.25SS..  trans-55148.3175.6-25.534.2000112.6F160 V161 K162P158-F160 VanDerWaalsContact C-N 3.29Å; P158-F160 HydrophobicContact CB-CD1 3.56Å; P158-F160 HydrophobicContact CB-CE1 3.33Å; P158-F160 HydrophobicContact CB-CZ 4.18Å; P158-F160 HydrophobicContact CG-CE1 3.9Å; P158-F160 HydrophobicContact CG-CZ 4.43Å; P158-F160 PolarHBondContact O-N 3.46Å; P158-V161 HydrophobicContact CB-CG2 4.28Å; P158-V161 HydrophobicContact CG-CG2 4.38Å; P158-V161 WeakPolarHBondContact O-CB 3.41Å; P158-V161 PolarHBondContact O-N 2.75Å; P158-K162 PolarHBondContact O-N 2.96Å
159G96.5Very high97.4Very high27 Ų2748.5 Ų48.528%0.27826%0.258SS..Hα-helixtrans-55-41.4-177.400000113.6V161 K162 Q163G159-V161 VanDerWaalsContact C-N 3.28Å; G159-V161 PolarHBondContact O-N 3.11Å; G159-K162 WeakPolarHBondContact O-CB 3.48Å; G159-K162 PolarHBondContact O-N 3.26Å; G159-K162 VanDerWaalsContact O-N 3.15Å; G159-Q163 WeakPolarHBondContact O-CG 3.32Å; G159-Q163 PolarHBondContact O-N 3.41Å
160F97.6Very high97.4Very high145 Ų14549.5 Ų49.564%0.63626%0.261SS*.Hα-helixtrans-62.2-34.3179.575.3-94000112.8P158 F164P158-F160 VanDerWaalsContact C-N 3.29Å; P158-F160 HydrophobicContact CB-CD1 3.56Å; P158-F160 HydrophobicContact CB-CE1 3.33Å; P158-F160 HydrophobicContact CB-CZ 4.18Å; P158-F160 HydrophobicContact CG-CE1 3.9Å; P158-F160 HydrophobicContact CG-CZ 4.43Å; P158-F160 PolarHBondContact O-N 3.46Å; F160-F164 WeakPolarHBondContact O-CB 3.48Å; F160-F164 PolarHBondContact O-N 3.49Å
161V98.1Very high97.4Very high41 Ų4149.7 Ų49.725%0.24827%0.265CS..Hα-helixtrans-67.6-44.8176.6-179.40000109.6L157 P158 G159 Q163 F164 S165L157-V161 HydrophobicContact CB-CB 4.46Å; L157-V161 HydrophobicContact CD1-CG1 4.18Å; P158-V161 HydrophobicContact CB-CG2 4.28Å; P158-V161 HydrophobicContact CG-CG2 4.38Å; P158-V161 WeakPolarHBondContact O-CB 3.41Å; P158-V161 PolarHBondContact O-N 2.75Å; G159-V161 VanDerWaalsContact C-N 3.28Å; G159-V161 PolarHBondContact O-N 3.11Å; V161-Q163 PolarHBondContact O-N 2.83Å; V161-F164 PolarHBondContact O-N 2.95Å; V161-S165 WeakPolarHBondContact O-CB 3.48Å; V161-S165 PolarHBondContact O-N 3.12Å; V161-S165 PolarHBondContact O-OG 2.89Å
162K98Very high97.4Very high21 Ų2150.8 Ų50.89%0.09127%0.271CS..Hα-helixtrans-62.2-43.6177-66.4172.6-178.81440111.6L137 F141 H155 L157 P158 G159 S165 V166L137-K162 HydrophobicContact CB-CB 4.1Å; F141-K162 HydrophobicContact CE2-CG 4.43Å; H155-K162 WeakPolarHBondContact O-CE 3.38Å; H155-K162 PolarHBondContact O-NZ 3.36Å; L157-K162 HydrophobicContact CB-CG 4.46Å; L157-K162 WeakPolarHBondContact O-CE 3.35Å; L157-K162 PolarHBondContact O-NZ 3.22Å; P158-K162 PolarHBondContact O-N 2.96Å; G159-K162 WeakPolarHBondContact O-CB 3.48Å; G159-K162 PolarHBondContact O-N 3.26Å; G159-K162 VanDerWaalsContact O-N 3.15Å; K162-S165 WeakPolarHBondContact O-CB 3.19Å; K162-S165 PolarHBondContact O-N 3.21Å; K162-V166 WeakPolarHBondContact O-CG2 3.08Å; K162-V166 PolarHBondContact O-N 2.75Å
163Q98.3Very high97.4Very high77 Ų7750.4 Ų50.436%0.3627%0.27SS..Hα-helixtrans-63.1-45.8176.7-71.6171.1-31.700111.9L134 G159 V161 S165 V166 A167L134-Q163 HydrophobicContact CB-CB 4.15Å; L134-Q163 HydrophobicContact CB-CG 4.24Å; L134-Q163 WeakPolarHBondContact O-CA 3.47Å; L134-Q163 WeakPolarHBondContact O-CG 3.37Å; G159-Q163 WeakPolarHBondContact O-CG 3.32Å; G159-Q163 PolarHBondContact O-N 3.41Å; V161-Q163 PolarHBondContact O-N 2.83Å; Q163-S165 VanDerWaalsContact C-N 3.29Å; Q163-S165 PolarHBondContact O-N 3.24Å; Q163-V166 PolarHBondContact O-N 3.41Å; Q163-V166 VanDerWaalsContact O-N 3.16Å; Q163-A167 PolarHBondContact O-N 3.12Å
164F98.3Very high97.4Very high147 Ų14746.1 Ų46.165%0.64525%0.254SS*.Hα-helixtrans-57.6-43.2172.9174.1-96.8000111.5F160 V161 V166 A167 A168F160-F164 WeakPolarHBondContact O-CB 3.48Å; F160-F164 PolarHBondContact O-N 3.49Å; V161-F164 PolarHBondContact O-N 2.95Å; F164-V166 VanDerWaalsContact C-N 3.33Å; F164-V166 PolarHBondContact O-N 2.84Å; F164-A167 PolarHBondContact O-N 3.12Å; F164-A168 WeakPolarHBondContact O-CB 3.44Å; F164-A168 PolarHBondContact O-N 3.1Å
165S98.1Very high97.3Very high41 Ų4149.1 Ų49.129%0.28727%0.265SS..Hα-helixtrans-63.3-34.5176.6-64.30000113.2V161 K162 Q163 T169V161-S165 WeakPolarHBondContact O-CB 3.48Å; V161-S165 PolarHBondContact O-N 3.12Å; V161-S165 PolarHBondContact O-OG 2.89Å; K162-S165 WeakPolarHBondContact O-CB 3.19Å; K162-S165 PolarHBondContact O-N 3.21Å; Q163-S165 VanDerWaalsContact C-N 3.29Å; Q163-S165 PolarHBondContact O-N 3.24Å; S165-T169 WeakPolarHBondContact O-CB 3.07Å; S165-T169 PolarHBondContact O-N 3.48Å; S165-T169 PolarHBondContact O-OG1 3.29Å
166V98Very high97.3Very high0 Ų048.8 Ų48.80%027%0.265CS..Hα-helixtrans-66.2-46.8172.3177.80000110.8W131 L134 A136 L137 K162 Q163 F164 A168 T169 F170W131-V166 HydrophobicContact CE3-CG1 4Å; W131-V166 HydrophobicContact CZ3-CG1 4.24Å; L134-V166 HydrophobicContact CB-CB 4.25Å; L134-V166 HydrophobicContact CB-CG1 4.3Å; L134-V166 HydrophobicContact CD2-CB 4.31Å; L134-V166 HydrophobicContact CD2-CG1 3.78Å; L134-V166 WeakPolarHBondContact O-CG2 3.47Å; A136-V166 HydrophobicContact CB-CG1 4.47Å; A136-V166 HydrophobicContact CB-CG2 4Å; L137-V166 HydrophobicContact CB-CG2 3.95Å; L137-V166 HydrophobicContact CD1-CG2 3.91Å; L137-V166 HydrophobicContact CG-CG2 3.61Å; K162-V166 WeakPolarHBondContact O-CG2 3.08Å; K162-V166 PolarHBondContact O-N 2.75Å; Q163-V166 PolarHBondContact O-N 3.41Å; Q163-V166 VanDerWaalsContact O-N 3.16Å; F164-V166 VanDerWaalsContact C-N 3.33Å; F164-V166 PolarHBondContact O-N 2.84Å; V166-A168 PolarHBondContact O-N 2.94Å; V166-T169 WeakPolarHBondContact O-CB 3.39Å; V166-T169 PolarHBondContact O-N 2.93Å; V166-T169 VanDerWaalsContact O-N 3.14Å; V166-F170 HydrophobicContact CG1-CD2 4.08Å; V166-F170 HydrophobicContact CG1-CE2 3.74Å; V166-F170 WeakPolarHBondContact O-CD2 3.1Å; V166-F170 PolarHBondContact O-N 2.89Å; V166-F170 VanDerWaalsContact O-N 3.08Å
167A98.1Very high97.3Very high36 Ų3646.9 Ų46.930%0.29826%0.255SS..Hα-helixtrans-59.4-45.6176.100000111.7L134 Q163 F164 T169 F170 V171L134-A167 HydrophobicContact CD1-CB 4.33Å; Q163-A167 PolarHBondContact O-N 3.12Å; F164-A167 PolarHBondContact O-N 3.12Å; A167-T169 VanDerWaalsContact C-N 3.3Å; A167-T169 PolarHBondContact O-N 2.76Å; A167-F170 PolarHBondContact O-N 3.32Å; A167-F170 VanDerWaalsContact O-N 3.17Å; A167-V171 WeakPolarHBondContact O-CG2 3.47Å; A167-V171 PolarHBondContact O-N 3.27Å
168A98Very high97.2Very high29 Ų2944.2 Ų44.224%0.2424%0.242CC..Hα-helixtrans-60.5-38.617500000112.1F164 V166 F170 V171 I172F164-A168 WeakPolarHBondContact O-CB 3.44Å; F164-A168 PolarHBondContact O-N 3.1Å; V166-A168 PolarHBondContact O-N 2.94Å; A168-F170 VanDerWaalsContact C-N 3.34Å; A168-F170 PolarHBondContact O-N 3.15Å; A168-V171 PolarHBondContact O-N 3.39Å; A168-I172 WeakPolarHBondContact O-CB 3.3Å; A168-I172 VanDerWaalsContact O-CG1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.29Å; A168-I172 PolarHBondContact O-N 3.45Å
169T97.6Very high97Very high28 Ų2842.1 Ų42.117%0.17223%0.226CC..Hα-helixtrans-59.7-43.6174.8-61.50000111.2S165 V166 A167 I172 L173S165-T169 WeakPolarHBondContact O-CB 3.07Å; S165-T169 PolarHBondContact O-N 3.48Å; S165-T169 PolarHBondContact O-OG1 3.29Å; V166-T169 WeakPolarHBondContact O-CB 3.39Å; V166-T169 PolarHBondContact O-N 2.93Å; V166-T169 VanDerWaalsContact O-N 3.14Å; A167-T169 VanDerWaalsContact C-N 3.3Å; A167-T169 PolarHBondContact O-N 2.76Å; T169-I172 PolarHBondContact O-N 2.75Å; T169-L173 HydrophobicContact CG2-CD1 3.63Å; T169-L173 HydrophobicContact CG2-CG 4.12Å; T169-L173 VanDerWaalsContact O-CB 3.3Å; T169-L173 WeakPolarHBondContact O-CB 3.2Å; T169-L173 VanDerWaalsContact O-CG 3.29Å; T169-L173 WeakPolarHBondContact O-CG 3.45Å; T169-L173 PolarHBondContact O-N 2.84Å
170F96.7Very high96.8Very high29 Ų2940.9 Ų40.913%0.12721%0.213CC..Hα-helixtrans-64-43.9175.4-77.6-60.1000112.9K123 L124 W131 L134 V166 A167 A168 I172 L173 I174K123-F170 HydrophobicContact CB-CE1 3.87Å; K123-F170 HydrophobicContact CB-CZ 4.13Å; L124-F170 HydrophobicContact CD1-CE1 4.4Å; L124-F170 HydrophobicContact CD2-CD1 4.28Å; L124-F170 HydrophobicContact CD2-CE1 3.61Å; L124-F170 HydrophobicContact CD2-CE2 4.22Å; L124-F170 HydrophobicContact CD2-CZ 3.58Å; L124-F170 HydrophobicContact CG-CD1 4.31Å; L124-F170 HydrophobicContact CG-CE1 3.71Å; L124-F170 HydrophobicContact CG-CZ 4.18Å; W131-F170 HydrophobicContact CB-CZ 4.11Å; W131-F170 HydrophobicContact CD2-CZ 4.43Å; W131-F170 HydrophobicContact CE3-CE2 4.3Å; W131-F170 HydrophobicContact CE3-CZ 4.01Å; W131-F170 HydrophobicContact CG-CZ 4.48Å; L134-F170 HydrophobicContact CD2-CD2 4.41Å; L134-F170 HydrophobicContact CD2-CE2 4.34Å; V166-F170 HydrophobicContact CG1-CD2 4.08Å; V166-F170 HydrophobicContact CG1-CE2 3.74Å; V166-F170 WeakPolarHBondContact O-CD2 3.1Å; V166-F170 PolarHBondContact O-N 2.89Å; V166-F170 VanDerWaalsContact O-N 3.08Å; A167-F170 PolarHBondContact O-N 3.32Å; A167-F170 VanDerWaalsContact O-N 3.17Å; A168-F170 VanDerWaalsContact C-N 3.34Å; A168-F170 PolarHBondContact O-N 3.15Å; F170-I172 VanDerWaalsContact C-N 3.33Å; F170-I172 PolarHBondContact O-N 2.99Å; F170-L173 PolarHBondContact O-N 2.99Å; F170-I174 HydrophobicContact CD1-CD1 3.88Å; F170-I174 WeakPolarHBondContact O-CB 3.29Å; F170-I174 PolarHBondContact O-N 3.07Å
171V97.6Very high96.6Very high77 Ų7734 Ų3447%0.46718%0.182SC..Iπ-helixtrans-59.9-46176.8174.70000110.4A167 A168 F175 L176A167-V171 WeakPolarHBondContact O-CG2 3.47Å; A167-V171 PolarHBondContact O-N 3.27Å; A168-V171 PolarHBondContact O-N 3.39Å; V171-F175 HydrophobicContact CG1-CB 4.44Å; V171-F175 HydrophobicContact CG1-CD1 4.48Å; V171-F175 WeakPolarHBondContact O-CA 3.43Å; V171-F175 VanDerWaalsContact O-CB 3.29Å; V171-F175 WeakPolarHBondContact O-CB 3.47Å; V171-F175 PolarHBondContact O-N 3.37Å; V171-L176 PolarHBondContact O-N 3.15Å
172I98Very high96.2Very high23 Ų2333 Ų3312%0.11818%0.177CC..Iπ-helixtrans-66.6-50.6179.7-65.5166.6000110.6A168 T169 F170 L176 S177 G194 Q195 L198A168-I172 WeakPolarHBondContact O-CB 3.3Å; A168-I172 VanDerWaalsContact O-CG1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.29Å; A168-I172 PolarHBondContact O-N 3.45Å; T169-I172 PolarHBondContact O-N 2.75Å; F170-I172 VanDerWaalsContact C-N 3.33Å; F170-I172 PolarHBondContact O-N 2.99Å; I172-L176 HydrophobicContact CB-CD1 4.44Å; I172-L176 HydrophobicContact CG1-CD1 4.01Å; I172-L176 WeakPolarHBondContact O-CB 3.27Å; I172-S177 PolarHBondContact O-N 3.49Å; I172-G194 WeakPolarHBondContact CG2-O 3.25Å; I172-Q195 PolarHBondContact O-NE2 2.98Å; I172-L198 HydrophobicContact CB-CD2 4.25Å; I172-L198 HydrophobicContact CD1-CB 4.28Å; I172-L198 HydrophobicContact CG2-CB 3.97Å; I172-L198 HydrophobicContact CG2-CD2 3.74Å; I172-L198 HydrophobicContact CG2-CG 4.49Å
173L96.9Very high95.6Very high11 Ų1132.3 Ų32.36%0.05818%0.175CC..Iπ-helixtrans-69.4-40.3-174.4-70.7-179.2000113.3M116 F117 T169 F170 S177 L198M116-L173 CarbonylContact C-O 3.56Å; M116-L173 VanDerWaalsContact C-O 3.24Å; M116-L173 HydrophobicContact CB-CD2 4.26Å; M116-L173 HydrophobicContact SD-CD2 3.82Å; F117-L173 WeakPolarHBondContact CA-O 3.36Å; F117-L173 PolarHBondContact N-O 3.19Å; T169-L173 HydrophobicContact CG2-CD1 3.63Å; T169-L173 HydrophobicContact CG2-CG 4.12Å; T169-L173 VanDerWaalsContact O-CB 3.3Å; T169-L173 WeakPolarHBondContact O-CB 3.2Å; T169-L173 VanDerWaalsContact O-CG 3.29Å; T169-L173 WeakPolarHBondContact O-CG 3.45Å; T169-L173 PolarHBondContact O-N 2.84Å; F170-L173 PolarHBondContact O-N 2.99Å; L173-S177 WeakPolarHBondContact O-CB 3.48Å; L173-S177 PolarHBondContact O-OG 2.93Å; L173-L198 HydrophobicContact CD2-CD2 3.56Å; L173-L198 HydrophobicContact CG-CD2 3.82Å
174I95Very high95.2Very high14 Ų1430.3 Ų30.37%0.07217%0.17CC..Iπ-helixtrans-97-54.5-173.5-56177.5000111F117 V121 L124 F170 S177F117-I174 HydrophobicContact CD2-CG2 4.17Å; F117-I174 HydrophobicContact CE2-CG2 3.89Å; V121-I174 HydrophobicContact CG2-CD1 4.14Å; V121-I174 HydrophobicContact CG2-CG1 4.16Å; V121-I174 HydrophobicContact CG2-CG2 4.29Å; L124-I174 HydrophobicContact CD1-CD1 3.78Å; F170-I174 HydrophobicContact CD1-CD1 3.88Å; F170-I174 WeakPolarHBondContact O-CB 3.29Å; F170-I174 PolarHBondContact O-N 3.07Å; I174-S177 PolarHBondContact O-OG 3.36Å
175F95.2Very high94.8Very high74 Ų7427.2 Ų27.233%0.32516%0.156SC..Iπ-helixtrans-78.3-48.9-171.7-176-106.2000111.9V171 S177 L178 F179 L235V171-F175 HydrophobicContact CG1-CB 4.44Å; V171-F175 HydrophobicContact CG1-CD1 4.48Å; V171-F175 WeakPolarHBondContact O-CA 3.43Å; V171-F175 VanDerWaalsContact O-CB 3.29Å; V171-F175 WeakPolarHBondContact O-CB 3.47Å; V171-F175 PolarHBondContact O-N 3.37Å; F175-S177 VanDerWaalsContact C-N 3.28Å; F175-S177 PolarHBondContact O-N 3.41Å; F175-L178 WeakPolarHBondContact O-CB 3.44Å; F175-L178 PolarHBondContact O-N 2.97Å; F175-F179 HydrophobicContact CD1-CZ 4.18Å; F175-F179 AromaticContact CE1-CE1 3.99Å; F175-F179 HydrophobicContact CE1-CE1 3.99Å; F175-F179 HydrophobicContact CE1-CE2 4.03Å; F175-F179 AromaticContact CE1-CZ 3.38Å; F175-F179 HydrophobicContact CE1-CZ 3.38Å; F175-F179 HydrophobicContact CE2-CE1 4.48Å; F175-F179 AromaticContact CZ-CE1 3.9Å; F175-F179 HydrophobicContact CZ-CE1 3.9Å; F175-F179 AromaticContact CZ-CZ 3.64Å; F175-F179 HydrophobicContact CZ-CZ 3.64Å; F175-L235 HydrophobicContact CE2-CD2 3.5Å; F175-L235 VanDerWaalsContact CE2-CD2 3.5Å; F175-L235 HydrophobicContact CZ-CD2 3.85Å
176L96.5Very high94.5Very high22 Ų2231 Ų3112%0.11517%0.169CC..Iπ-helixtrans-71-22.4179.2-59.5-170.8000113V171 I172 L178 F179 V190 A191V171-L176 PolarHBondContact O-N 3.15Å; I172-L176 HydrophobicContact CB-CD1 4.44Å; I172-L176 HydrophobicContact CG1-CD1 4.01Å; I172-L176 WeakPolarHBondContact O-CB 3.27Å; L176-L178 VanDerWaalsContact C-N 3.32Å; L176-F179 HydrophobicContact CD2-CD2 3.88Å; L176-F179 HydrophobicContact CD2-CE2 3.83Å; L176-F179 WeakPolarHBondContact O-CB 3.49Å; L176-F179 PolarHBondContact O-N 3.32Å; L176-V190 HydrophobicContact CD2-CG1 4Å; L176-A191 WeakPolarHBondContact O-CB 3.37Å
177S96.1Very high94.4Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-67.4-32.5173.664.50000112.2F113 I172 L173 I174 F175 F179 M180F113-S177 WeakPolarHBondContact CD2-O 3.37Å; I172-S177 PolarHBondContact O-N 3.49Å; L173-S177 WeakPolarHBondContact O-CB 3.48Å; L173-S177 PolarHBondContact O-OG 2.93Å; I174-S177 PolarHBondContact O-OG 3.36Å; F175-S177 VanDerWaalsContact C-N 3.28Å; F175-S177 PolarHBondContact O-N 3.41Å; S177-F179 PolarHBondContact O-N 3.01Å; S177-M180 WeakPolarHBondContact O-CB 3.49Å; S177-M180 VanDerWaalsContact O-CG 3.28Å; S177-M180 WeakPolarHBondContact O-CG 3.26Å; S177-M180 PolarHBondContact O-N 2.91Å
178L94.5Very high94.1Very high20 Ų2032.1 Ų32.111%0.10517%0.17CC..Hα-helixtrans-60.7-33.9173.9-66.1168.2000112F113 F117 F175 L176 M180 L181 V249F113-L178 HydrophobicContact CE2-CD2 3.78Å; F117-L178 HydrophobicContact CD2-CD2 4.33Å; F117-L178 HydrophobicContact CE2-CD2 4.17Å; F175-L178 WeakPolarHBondContact O-CB 3.44Å; F175-L178 PolarHBondContact O-N 2.97Å; L176-L178 VanDerWaalsContact C-N 3.32Å; L178-M180 PolarHBondContact O-N 3.22Å; L178-L181 PolarHBondContact O-N 3.25Å; L178-L181 VanDerWaalsContact O-N 3.09Å; L178-V249 HydrophobicContact CD2-CB 4.38Å; L178-V249 HydrophobicContact CD2-CG1 3.62Å; L178-V249 HydrophobicContact CD2-CG2 3.77Å
179F94.5Very high94Very high22 Ų2235.2 Ų35.210%0.09618%0.176CC..G310 helixtrans-65.2-19.1177.5-69.8-0.6000113.1F175 L176 S177 L181 S182 L187 R188 V190 A191 L235F175-F179 HydrophobicContact CD1-CZ 4.18Å; F175-F179 AromaticContact CE1-CE1 3.99Å; F175-F179 HydrophobicContact CE1-CE1 3.99Å; F175-F179 HydrophobicContact CE1-CE2 4.03Å; F175-F179 AromaticContact CE1-CZ 3.38Å; F175-F179 HydrophobicContact CE1-CZ 3.38Å; F175-F179 HydrophobicContact CE2-CE1 4.48Å; F175-F179 AromaticContact CZ-CE1 3.9Å; F175-F179 HydrophobicContact CZ-CE1 3.9Å; F175-F179 AromaticContact CZ-CZ 3.64Å; F175-F179 HydrophobicContact CZ-CZ 3.64Å; L176-F179 HydrophobicContact CD2-CD2 3.88Å; L176-F179 HydrophobicContact CD2-CE2 3.83Å; L176-F179 WeakPolarHBondContact O-CB 3.49Å; L176-F179 PolarHBondContact O-N 3.32Å; S177-F179 PolarHBondContact O-N 3.01Å; F179-L181 PolarHBondContact O-N 3.22Å; F179-S182 VanDerWaalsContact O-CB 3.24Å; F179-S182 WeakPolarHBondContact O-CB 3.3Å; F179-S182 PolarHBondContact O-N 2.99Å; F179-S182 VanDerWaalsContact O-N 3.08Å; F179-L187 HydrophobicContact CB-CB 4.13Å; F179-L187 WeakPolarHBondContact CB-O 3.36Å; F179-L187 HydrophobicContact CD2-CB 4.16Å; F179-L187 HydrophobicContact CD2-CD2 4.04Å; F179-L187 HydrophobicContact CE1-CD2 4.42Å; F179-L187 HydrophobicContact CE2-CD2 3.81Å; F179-L187 HydrophobicContact CG-CB 4.04Å; F179-L187 HydrophobicContact CG-CD2 4.44Å; F179-L187 HydrophobicContact CZ-CD2 4Å; F179-R188 WeakPolarHBondContact O-CG 3.5Å; F179-V190 HydrophobicContact CD2-CG1 4.41Å; F179-A191 HydrophobicContact CB-CB 3.81Å; F179-L235 HydrophobicContact CE1-CD2 4.17Å
180M92.5Very high94Very high1 Ų137.6 Ų37.61%0.00519%0.19CC..G310 helixtrans-59.9-31.5172.1-64.9-69.8-66.400112.4F113 S177 L178 S182 A191 C219 A222F113-M180 HydrophobicContact CB-CB 4.26Å; S177-M180 WeakPolarHBondContact O-CB 3.49Å; S177-M180 VanDerWaalsContact O-CG 3.28Å; S177-M180 WeakPolarHBondContact O-CG 3.26Å; S177-M180 PolarHBondContact O-N 2.91Å; L178-M180 PolarHBondContact O-N 3.22Å; M180-S182 VanDerWaalsContact C-N 3.33Å; M180-A191 HydrophobicContact CG-CB 4.04Å; M180-A191 HydrophobicContact SD-CB 3.71Å; M180-C219 HydrophobicContact CE-CB 4.42Å; M180-A222 HydrophobicContact CE-CB 3.67Å; M180-A222 HydrophobicContact SD-CB 3.57Å; M180-A222 VanDerWaalsContact SD-CB 3.57Å
181L92.1Very high94Very high1 Ų136.2 Ų36.21%0.00518%0.184CC..G310 helixtrans-86.1-6.5179.5-53.9-177.9000112.5F106 W110 F113 L178 F179F106-L181 HydrophobicContact CZ-CD2 4.15Å; W110-L181 HydrophobicContact CE3-CD1 4.33Å; W110-L181 HydrophobicContact CE3-CD2 3.96Å; W110-L181 HydrophobicContact CZ3-CD1 4.17Å; F113-L181 HydrophobicContact CB-CD2 3.92Å; F113-L181 HydrophobicContact CB-CG 4.17Å; F113-L181 HydrophobicContact CD1-CD1 3.88Å; F113-L181 HydrophobicContact CD1-CD2 4.27Å; F113-L181 HydrophobicContact CD1-CG 4.36Å; F113-L181 HydrophobicContact CD2-CD1 4.06Å; F113-L181 HydrophobicContact CD2-CG 4.27Å; F113-L181 HydrophobicContact CE1-CD1 4.11Å; F113-L181 HydrophobicContact CE2-CD1 4.29Å; F113-L181 HydrophobicContact CG-CD1 3.86Å; F113-L181 HydrophobicContact CG-CD2 4.08Å; F113-L181 HydrophobicContact CG-CG 3.97Å; F113-L181 HydrophobicContact CZ-CD1 4.33Å; L178-L181 PolarHBondContact O-N 3.25Å; L178-L181 VanDerWaalsContact O-N 3.09Å; F179-L181 PolarHBondContact O-N 3.22Å
182S89.4Confident94Very high19 Ų1934.7 Ų34.713%0.13317%0.171CC..  trans-69.8140.4-175-174.50000112.3F179 M180 S184 L187 R188F179-S182 VanDerWaalsContact O-CB 3.24Å; F179-S182 WeakPolarHBondContact O-CB 3.3Å; F179-S182 PolarHBondContact O-N 2.99Å; F179-S182 VanDerWaalsContact O-N 3.08Å; M180-S182 VanDerWaalsContact C-N 3.33Å; S182-S184 PolarHBondContact O-N 3.16Å; S182-S184 PolarHBondContact OG-N 3.11Å; S182-L187 WeakPolarHBondContact OG-CD1 3.5Å; S182-R188 WeakPolarHBondContact O-CD 3.4Å; S182-R188 WeakPolarHBondContact O-CG 3.41Å; S182-R188 PolarHBondContact O-NH1 3.41Å
183P86.9Confident94Very high7 Ų735.3 Ų35.35%0.04518%0.183CC..SBendtrans-67.5-23168.628.8-35.5000112.5K185 R188 S226 F228 S229 T231 M256P183-K185 PolarHBondContact O-N 2.94Å; P183-R188 PolarHBondContact O-NH1 2.78Å; P183-S226 PolarHBondContact O-OG 2.91Å; P183-F228 WeakPolarHBondContact CB-O 3.37Å; P183-S229 WeakPolarHBondContact O-CA 3.32Å; P183-T231 VanDerWaalsContact CG-O 3.27Å; P183-T231 WeakPolarHBondContact CG-O 3.35Å; P183-M256 HydrophobicContact CG-SD 4.46Å
184S88.8Confident94.1Very high36 Ų3635.3 Ų35.325%0.25219%0.186SC..  trans-73.1120.6177.8177.50000111.6S182 H186 L187 R188S182-S184 PolarHBondContact O-N 3.16Å; S182-S184 PolarHBondContact OG-N 3.11Å; S184-H186 PolarHBondContact O-N 3.35Å; S184-H186 PolarHBondContact OG-N 2.66Å; S184-L187 PolarHBondContact O-N 3.19Å; S184-R188 WeakPolarHBondContact O-CG 3.22Å; S184-R188 PolarHBondContact O-N 2.91Å; S184-R188 VanDerWaalsContact O-N 3.16Å
185K89.8Confident94.2Very high81 Ų8134.7 Ų34.735%0.35218%0.182SC..Hα-helixtrans-60-33.9175.867.3-178.5-179179.60112.7P183 R188 Y189P183-K185 PolarHBondContact O-N 2.94Å; K185-R188 PolarHBondContact O-N 2.8Å; K185-Y189 HydrophobicContact CB-CE1 4.42Å; K185-Y189 WeakPolarHBondContact O-CD1 3.33Å; K185-Y189 PolarHBondContact O-N 2.91Å
186H92.8Very high94.4Very high121 Ų12132.6 Ų32.656%0.5618%0.176SC*.Hα-helixtrans-68.9-44.1-177.8-64.1-75000111.3S184 R188 Y189 V190S184-H186 PolarHBondContact O-N 3.35Å; S184-H186 PolarHBondContact OG-N 2.66Å; H186-R188 VanDerWaalsContact C-N 3.32Å; H186-R188 PolarHBondContact O-N 3.48Å; H186-Y189 PolarHBondContact O-N 3.14Å; H186-V190 WeakPolarHBondContact O-CG2 3.38Å; H186-V190 PolarHBondContact O-N 2.93Å
187L94.5Very high94.5Very high60 Ų6036.2 Ų36.231%0.31420%0.195SC..Hα-helixtrans-62.1-42.1174.6-65.9-178.9000111F179 S182 S184 Y189 V190 A191F179-L187 HydrophobicContact CB-CB 4.13Å; F179-L187 WeakPolarHBondContact CB-O 3.36Å; F179-L187 HydrophobicContact CD2-CB 4.16Å; F179-L187 HydrophobicContact CD2-CD2 4.04Å; F179-L187 HydrophobicContact CE1-CD2 4.42Å; F179-L187 HydrophobicContact CE2-CD2 3.81Å; F179-L187 HydrophobicContact CG-CB 4.04Å; F179-L187 HydrophobicContact CG-CD2 4.44Å; F179-L187 HydrophobicContact CZ-CD2 4Å; S182-L187 WeakPolarHBondContact OG-CD1 3.5Å; S184-L187 PolarHBondContact O-N 3.19Å; L187-Y189 VanDerWaalsContact C-N 3.34Å; L187-Y189 PolarHBondContact O-N 2.65Å; L187-V190 PolarHBondContact O-N 3.38Å; L187-A191 PolarHBondContact O-N 3.26Å
188R93.8Very high94.6Very high0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-61.4-38.4174.6-72.3-160.4-53-87.63.3113.5F179 S182 P183 S184 K185 H186 A191 F192 A222 V224 S226F179-R188 WeakPolarHBondContact O-CG 3.5Å; S182-R188 WeakPolarHBondContact O-CD 3.4Å; S182-R188 WeakPolarHBondContact O-CG 3.41Å; S182-R188 PolarHBondContact O-NH1 3.41Å; P183-R188 PolarHBondContact O-NH1 2.78Å; S184-R188 WeakPolarHBondContact O-CG 3.22Å; S184-R188 PolarHBondContact O-N 2.91Å; S184-R188 VanDerWaalsContact O-N 3.16Å; K185-R188 PolarHBondContact O-N 2.8Å; H186-R188 VanDerWaalsContact C-N 3.32Å; H186-R188 PolarHBondContact O-N 3.48Å; R188-A191 WeakPolarHBondContact O-CB 3.41Å; R188-A191 PolarHBondContact O-N 3.37Å; R188-F192 PolarHBondContact O-N 3.2Å; R188-A222 HydrophobicContact CB-CB 4.09Å; R188-A222 WeakPolarHBondContact CB-O 3.46Å; R188-A222 PolarHBondContact NE-O 3.31Å; R188-A222 VanDerWaalsContact NE-O 3.12Å; R188-V224 PolarHBondContact NH2-O 3.36Å; R188-S226 PolarHBondContact NH1-OG 3.31Å; R188-S226 PolarHBondContact NH2-OG 3.32Å
189Y95Very high94.7Very high94 Ų9436 Ų3637%0.36919%0.194SC..Hα-helixtrans-67.6-38.7176.8-66.2-5000111.9K185 H186 L187 A191 F192 G193 L223K185-Y189 HydrophobicContact CB-CE1 4.42Å; K185-Y189 WeakPolarHBondContact O-CD1 3.33Å; K185-Y189 PolarHBondContact O-N 2.91Å; H186-Y189 PolarHBondContact O-N 3.14Å; L187-Y189 VanDerWaalsContact C-N 3.34Å; L187-Y189 PolarHBondContact O-N 2.65Å; Y189-A191 VanDerWaalsContact C-N 3.33Å; Y189-F192 PolarHBondContact O-N 3.02Å; Y189-G193 PolarHBondContact O-N 3.45Å; Y189-L223 HydrophobicContact CD1-CD2 3.65Å; Y189-L223 HydrophobicContact CE1-CD2 3.98Å; Y189-L223 HydrophobicContact CG-CD2 4.42Å
190V97.2Very high94.9Very high78 Ų7838.3 Ų38.347%0.47321%0.209SC..Hα-helixtrans-62.2-43.3172.4174.70000110.5L176 F179 H186 L187 G193 G194L176-V190 HydrophobicContact CD2-CG1 4Å; F179-V190 HydrophobicContact CD2-CG1 4.41Å; H186-V190 WeakPolarHBondContact O-CG2 3.38Å; H186-V190 PolarHBondContact O-N 2.93Å; L187-V190 PolarHBondContact O-N 3.38Å; V190-G193 PolarHBondContact O-N 2.77Å; V190-G194 PolarHBondContact O-N 3.47Å
191A97.2Very high95.1Very high0 Ų042.7 Ų42.70%023%0.232CC..Hα-helixtrans-56.4-54.717400000111.2L176 F179 M180 L187 R188 Y189 G193 G194 Q195L176-A191 WeakPolarHBondContact O-CB 3.37Å; F179-A191 HydrophobicContact CB-CB 3.81Å; M180-A191 HydrophobicContact CG-CB 4.04Å; M180-A191 HydrophobicContact SD-CB 3.71Å; L187-A191 PolarHBondContact O-N 3.26Å; R188-A191 WeakPolarHBondContact O-CB 3.41Å; R188-A191 PolarHBondContact O-N 3.37Å; Y189-A191 VanDerWaalsContact C-N 3.33Å; A191-G193 PolarHBondContact O-N 3.01Å; A191-G194 PolarHBondContact O-N 2.93Å; A191-Q195 VanDerWaalsContact O-CG 3.29Å; A191-Q195 WeakPolarHBondContact O-CG 3.23Å; A191-Q195 PolarHBondContact O-N 3.27Å
192F97.8Very high95.4Very high44 Ų4444.7 Ų44.719%0.19324%0.243CC..Hα-helixtrans-56.3-47.5178.9172.4-103.7000112.4R188 Y189 T196 V216 C219 A222 L223R188-F192 PolarHBondContact O-N 3.2Å; Y189-F192 PolarHBondContact O-N 3.02Å; F192-T196 WeakPolarHBondContact CE2-OG1 3.49Å; F192-T196 WeakPolarHBondContact CZ-OG1 3.45Å; F192-T196 VanDerWaalsContact O-CB 3.24Å; F192-T196 WeakPolarHBondContact O-CB 3.23Å; F192-T196 PolarHBondContact O-N 3.4Å; F192-T196 PolarHBondContact O-OG1 2.75Å; F192-V216 HydrophobicContact CE2-CG1 4.46Å; F192-C219 HydrophobicContact CD2-CB 4.2Å; F192-C219 WeakPolarHBondContact CD2-O 3.45Å; F192-A222 HydrophobicContact CB-CB 4.3Å; F192-L223 HydrophobicContact CB-CD2 4.05Å; F192-L223 HydrophobicContact CB-CG 4.47Å; F192-L223 HydrophobicContact CD1-CD1 3.96Å; F192-L223 HydrophobicContact CD1-CD2 3.57Å; F192-L223 HydrophobicContact CD1-CG 3.97Å; F192-L223 HydrophobicContact CD2-CD1 4.37Å; F192-L223 HydrophobicContact CD2-CG 4.24Å; F192-L223 HydrophobicContact CE1-CD1 3.73Å; F192-L223 HydrophobicContact CE1-CD2 4.17Å; F192-L223 HydrophobicContact CE1-CG 4.27Å; F192-L223 HydrophobicContact CE2-CD1 4.17Å; F192-L223 HydrophobicContact CG-CD1 4.26Å; F192-L223 HydrophobicContact CG-CD2 3.79Å; F192-L223 HydrophobicContact CG-CG 3.94Å; F192-L223 HydrophobicContact CZ-CD1 3.85Å
193G97.9Very high95.7Very high36 Ų3644.9 Ų44.937%0.37125%0.245SC..Hα-helixtrans-60.7-47.3179.500000112.3Y189 V190 A191 T196 L197Y189-G193 PolarHBondContact O-N 3.45Å; V190-G193 PolarHBondContact O-N 2.77Å; A191-G193 PolarHBondContact O-N 3.01Å; G193-T196 PolarHBondContact O-N 3.27Å; G193-L197 WeakPolarHBondContact O-CB 3.39Å; G193-L197 PolarHBondContact O-N 3.47Å
194G98.2Very high96.2Very high11 Ų1148.7 Ų48.711%0.11326%0.264CS..Hα-helixtrans-63.6-47.5177.900000113.1I172 V190 A191 T196 L197 L198I172-G194 WeakPolarHBondContact CG2-O 3.25Å; V190-G194 PolarHBondContact O-N 3.47Å; A191-G194 PolarHBondContact O-N 2.93Å; G194-T196 VanDerWaalsContact C-N 3.34Å; G194-T196 PolarHBondContact O-N 3.45Å; G194-L197 PolarHBondContact O-N 2.93Å; G194-L198 PolarHBondContact O-N 2.89Å
195Q98.1Very high96.6Very high1 Ų147.8 Ų47.81%0.00526%0.257CS..Hα-helixtrans-62.7-42.1177.1-62-49.6-22.900111.6M116 I172 A191 L198 M199 C219M116-Q195 HydrophobicContact CE-CB 4.41Å; M116-Q195 HydrophobicContact CG-CG 4.27Å; M116-Q195 PolarHBondContact SD-OE1 3.18Å; I172-Q195 PolarHBondContact O-NE2 2.98Å; A191-Q195 VanDerWaalsContact O-CG 3.29Å; A191-Q195 WeakPolarHBondContact O-CG 3.23Å; A191-Q195 PolarHBondContact O-N 3.27Å; Q195-L198 PolarHBondContact O-N 2.95Å; Q195-M199 WeakPolarHBondContact O-CG 3.45Å; Q195-M199 PolarHBondContact O-N 3.42Å; Q195-C219 HydrophobicContact CB-CB 4.35Å
196T98.3Very high96.9Very high30 Ų3043.9 Ų43.918%0.18424%0.241CC..Hα-helixtrans-64.7-44.9179.1-590000111.4F192 G193 G194 L198 M199 V200 V216F192-T196 WeakPolarHBondContact CE2-OG1 3.49Å; F192-T196 WeakPolarHBondContact CZ-OG1 3.45Å; F192-T196 VanDerWaalsContact O-CB 3.24Å; F192-T196 WeakPolarHBondContact O-CB 3.23Å; F192-T196 PolarHBondContact O-N 3.4Å; F192-T196 PolarHBondContact O-OG1 2.75Å; G193-T196 PolarHBondContact O-N 3.27Å; G194-T196 VanDerWaalsContact C-N 3.34Å; G194-T196 PolarHBondContact O-N 3.45Å; T196-L198 VanDerWaalsContact C-N 3.32Å; T196-L198 PolarHBondContact O-N 3.28Å; T196-M199 PolarHBondContact O-N 3.41Å; T196-V200 HydrophobicContact CG2-CG2 4.41Å; T196-V200 VanDerWaalsContact O-CG2 3.32Å; T196-V200 WeakPolarHBondContact O-CG2 3.46Å; T196-V200 PolarHBondContact O-N 2.98Å; T196-V216 HydrophobicContact CG2-CG1 4.15Å; T196-V216 HydrophobicContact CG2-CG2 4.13Å
197L98.3Very high97.1Very high98 Ų9838.3 Ų38.351%0.51322%0.215SC..Hα-helixtrans-57.3-46.5175.7176.662.4000111.3G193 G194 V200 L201G193-L197 WeakPolarHBondContact O-CB 3.39Å; G193-L197 PolarHBondContact O-N 3.47Å; G194-L197 PolarHBondContact O-N 2.93Å; L197-V200 PolarHBondContact O-N 3.44Å; L197-L201 HydrophobicContact CD1-CD1 4.19Å; L197-L201 HydrophobicContact CD1-CG 4.31Å; L197-L201 HydrophobicContact CG-CD1 4.17Å; L197-L201 WeakPolarHBondContact O-CG 3.22Å; L197-L201 PolarHBondContact O-N 2.8Å
198L98.3Very high97.1Very high11 Ų1135.9 Ų35.96%0.05820%0.202CC..Hα-helixtrans-61.7-46.4177.8-178.662.5000111.8I172 L173 G194 Q195 T196 V200 L201 I202I172-L198 HydrophobicContact CB-CD2 4.25Å; I172-L198 HydrophobicContact CD1-CB 4.28Å; I172-L198 HydrophobicContact CG2-CB 3.97Å; I172-L198 HydrophobicContact CG2-CD2 3.74Å; I172-L198 HydrophobicContact CG2-CG 4.49Å; L173-L198 HydrophobicContact CD2-CD2 3.56Å; L173-L198 HydrophobicContact CG-CD2 3.82Å; G194-L198 PolarHBondContact O-N 2.89Å; Q195-L198 PolarHBondContact O-N 2.95Å; T196-L198 VanDerWaalsContact C-N 3.32Å; T196-L198 PolarHBondContact O-N 3.28Å; L198-V200 VanDerWaalsContact C-N 3.31Å; L198-V200 PolarHBondContact O-N 3.38Å; L198-L201 PolarHBondContact O-N 3.05Å; L198-I202 HydrophobicContact CD1-CD1 4Å; L198-I202 HydrophobicContact CD1-CG1 4.25Å; L198-I202 HydrophobicContact CG-CD1 3.83Å; L198-I202 HydrophobicContact CG-CG1 4.46Å; L198-I202 WeakPolarHBondContact O-CB 3.47Å; L198-I202 VanDerWaalsContact O-CG1 3.26Å; L198-I202 WeakPolarHBondContact O-CG1 3.31Å; L198-I202 PolarHBondContact O-N 3.43Å
199M98Very high97Very high6 Ų636 Ų363%0.0320%0.203CC..Hα-helixtrans-61.9-38.7177.5-68.1-54.9105.600112.1M116 Q195 T196 I202 A203 F211 N212 C215 V216M116-M199 HydrophobicContact CE-CE 3.83Å; M116-M199 HydrophobicContact CE-CG 4.37Å; M116-M199 HydrophobicContact CE-SD 4.14Å; M116-M199 HydrophobicContact SD-CE 4.12Å; Q195-M199 WeakPolarHBondContact O-CG 3.45Å; Q195-M199 PolarHBondContact O-N 3.42Å; T196-M199 PolarHBondContact O-N 3.41Å; M199-I202 HydrophobicContact CE-CD1 3.88Å; M199-I202 PolarHBondContact O-N 3.41Å; M199-A203 VanDerWaalsContact O-CB 3.3Å; M199-A203 WeakPolarHBondContact O-CB 3.22Å; M199-A203 PolarHBondContact O-N 3.47Å; M199-F211 HydrophobicContact SD-CE1 4.3Å; M199-N212 HydrophobicContact CB-CB 4.29Å; M199-N212 PolarHBondContact O-ND2 3.35Å; M199-C215 HydrophobicContact CG-CB 3.73Å; M199-C215 HydrophobicContact SD-CB 3.53Å; M199-C215 VanDerWaalsContact SD-CB 3.53Å; M199-V216 HydrophobicContact CB-CG2 3.74Å; M199-V216 HydrophobicContact CG-CG2 4.09Å
200V97.9Very high96.9Very high69 Ų6933.8 Ų33.842%0.41820%0.195SC..Hα-helixtrans-64.2-45.9175.7169.60000111T196 L197 L198 I202 A203 L204T196-V200 HydrophobicContact CG2-CG2 4.41Å; T196-V200 VanDerWaalsContact O-CG2 3.32Å; T196-V200 WeakPolarHBondContact O-CG2 3.46Å; T196-V200 PolarHBondContact O-N 2.98Å; L197-V200 PolarHBondContact O-N 3.44Å; L198-V200 VanDerWaalsContact C-N 3.31Å; L198-V200 PolarHBondContact O-N 3.38Å; V200-I202 VanDerWaalsContact C-N 3.34Å; V200-I202 PolarHBondContact O-N 3.32Å; V200-A203 PolarHBondContact O-N 2.96Å; V200-L204 HydrophobicContact CG1-CD1 3.87Å; V200-L204 HydrophobicContact CG1-CG 4.28Å; V200-L204 WeakPolarHBondContact O-CB 3.48Å; V200-L204 WeakPolarHBondContact O-CG 3.45Å; V200-L204 PolarHBondContact O-N 2.97Å
201L97.6Very high96.9Very high93 Ų9331 Ų3149%0.48718%0.176SC..Hα-helixtrans-64.5-38.1178.4-68.6172.9000112.6L197 L198 T205L197-L201 HydrophobicContact CD1-CD1 4.19Å; L197-L201 HydrophobicContact CD1-CG 4.31Å; L197-L201 HydrophobicContact CG-CD1 4.17Å; L197-L201 WeakPolarHBondContact O-CG 3.22Å; L197-L201 PolarHBondContact O-N 2.8Å; L198-L201 PolarHBondContact O-N 3.05Å; L201-T205 PolarHBondContact O-N 3.23Å; L201-T205 PolarHBondContact O-OG1 3.11Å
202I96.8Very high96.9Very high44 Ų4431.2 Ų31.223%0.22618%0.177CC..Hα-helixtrans-65-44.8174.7-67.9171.5000110.3L198 M199 V200 L204 T205 G206 Y208 N212L198-I202 HydrophobicContact CD1-CD1 4Å; L198-I202 HydrophobicContact CD1-CG1 4.25Å; L198-I202 HydrophobicContact CG-CD1 3.83Å; L198-I202 HydrophobicContact CG-CG1 4.46Å; L198-I202 WeakPolarHBondContact O-CB 3.47Å; L198-I202 VanDerWaalsContact O-CG1 3.26Å; L198-I202 WeakPolarHBondContact O-CG1 3.31Å; L198-I202 PolarHBondContact O-N 3.43Å; M199-I202 HydrophobicContact CE-CD1 3.88Å; M199-I202 PolarHBondContact O-N 3.41Å; V200-I202 VanDerWaalsContact C-N 3.34Å; V200-I202 PolarHBondContact O-N 3.32Å; I202-L204 VanDerWaalsContact C-N 3.33Å; I202-L204 PolarHBondContact O-N 3.44Å; I202-T205 PolarHBondContact O-N 3.42Å; I202-T205 PolarHBondContact O-OG1 3.34Å; I202-G206 PolarHBondContact O-N 3.32Å; I202-Y208 HydrophobicContact CG2-CD2 3.45Å; I202-Y208 VanDerWaalsContact CG2-CD2 3.45Å; I202-Y208 HydrophobicContact CG2-CE2 3.28Å; I202-Y208 HydrophobicContact CG2-CG 4.33Å; I202-N212 WeakPolarHBondContact CB-ND2 3.26Å; I202-N212 VanDerWaalsContact CG2-ND2 3.27Å; I202-N212 WeakPolarHBondContact CG2-ND2 3.45Å
203A96.8Very high96.7Very high22 Ų2234.8 Ų34.818%0.18219%0.193CC..Hα-helixtrans-64.4-39.3179.500000111.7M199 V200 T205 N212 E383M199-A203 VanDerWaalsContact O-CB 3.3Å; M199-A203 WeakPolarHBondContact O-CB 3.22Å; M199-A203 PolarHBondContact O-N 3.47Å; V200-A203 PolarHBondContact O-N 2.96Å; A203-T205 VanDerWaalsContact C-N 3.27Å; A203-T205 PolarHBondContact O-N 2.62Å; A203-N212 WeakPolarHBondContact CA-ND2 3.49Å; A203-N212 HydrophobicContact CB-CB 4.09Å; A203-N212 PolarHBondContact N-ND2 2.86Å; A203-E383 WeakPolarHBondContact CA-OE2 3.36Å; A203-E383 WeakPolarHBondContact CB-OE2 3.37Å
204L96.9Very high96.7Very high87 Ų8734 Ų3446%0.45518%0.18SC..Hα-helixtrans-65.5-30177.4-77.5176.4000112.5T148 L150 V200 I202T148-L204 WeakPolarHBondContact CB-O 3.27Å; T148-L204 PolarHBondContact OG1-O 3.42Å; L150-L204 WeakPolarHBondContact CB-O 3.46Å; L150-L204 HydrophobicContact CD2-CB 3.87Å; V200-L204 HydrophobicContact CG1-CD1 3.87Å; V200-L204 HydrophobicContact CG1-CG 4.28Å; V200-L204 WeakPolarHBondContact O-CB 3.48Å; V200-L204 WeakPolarHBondContact O-CG 3.45Å; V200-L204 PolarHBondContact O-N 2.97Å; I202-L204 VanDerWaalsContact C-N 3.33Å; I202-L204 PolarHBondContact O-N 3.44Å
205T97.4Very high96.6Very high17 Ų1733.5 Ų33.510%0.10418%0.175CC..Hα-helixtrans-101.7-23.6-176.7540000114.1F141 Q144 T148 L150 A151 A154 L201 I202 A203F141-T205 HydrophobicContact CD1-CG2 4.4Å; F141-T205 HydrophobicContact CE1-CG2 4.02Å; Q144-T205 PolarHBondContact OE1-O 2.88Å; T148-T205 PolarHBondContact N-O 3.1Å; T148-T205 VanDerWaalsContact OG1-C 3.3Å; T148-T205 VanDerWaalsContact OG1-CA 3.32Å; T148-T205 WeakPolarHBondContact OG1-CA 3.26Å; T148-T205 PolarHBondContact OG1-O 2.92Å; L150-T205 HydrophobicContact CD2-CG2 4.46Å; L150-T205 HydrophobicContact CG-CG2 4.39Å; A151-T205 VanDerWaalsContact CB-O 3.23Å; A151-T205 WeakPolarHBondContact CB-O 3.42Å; A154-T205 HydrophobicContact CB-CG2 4.11Å; L201-T205 PolarHBondContact O-N 3.23Å; L201-T205 PolarHBondContact O-OG1 3.11Å; I202-T205 PolarHBondContact O-N 3.42Å; I202-T205 PolarHBondContact O-OG1 3.34Å; A203-T205 VanDerWaalsContact C-N 3.27Å; A203-T205 PolarHBondContact O-N 2.62Å
206G96.4Very high96.6Very high0 Ų035.3 Ų35.30%019%0.186CC..BIsolated β-bridgetrans-146.4151178.800000112.2Q144 I202 Y208Q144-G206 VanDerWaalsContact OE1-CA 3.23Å; I202-G206 PolarHBondContact O-N 3.32Å; G206-Y208 VanDerWaalsContact O-CD2 3.25Å; G206-Y208 WeakPolarHBondContact O-CD2 3.28Å; G206-Y208 PolarHBondContact O-N 2.96Å
207N96.1Very high96.5Very high3 Ų338.4 Ų38.42%0.01621%0.205CC..  trans-90.6107.7179.4-59.9-88.4000110I146 P380 V382 E383 W391I146-N207 HydrophobicContact CB-CB 4.18Å; I146-N207 HydrophobicContact CG2-CB 4.24Å; I146-N207 PolarHBondContact O-N 3.44Å; I146-N207 PolarHBondContact O-ND2 2.9Å; N207-P380 PolarHBondContact ND2-O 2.78Å; N207-V382 HydrophobicContact CB-CG2 3.62Å; N207-V382 WeakPolarHBondContact OD1-CG2 3.45Å; N207-V382 PolarHBondContact OD1-N 3.22Å; N207-E383 PolarHBondContact OD1-N 3.31Å; N207-W391 WeakPolarHBondContact O-CZ2 3.4Å
208Y95Very high96.5Very high9 Ų933.8 Ų33.84%0.03518%0.181CC..  trans-115.333-179.4-63.8-85.2000112.2H140 Q144 I202 G206 F210 F211 N212 F339 W391H140-Y208 PolarHBondContact NE2-OH 3.38Å; Q144-Y208 PolarHBondContact NE2-OH 3.14Å; I202-Y208 HydrophobicContact CG2-CD2 3.45Å; I202-Y208 VanDerWaalsContact CG2-CD2 3.45Å; I202-Y208 HydrophobicContact CG2-CE2 3.28Å; I202-Y208 HydrophobicContact CG2-CG 4.33Å; G206-Y208 VanDerWaalsContact O-CD2 3.25Å; G206-Y208 WeakPolarHBondContact O-CD2 3.28Å; G206-Y208 PolarHBondContact O-N 2.96Å; Y208-F210 PolarHBondContact O-N 3.19Å; Y208-F211 WeakPolarHBondContact O-CB 3.14Å; Y208-F211 PolarHBondContact O-N 2.92Å; Y208-N212 WeakPolarHBondContact CB-OD1 3.15Å; Y208-F339 HydrophobicContact CD1-CE2 4.49Å; Y208-F339 AromaticContact CE1-CE2 3.57Å; Y208-F339 HydrophobicContact CE1-CE2 3.57Å; Y208-F339 AromaticContact CE1-CZ 3.77Å; Y208-F339 HydrophobicContact CE1-CZ 3.77Å; Y208-W391 AromaticContact CD1-CH2 3.75Å; Y208-W391 HydrophobicContact CD1-CH2 3.75Å; Y208-W391 AromaticContact CD1-CZ2 3.98Å; Y208-W391 HydrophobicContact CD1-CZ2 3.98Å; Y208-W391 AromaticContact CE1-CH2 3.98Å; Y208-W391 HydrophobicContact CE1-CH2 3.98Å; Y208-W391 HydrophobicContact CE1-CZ2 4.46Å
209N91.9Very high96.4Very high4 Ų433.3 Ų33.32%0.02118%0.178CC..THydrogen-bonded Turntrans57.8-121.7175.6170.235.3000112W70 E383 P384 Q386W70-N209 VanDerWaalsContact CD1-ND2 3.27Å; W70-N209 PolarHBondContact NE1-ND2 2.69Å; N209-E383 WeakPolarHBondContact O-CG 3.44Å; N209-P384 WeakPolarHBondContact O-CA 3.44Å; N209-P384 PolarHBondContact OD1-O 3Å; N209-Q386 HydrophobicContact CB-CB 3.93Å; N209-Q386 HydrophobicContact CB-CG 4.16Å; N209-Q386 WeakPolarHBondContact OD1-CB 3.42Å
210F93.6Very high96.3Very high47 Ų4735.4 Ų35.421%0.20619%0.193CC..THydrogen-bonded Turntrans-101.86.617753.7-110.2000111.6W70 L74 Y208 N212 F213 L214W70-F210 HydrophobicContact CB-CD2 4.37Å; W70-F210 HydrophobicContact CB-CE2 3.85Å; W70-F210 HydrophobicContact CB-CZ 4.47Å; W70-F210 AromaticContact CD1-CZ 3.77Å; W70-F210 HydrophobicContact CG-CE2 4.26Å; W70-F210 HydrophobicContact CG-CZ 4.44Å; W70-F210 WeakPolarHBondContact O-CE2 3.28Å; L74-F210 HydrophobicContact CB-CE2 4.04Å; L74-F210 HydrophobicContact CB-CZ 4.49Å; L74-F210 HydrophobicContact CD2-CE1 4.44Å; L74-F210 HydrophobicContact CD2-CE2 3.89Å; L74-F210 HydrophobicContact CD2-CZ 3.75Å; L74-F210 HydrophobicContact CG-CE2 4.48Å; Y208-F210 PolarHBondContact O-N 3.19Å; F210-N212 PolarHBondContact O-N 3.45Å; F210-F213 PolarHBondContact O-N 3.44Å; F210-L214 HydrophobicContact CD2-CD2 4.3Å; F210-L214 HydrophobicContact CE2-CD2 4.38Å; F210-L214 WeakPolarHBondContact O-CB 3.4Å; F210-L214 PolarHBondContact O-N 2.85Å
211F96.3Very high96.1Very high20 Ų2032.4 Ų32.49%0.08818%0.175CC..Hα-helixtrans-58.1-51.2-176.4178-105.6000111.2W70 L73 L115 M199 Y208 F213 L214 C215 L338W70-F211 HydrophobicContact CB-CB 4.04Å; W70-F211 HydrophobicContact CB-CD2 4.11Å; W70-F211 HydrophobicContact CE3-CB 4.48Å; L73-F211 HydrophobicContact CD2-CD2 3.92Å; L73-F211 HydrophobicContact CD2-CE2 3.74Å; L115-F211 HydrophobicContact CD1-CE2 4.23Å; L115-F211 HydrophobicContact CD1-CZ 4.3Å; L115-F211 HydrophobicContact CD2-CE2 4.49Å; M199-F211 HydrophobicContact SD-CE1 4.3Å; Y208-F211 WeakPolarHBondContact O-CB 3.14Å; Y208-F211 PolarHBondContact O-N 2.92Å; F211-F213 PolarHBondContact O-N 2.88Å; F211-L214 PolarHBondContact O-N 2.93Å; F211-C215 WeakPolarHBondContact CZ-SG 3.5Å; F211-C215 WeakPolarHBondContact O-CB 3.07Å; F211-C215 PolarHBondContact O-N 3.25Å; F211-C215 PolarHBondContact O-SG 3.17Å; F211-L338 HydrophobicContact CE2-CD1 4.5Å
212N96.4Very high95.9Very high4 Ų428 Ų282%0.02115%0.152CC..Hα-helixtrans-64.2-45.1-175.8-65.443.2000111M199 I202 A203 Y208 F210 C215 V216M199-N212 HydrophobicContact CB-CB 4.29Å; M199-N212 PolarHBondContact O-ND2 3.35Å; I202-N212 WeakPolarHBondContact CB-ND2 3.26Å; I202-N212 VanDerWaalsContact CG2-ND2 3.27Å; I202-N212 WeakPolarHBondContact CG2-ND2 3.45Å; A203-N212 WeakPolarHBondContact CA-ND2 3.49Å; A203-N212 HydrophobicContact CB-CB 4.09Å; A203-N212 PolarHBondContact N-ND2 2.86Å; Y208-N212 WeakPolarHBondContact CB-OD1 3.15Å; F210-N212 PolarHBondContact O-N 3.45Å; N212-C215 WeakPolarHBondContact O-CB 3.18Å; N212-C215 PolarHBondContact O-N 3.32Å; N212-V216 WeakPolarHBondContact O-CG2 3.38Å; N212-V216 PolarHBondContact O-N 2.84Å
213F94.8Very high95.6Very high118 Ų11829.3 Ų29.352%0.51816%0.159SC..Hα-helixtrans-58.5-48.6172.9-71-77.8000112.1F210 F211 C215 V216 V217 E383 P384F210-F213 PolarHBondContact O-N 3.44Å; F211-F213 PolarHBondContact O-N 2.88Å; F213-C215 VanDerWaalsContact C-N 3.34Å; F213-C215 PolarHBondContact O-N 3.26Å; F213-V216 PolarHBondContact O-N 2.94Å; F213-V217 WeakPolarHBondContact O-CG2 3.49Å; F213-V217 PolarHBondContact O-N 3.38Å; F213-E383 HydrophobicContact CD2-CG 4.4Å; F213-E383 WeakPolarHBondContact CD2-OE1 3.46Å; F213-E383 HydrophobicContact CE2-CG 3.89Å; F213-E383 WeakPolarHBondContact CE2-OE1 3.45Å; F213-P384 HydrophobicContact CD2-CB 4.3Å; F213-P384 HydrophobicContact CE2-CB 4.26Å
214L96.9Very high95Very high20 Ų2029.9 Ų29.911%0.10516%0.161CC..Hα-helixtrans-61.5-42.5179.7-179.658.4000111.4L73 L74 A77 F210 F211 V216 V217 I218L73-L214 HydrophobicContact CB-CD2 4.21Å; L73-L214 HydrophobicContact CD2-CD2 3.89Å; L73-L214 HydrophobicContact CD2-CG 4.18Å; L73-L214 HydrophobicContact CG-CD2 3.75Å; L73-L214 HydrophobicContact CG-CG 4.3Å; L74-L214 HydrophobicContact CB-CD2 3.97Å; L74-L214 HydrophobicContact CD1-CD1 4.36Å; L74-L214 HydrophobicContact CD1-CD2 4.25Å; A77-L214 HydrophobicContact CB-CD1 4.18Å; F210-L214 HydrophobicContact CD2-CD2 4.3Å; F210-L214 HydrophobicContact CE2-CD2 4.38Å; F210-L214 WeakPolarHBondContact O-CB 3.4Å; F210-L214 PolarHBondContact O-N 2.85Å; F211-L214 PolarHBondContact O-N 2.93Å; L214-V216 PolarHBondContact O-N 3.29Å; L214-V217 PolarHBondContact O-N 2.88Å; L214-I218 HydrophobicContact CD1-CD1 4.09Å; L214-I218 HydrophobicContact CD1-CG1 4.31Å; L214-I218 HydrophobicContact CG-CD1 3.91Å; L214-I218 VanDerWaalsContact O-CG1 3.27Å; L214-I218 WeakPolarHBondContact O-CG1 3.24Å; L214-I218 PolarHBondContact O-N 3.26Å
215C97.8Very high94.1Very high1 Ų130.3 Ų30.31%0.00716%0.163CC..Hα-helixtrans-58.2-46.4173.8-72.90000112L115 M116 M199 F211 N212 F213 V217 I218 C219L115-C215 VanDerWaalsContact CD2-SG 3.52Å; M116-C215 HydrophobicContact CE-CB 3.86Å; M199-C215 HydrophobicContact CG-CB 3.73Å; M199-C215 HydrophobicContact SD-CB 3.53Å; M199-C215 VanDerWaalsContact SD-CB 3.53Å; F211-C215 WeakPolarHBondContact CZ-SG 3.5Å; F211-C215 WeakPolarHBondContact O-CB 3.07Å; F211-C215 PolarHBondContact O-N 3.25Å; F211-C215 PolarHBondContact O-SG 3.17Å; N212-C215 WeakPolarHBondContact O-CB 3.18Å; N212-C215 PolarHBondContact O-N 3.32Å; F213-C215 VanDerWaalsContact C-N 3.34Å; F213-C215 PolarHBondContact O-N 3.26Å; C215-V217 PolarHBondContact O-N 2.98Å; C215-I218 PolarHBondContact O-N 3.12Å; C215-C219 VanDerWaalsContact O-CB 3.29Å; C215-C219 WeakPolarHBondContact O-CB 3.37Å; C215-C219 PolarHBondContact O-N 2.9Å; C215-C219 PolarHBondContact O-SG 3.42Å
216V97.8Very high92.8Very high39 Ų3930 Ų3024%0.23616%0.162CC..Hα-helixtrans-62.6-42.9177.4173.60000111.2F192 T196 M199 N212 F213 L214 C219 S220F192-V216 HydrophobicContact CE2-CG1 4.46Å; T196-V216 HydrophobicContact CG2-CG1 4.15Å; T196-V216 HydrophobicContact CG2-CG2 4.13Å; M199-V216 HydrophobicContact CB-CG2 3.74Å; M199-V216 HydrophobicContact CG-CG2 4.09Å; N212-V216 WeakPolarHBondContact O-CG2 3.38Å; N212-V216 PolarHBondContact O-N 2.84Å; F213-V216 PolarHBondContact O-N 2.94Å; L214-V216 PolarHBondContact O-N 3.29Å; V216-C219 PolarHBondContact O-N 3.46Å; V216-S220 PolarHBondContact O-N 2.83Å
217V96.4Very high91.3Very high95 Ų9531.7 Ų31.758%0.57617%0.174SC*.Hα-helixtrans-61-47.2175.9173.70000110.7F213 L214 C215 S220F213-V217 WeakPolarHBondContact O-CG2 3.49Å; F213-V217 PolarHBondContact O-N 3.38Å; L214-V217 PolarHBondContact O-N 2.88Å; C215-V217 PolarHBondContact O-N 2.98Å; V217-S220 WeakPolarHBondContact O-CB 3.28Å; V217-S220 PolarHBondContact O-N 3.21Å; V217-S220 PolarHBondContact O-OG 3.31Å
218I97.5Very high89.3Confident1 Ų135.9 Ų35.91%0.00519%0.192CC..Hα-helixtrans-61.6-47.5177.3-67.8165000110.5L73 A77 F108 L111 L214 C215 S220 S221L73-I218 HydrophobicContact CD1-CD1 3.77Å; L73-I218 HydrophobicContact CD2-CD1 4.17Å; L73-I218 HydrophobicContact CG-CD1 3.98Å; A77-I218 HydrophobicContact CB-CD1 4.01Å; A77-I218 HydrophobicContact CB-CG1 4.24Å; F108-I218 HydrophobicContact CD1-CG1 4.43Å; F108-I218 WeakPolarHBondContact O-CG2 3.43Å; L111-I218 HydrophobicContact CB-CG2 4.34Å; L111-I218 HydrophobicContact CD2-CD1 3.88Å; L111-I218 HydrophobicContact CD2-CG1 4.33Å; L111-I218 HydrophobicContact CD2-CG2 4.28Å; L111-I218 HydrophobicContact CG-CD1 4.34Å; L111-I218 HydrophobicContact CG-CG2 4.1Å; L214-I218 HydrophobicContact CD1-CD1 4.09Å; L214-I218 HydrophobicContact CD1-CG1 4.31Å; L214-I218 HydrophobicContact CG-CD1 3.91Å; L214-I218 VanDerWaalsContact O-CG1 3.27Å; L214-I218 WeakPolarHBondContact O-CG1 3.24Å; L214-I218 PolarHBondContact O-N 3.26Å; C215-I218 PolarHBondContact O-N 3.12Å; I218-S220 PolarHBondContact O-N 2.84Å; I218-S221 VanDerWaalsContact O-CB 3.28Å; I218-S221 WeakPolarHBondContact O-CB 2.95Å; I218-S221 PolarHBondContact O-N 3.19Å; I218-S221 VanDerWaalsContact O-N 3.15Å; I218-S221 PolarHBondContact O-OG 3.42Å
219C97.1Very high87.1Confident1 Ų138.7 Ų38.71%0.00721%0.213CC..Hα-helixtrans-64.6-25.5179.6-72.60000112.8M180 F192 Q195 C215 V216 S221 A222M180-C219 HydrophobicContact CE-CB 4.42Å; F192-C219 HydrophobicContact CD2-CB 4.2Å; F192-C219 WeakPolarHBondContact CD2-O 3.45Å; Q195-C219 HydrophobicContact CB-CB 4.35Å; C215-C219 VanDerWaalsContact O-CB 3.29Å; C215-C219 WeakPolarHBondContact O-CB 3.37Å; C215-C219 PolarHBondContact O-N 2.9Å; C215-C219 PolarHBondContact O-SG 3.42Å; V216-C219 PolarHBondContact O-N 3.46Å; C219-S221 PolarHBondContact O-N 3.47Å; C219-S221 VanDerWaalsContact O-N 3.1Å; C219-A222 VanDerWaalsContact O-CB 3.28Å; C219-A222 WeakPolarHBondContact O-CB 3.21Å; C219-A222 PolarHBondContact O-N 3.47Å
220S95.3Very high84.8Confident49 Ų4949.8 Ų49.834%0.34326%0.255SS..G310 helixtrans-61.3-18.4175.780.10000113.3V216 V217 I218 A222 L223V216-S220 PolarHBondContact O-N 2.83Å; V217-S220 WeakPolarHBondContact O-CB 3.28Å; V217-S220 PolarHBondContact O-N 3.21Å; V217-S220 PolarHBondContact O-OG 3.31Å; I218-S220 PolarHBondContact O-N 2.84Å; S220-A222 PolarHBondContact O-N 3.07Å; S220-A222 VanDerWaalsContact O-N 3.14Å; S220-L223 VanDerWaalsContact O-CB 3.26Å; S220-L223 WeakPolarHBondContact O-CB 3.15Å; S220-L223 PolarHBondContact O-N 2.8Å
221S94.2Very high82.2Confident6 Ų650.9 Ų50.94%0.04227%0.265CS..G310 helixtrans-57.5-23.7170.463.90000113.5R109 I218 C219 L223 V224R109-S221 WeakPolarHBondContact CA-OG 3.33Å; R109-S221 VanDerWaalsContact CG-OG 3.3Å; R109-S221 WeakPolarHBondContact CG-OG 3.2Å; R109-S221 PolarHBondContact N-OG 3.21Å; I218-S221 VanDerWaalsContact O-CB 3.28Å; I218-S221 WeakPolarHBondContact O-CB 2.95Å; I218-S221 PolarHBondContact O-N 3.19Å; I218-S221 VanDerWaalsContact O-N 3.15Å; I218-S221 PolarHBondContact O-OG 3.42Å; C219-S221 PolarHBondContact O-N 3.47Å; C219-S221 VanDerWaalsContact O-N 3.1Å; S221-L223 PolarHBondContact O-N 2.82Å; S221-V224 PolarHBondContact O-N 3.09Å
222A93.2Very high79.3Confident0 Ų058 Ų580%030%0.304CS..G310 helixtrans-67.8-2317400000113.6M180 R188 F192 C219 S220 V224M180-A222 HydrophobicContact CE-CB 3.67Å; M180-A222 HydrophobicContact SD-CB 3.57Å; M180-A222 VanDerWaalsContact SD-CB 3.57Å; R188-A222 HydrophobicContact CB-CB 4.09Å; R188-A222 WeakPolarHBondContact CB-O 3.46Å; R188-A222 PolarHBondContact NE-O 3.31Å; R188-A222 VanDerWaalsContact NE-O 3.12Å; F192-A222 HydrophobicContact CB-CB 4.3Å; C219-A222 VanDerWaalsContact O-CB 3.28Å; C219-A222 WeakPolarHBondContact O-CB 3.21Å; C219-A222 PolarHBondContact O-N 3.47Å; S220-A222 PolarHBondContact O-N 3.07Å; S220-A222 VanDerWaalsContact O-N 3.14Å; A222-V224 PolarHBondContact O-N 3.28Å
223L90.7Very high76.6Confident73 Ų7362.2 Ų62.238%0.38233%0.326SS..G310 helixtrans-74.6-11.9178.1-60.2180000113Y189 F192 S220 S221Y189-L223 HydrophobicContact CD1-CD2 3.65Å; Y189-L223 HydrophobicContact CE1-CD2 3.98Å; Y189-L223 HydrophobicContact CG-CD2 4.42Å; F192-L223 HydrophobicContact CB-CD2 4.05Å; F192-L223 HydrophobicContact CB-CG 4.47Å; F192-L223 HydrophobicContact CD1-CD1 3.96Å; F192-L223 HydrophobicContact CD1-CD2 3.57Å; F192-L223 HydrophobicContact CD1-CG 3.97Å; F192-L223 HydrophobicContact CD2-CD1 4.37Å; F192-L223 HydrophobicContact CD2-CG 4.24Å; F192-L223 HydrophobicContact CE1-CD1 3.73Å; F192-L223 HydrophobicContact CE1-CD2 4.17Å; F192-L223 HydrophobicContact CE1-CG 4.27Å; F192-L223 HydrophobicContact CE2-CD1 4.17Å; F192-L223 HydrophobicContact CG-CD1 4.26Å; F192-L223 HydrophobicContact CG-CD2 3.79Å; F192-L223 HydrophobicContact CG-CG 3.94Å; F192-L223 HydrophobicContact CZ-CD1 3.85Å; S220-L223 VanDerWaalsContact O-CB 3.26Å; S220-L223 WeakPolarHBondContact O-CB 3.15Å; S220-L223 PolarHBondContact O-N 2.8Å; S221-L223 PolarHBondContact O-N 2.82Å
224V84.4Confident73.7Confident34 Ų3465.5 Ų65.521%0.20634%0.343CS..SBendtrans-83.1138.1178.7-179.10000110.7W97 L105 R188 S221 A222 S226W97-V224 HydrophobicContact CH2-CB 4.45Å; W97-V224 HydrophobicContact CH2-CG1 3.31Å; W97-V224 HydrophobicContact CH2-CG2 4.32Å; W97-V224 HydrophobicContact CZ2-CG1 3.34Å; L105-V224 HydrophobicContact CD1-CB 4.19Å; L105-V224 HydrophobicContact CD1-CG1 3.73Å; L105-V224 HydrophobicContact CD1-CG2 4.05Å; R188-V224 PolarHBondContact NH2-O 3.36Å; S221-V224 PolarHBondContact O-N 3.09Å; A222-V224 PolarHBondContact O-N 3.28Å; V224-S226 PolarHBondContact O-N 3.03Å
225D77.1Confident70.8Confident95 Ų9569.2 Ų69.251%0.50836%0.362SS..PPolyproline II helixtrans-66.5121.8175.1-75-35.7000111.5N102N102-D225 PolarHBondContact ND2-O 2.99Å
226S69.9Low67.8Low11 Ų1173 Ų738%0.07739%0.394CS..PPolyproline II helixtrans-66.5153.3166.847.10000111P183 R188 V224 F228 E260P183-S226 PolarHBondContact O-OG 2.91Å; R188-S226 PolarHBondContact NH1-OG 3.31Å; R188-S226 PolarHBondContact NH2-OG 3.32Å; V224-S226 PolarHBondContact O-N 3.03Å; S226-F228 WeakPolarHBondContact CB-O 3.43Å; S226-F228 PolarHBondContact O-N 3.3Å; S226-F228 PolarHBondContact OG-O 3.36Å; S226-E260 WeakPolarHBondContact CA-OE1 3.38Å; S226-E260 WeakPolarHBondContact CB-OE1 3.29Å
227S65.7Low64.7Low36 Ų3680.6 Ų80.625%0.25242%0.424SS..SBendtrans-67.6-20.3176.8-80.50000112.4N102 E260 A263N102-S227 PolarHBondContact ND2-N 2.93Å; N102-S227 VanDerWaalsContact ND2-N 3.16Å; N102-S227 PolarHBondContact ND2-OG 3.16Å; S227-E260 WeakPolarHBondContact CB-OE2 3.19Å; S227-E260 PolarHBondContact N-OE2 3.15Å; S227-A263 VanDerWaalsContact CB-CB 3.49Å
228F54.3Low61.7Low90 Ų9081.9 Ų81.940%0.39542%0.421SS..  trans-115.9110.9170.5-64.4-82.7000109.2P183 S226 S259 A263P183-F228 WeakPolarHBondContact CB-O 3.37Å; S226-F228 WeakPolarHBondContact CB-O 3.43Å; S226-F228 PolarHBondContact O-N 3.3Å; S226-F228 PolarHBondContact OG-O 3.36Å; F228-S259 WeakPolarHBondContact CE2-O 3.47Å; F228-A263 HydrophobicContact CD2-CB 4.39Å; F228-A263 HydrophobicContact CE2-CB 3.69Å; F228-A263 HydrophobicContact CZ-CB 4.34Å
229S48.6Very low58.6Low69 Ų6987.1 Ų87.148%0.48345%0.446SS..  trans-113.813.8170.381.90000113.8P183P183-S229 WeakPolarHBondContact O-CA 3.32Å
230R42.9Very low56.2Low237 Ų23792.1 Ų92.189%0.89448%0.478SS*.  trans-120.717.8-171.7-95.9-170.7174.7175.9-1.1116.1
231T39.6Very low54.6Low70 Ų7094.1 Ų94.143%0.42949%0.485SS..  trans-100.3112.3173.310.90000110.4P183P183-T231 VanDerWaalsContact CG-O 3.27Å; P183-T231 WeakPolarHBondContact CG-O 3.35Å
232D34.1Very low53.1Low168 Ų16895.3 Ų95.390%0.89849%0.492SS*.  trans-77.1115.7165.6-65.5-43000108.1
233I39.5Very low51.8Low93 Ų9397.6 Ų97.648%0.47751%0.506SS..  trans-113.5118.4168.8-62.2176000106.3L235 L252 M256I233-L235 PolarHBondContact O-N 3.26Å; I233-L252 HydrophobicContact CD1-CD1 4.09Å; I233-M256 HydrophobicContact CD1-CE 4.13Å
234E34.6Very low51Low187 Ų187102.6 Ų102.687%0.87452%0.52SS*.  trans-67.2121.4172.2-70.7-169.3159.400109.8A236E234-A236 PolarHBondContact O-N 3.42Å; E234-A236 VanDerWaalsContact O-N 3.14Å
235L36.7Very low50.8Low98 Ų98104 Ų10451%0.51352%0.522SS..  trans-70.2108.3176.1-139.983.8000108.4F175 F179 I233F175-L235 HydrophobicContact CE2-CD2 3.5Å; F175-L235 VanDerWaalsContact CE2-CD2 3.5Å; F175-L235 HydrophobicContact CZ-CD2 3.85Å; F179-L235 HydrophobicContact CE1-CD2 4.17Å; I233-L235 PolarHBondContact O-N 3.26Å
236A35.3Very low51.2Low81 Ų8199.7 Ų99.767%0.66950%0.499SS*.PPolyproline II helixtrans-57.1142.9179.400000112.1E234 F238E234-A236 PolarHBondContact O-N 3.42Å; E234-A236 VanDerWaalsContact O-N 3.14Å; A236-F238 PolarHBondContact O-N 2.91Å
237K32.2Very low51.9Low199 Ų199101.5 Ų101.587%0.86551%0.51SS*.PPolyproline II helixtrans-57.8128.2-177.4-64176.1-179.4176.30111.5Y245K237-Y245 PolarHBondContact O-OH 2.75Å
238F32.8Very low53Low121 Ų121108.1 Ų108.153%0.53153%0.53SS..PPolyproline II helixtrans-76.2132.9-174.6-132.6-98.1000111.9A236A236-F238 PolarHBondContact O-N 2.91Å
239H33.1Very low54.6Low111 Ų111104.6 Ų104.651%0.51452%0.516SS..  trans-120.6147.7169.5-161.5-79.4000109.6N241 Y245H239-N241 PolarHBondContact O-N 3.31Å; H239-Y245 HydrophobicContact CB-CE2 4.21Å; H239-Y245 VanDerWaalsContact CB-OH 3.3Å; H239-Y245 WeakPolarHBondContact CB-OH 3.36Å; H239-Y245 PolarHBondContact N-OH 3.21Å; H239-Y245 WeakPolarHBondContact O-CE2 3.17Å
240P46.9Very low56.5Low106 Ų106102.1 Ų102.169%0.68850%0.497SS*.SBendtrans-63.88.1-168.517.9-33.3000119.7
241N60Low58.8Low92 Ų9294.7 Ų94.749%0.49247%0.474SS..  trans-102.284.4172.9-70.8-3.1000110.1H239 T243 R244H239-N241 PolarHBondContact O-N 3.31Å; N241-T243 PolarHBondContact O-N 2.95Å; N241-T243 VanDerWaalsContact O-N 3.13Å; N241-R244 HydrophobicContact CB-CB 4.32Å; N241-R244 WeakPolarHBondContact O-CB 3.23Å; N241-R244 PolarHBondContact O-N 3.41Å
242V63.1Low61.2Low31 Ų3193.5 Ų93.519%0.18847%0.465CS..Hα-helixtrans-52.9-35.6-177.5179.80000112.3F117 V121 R244 Y245F117-V242 HydrophobicContact CZ-CG1 4.47Å; V121-V242 HydrophobicContact CG1-CG1 4.02Å; V121-V242 HydrophobicContact CG2-CG1 3.89Å; V242-R244 VanDerWaalsContact C-N 3.35Å; V242-R244 PolarHBondContact O-N 2.9Å; V242-Y245 PolarHBondContact O-N 2.94Å
243T67.2Low63.9Low47 Ų4785.5 Ų85.529%0.28842%0.422SS..Hα-helixtrans-61.7-3617952.10000113.6L125 N241 Y245 L246 D309L125-T243 HydrophobicContact CD2-CG2 4.06Å; N241-T243 PolarHBondContact O-N 2.95Å; N241-T243 VanDerWaalsContact O-N 3.13Å; T243-Y245 PolarHBondContact O-N 3.45Å; T243-L246 PolarHBondContact O-N 3.39Å; T243-D309 HydrophobicContact CG2-CB 4.22Å
244R73.7Confident66.5Low179 Ų17983.6 Ų83.668%0.67541%0.412SS*.Hα-helixtrans-62.9-24.7179.2179.2177.7-93.5-178.8-5.9112.6N241 V242N241-R244 HydrophobicContact CB-CB 4.32Å; N241-R244 WeakPolarHBondContact O-CB 3.23Å; N241-R244 PolarHBondContact O-N 3.41Å; V242-R244 VanDerWaalsContact C-N 3.35Å; V242-R244 PolarHBondContact O-N 2.9Å
245Y78.9Confident69.2Low64 Ų6477.7 Ų77.725%0.25139%0.389SS..Hα-helixtrans-93.7-10.3-178.5-64.3-79.8000113.9K237 H239 V242 T243 P247 W248 V249K237-Y245 PolarHBondContact O-OH 2.75Å; H239-Y245 HydrophobicContact CB-CE2 4.21Å; H239-Y245 VanDerWaalsContact CB-OH 3.3Å; H239-Y245 WeakPolarHBondContact CB-OH 3.36Å; H239-Y245 PolarHBondContact N-OH 3.21Å; H239-Y245 WeakPolarHBondContact O-CE2 3.17Å; V242-Y245 PolarHBondContact O-N 2.94Å; T243-Y245 PolarHBondContact O-N 3.45Å; Y245-P247 VanDerWaalsContact C-N 3.35Å; Y245-W248 WeakPolarHBondContact O-CB 3.35Å; Y245-W248 PolarHBondContact O-N 3.41Å; Y245-V249 WeakPolarHBondContact O-CG2 3.44Å; Y245-V249 PolarHBondContact O-N 2.9Å
246L85.5Confident71.8Confident3 Ų374.3 Ų74.32%0.01637%0.371CS..Hα-helixtrans-55.7-43.2-177.7-16867.7000112.9F117 T243 W248 V249 M250 L305 I308 D309 T312F117-L246 HydrophobicContact CE1-CD1 3.82Å; F117-L246 HydrophobicContact CZ-CD1 4.4Å; T243-L246 PolarHBondContact O-N 3.39Å; L246-W248 VanDerWaalsContact C-N 3.29Å; L246-W248 PolarHBondContact O-N 3.18Å; L246-V249 PolarHBondContact O-N 3.45Å; L246-M250 HydrophobicContact CG-SD 4.38Å; L246-M250 WeakPolarHBondContact O-CG 3.24Å; L246-M250 PolarHBondContact O-N 2.89Å; L246-L305 HydrophobicContact CD1-CD1 4.16Å; L246-L305 HydrophobicContact CD1-CD2 4.21Å; L246-L305 HydrophobicContact CD1-CG 3.95Å; L246-I308 HydrophobicContact CD2-CB 4.36Å; L246-D309 HydrophobicContact CD2-CB 3.64Å; L246-T312 HydrophobicContact CD2-CG2 4.36Å
247P86Confident74.7Confident49 Ų4970.5 Ų70.532%0.31834%0.339SS..Hα-helixtrans-60.2-37.1175.8-24.935.6000113.3Y245 M250 L251Y245-P247 VanDerWaalsContact C-N 3.35Å; P247-M250 PolarHBondContact O-N 3Å; P247-L251 WeakPolarHBondContact O-CB 3.32Å; P247-L251 PolarHBondContact O-N 2.91Å
248W87.6Confident77.7Confident175 Ų17565.3 Ų65.366%0.66332%0.317SS*.Hα-helixtrans-70.4-38.4178.1-63.6106.1000112.1Y245 L246 L251 L252Y245-W248 WeakPolarHBondContact O-CB 3.35Å; Y245-W248 PolarHBondContact O-N 3.41Å; L246-W248 VanDerWaalsContact C-N 3.29Å; L246-W248 PolarHBondContact O-N 3.18Å; W248-L251 HydrophobicContact CE3-CD2 4.02Å; W248-L251 HydrophobicContact CZ3-CD2 4.05Å; W248-L251 PolarHBondContact O-N 2.96Å; W248-L252 WeakPolarHBondContact O-CB 3.46Å; W248-L252 PolarHBondContact O-N 3.34Å
249V87.3Confident80.5Confident17 Ų1760.8 Ų60.810%0.10330%0.3CS..Hα-helixtrans-65.8-40.7174.4177.10000110.8F113 L178 Y245 L246 L252 G253F113-V249 HydrophobicContact CE1-CG1 4.12Å; F113-V249 HydrophobicContact CE2-CG1 3.87Å; F113-V249 HydrophobicContact CZ-CG1 3.31Å; L178-V249 HydrophobicContact CD2-CB 4.38Å; L178-V249 HydrophobicContact CD2-CG1 3.62Å; L178-V249 HydrophobicContact CD2-CG2 3.77Å; Y245-V249 WeakPolarHBondContact O-CG2 3.44Å; Y245-V249 PolarHBondContact O-N 2.9Å; L246-V249 PolarHBondContact O-N 3.45Å; V249-L252 PolarHBondContact O-N 3.21Å; V249-G253 PolarHBondContact O-N 3.5Å
250M89.3Confident83.3Confident16 Ų1655.7 Ų55.78%0.07928%0.277CS..Hα-helixtrans-63.4-44.2172.9-71.7178.973.600111.7L246 P247 L252 G253 I254 L302 L305 T306 T312 I316L246-M250 HydrophobicContact CG-SD 4.38Å; L246-M250 WeakPolarHBondContact O-CG 3.24Å; L246-M250 PolarHBondContact O-N 2.89Å; P247-M250 PolarHBondContact O-N 3Å; M250-L252 VanDerWaalsContact C-N 3.33Å; M250-L252 PolarHBondContact O-N 3.45Å; M250-G253 PolarHBondContact O-N 2.98Å; M250-G253 VanDerWaalsContact O-N 3.15Å; M250-I254 WeakPolarHBondContact O-CB 3.46Å; M250-I254 WeakPolarHBondContact O-CD1 3.35Å; M250-I254 WeakPolarHBondContact O-CG1 3.49Å; M250-I254 PolarHBondContact O-N 3.18Å; M250-L302 HydrophobicContact CE-CB 3.89Å; M250-L302 HydrophobicContact CE-CD2 3.85Å; M250-L302 HydrophobicContact CE-CG 4.37Å; M250-L305 HydrophobicContact CG-CD2 3.77Å; M250-L305 HydrophobicContact SD-CD2 4.47Å; M250-T306 HydrophobicContact CE-CG2 3.77Å; M250-T306 HydrophobicContact SD-CG2 4.01Å; M250-T312 HydrophobicContact CE-CG2 4.45Å; M250-T312 HydrophobicContact SD-CG2 3.54Å; M250-T312 VanDerWaalsContact SD-CG2 3.54Å; M250-I316 HydrophobicContact CE-CD1 4.46Å
251L90.8Very high85.6Confident82 Ų8251.7 Ų51.743%0.42925%0.25SS..Hα-helixtrans-60.9-41.4175.8-177.562.3000111.6P247 W248 I254 T255P247-L251 WeakPolarHBondContact O-CB 3.32Å; P247-L251 PolarHBondContact O-N 2.91Å; W248-L251 HydrophobicContact CE3-CD2 4.02Å; W248-L251 HydrophobicContact CZ3-CD2 4.05Å; W248-L251 PolarHBondContact O-N 2.96Å; L251-I254 PolarHBondContact O-N 3.45Å; L251-T255 HydrophobicContact CD1-CG2 4.1Å; L251-T255 HydrophobicContact CG-CG2 4.35Å; L251-T255 WeakPolarHBondContact O-CB 3.42Å; L251-T255 VanDerWaalsContact O-CG2 3.23Å; L251-T255 WeakPolarHBondContact O-CG2 3.47Å; L251-T255 PolarHBondContact O-N 3.27Å; L251-T255 PolarHBondContact O-OG1 2.89Å
252L90.3Very high87.2Confident45 Ų4552 Ų5224%0.23625%0.251CS..Hα-helixtrans-59.7-47.1172.4178.865.5000111I233 W248 V249 M250 I254 T255 M256I233-L252 HydrophobicContact CD1-CD1 4.09Å; W248-L252 WeakPolarHBondContact O-CB 3.46Å; W248-L252 PolarHBondContact O-N 3.34Å; V249-L252 PolarHBondContact O-N 3.21Å; M250-L252 VanDerWaalsContact C-N 3.33Å; M250-L252 PolarHBondContact O-N 3.45Å; L252-I254 PolarHBondContact O-N 2.9Å; L252-T255 WeakPolarHBondContact CA-OG1 3.49Å; L252-T255 PolarHBondContact O-N 3.09Å; L252-T255 PolarHBondContact O-OG1 3.02Å; L252-M256 HydrophobicContact CD1-CE 4.44Å; L252-M256 HydrophobicContact CD1-CG 4.02Å; L252-M256 HydrophobicContact CG-CG 4.44Å; L252-M256 WeakPolarHBondContact O-CB 3.3Å; L252-M256 WeakPolarHBondContact O-CG 3.49Å; L252-M256 PolarHBondContact O-N 3.17Å
253G91Very high88.5Confident0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-58.4-46.7175.600000112.9F106 V249 M250 F257F106-G253 WeakPolarHBondContact CZ-O 3.28Å; V249-G253 PolarHBondContact O-N 3.5Å; M250-G253 PolarHBondContact O-N 2.98Å; M250-G253 VanDerWaalsContact O-N 3.15Å; G253-F257 WeakPolarHBondContact O-CB 3.46Å; G253-F257 PolarHBondContact O-N 2.9Å
254I93.8Very high89.7Confident52 Ų5248.6 Ų48.627%0.26723%0.231SC..Hα-helixtrans-62-50.9179.2-69.7162.6000110.6M250 L251 L252 M256 F257 F258 F298 L302M250-I254 WeakPolarHBondContact O-CB 3.46Å; M250-I254 WeakPolarHBondContact O-CD1 3.35Å; M250-I254 WeakPolarHBondContact O-CG1 3.49Å; M250-I254 PolarHBondContact O-N 3.18Å; L251-I254 PolarHBondContact O-N 3.45Å; L252-I254 PolarHBondContact O-N 2.9Å; I254-M256 PolarHBondContact O-N 3.11Å; I254-F257 PolarHBondContact O-N 3.08Å; I254-F258 HydrophobicContact CG2-CD2 3.74Å; I254-F258 HydrophobicContact CG2-CE2 3.92Å; I254-F258 VanDerWaalsContact O-CD2 3.3Å; I254-F258 WeakPolarHBondContact O-CD2 3.38Å; I254-F258 PolarHBondContact O-N 3.02Å; I254-F298 HydrophobicContact CB-CE1 4.38Å; I254-F298 HydrophobicContact CG1-CE1 3.84Å; I254-F298 HydrophobicContact CG1-CZ 4.1Å; I254-L302 HydrophobicContact CD1-CD1 4.23Å; I254-L302 HydrophobicContact CD1-CD2 4.49Å; I254-L302 HydrophobicContact CG1-CD1 4.2Å; I254-L302 HydrophobicContact CG1-CD2 4.23Å
255T92.4Very high90.6Very high64 Ų6442.9 Ų42.939%0.39321%0.213SC..Hα-helixtrans-61.9-43.6-179.151.80000111.6L251 L252 S259L251-T255 HydrophobicContact CD1-CG2 4.1Å; L251-T255 HydrophobicContact CG-CG2 4.35Å; L251-T255 WeakPolarHBondContact O-CB 3.42Å; L251-T255 VanDerWaalsContact O-CG2 3.23Å; L251-T255 WeakPolarHBondContact O-CG2 3.47Å; L251-T255 PolarHBondContact O-N 3.27Å; L251-T255 PolarHBondContact O-OG1 2.89Å; L252-T255 WeakPolarHBondContact CA-OG1 3.49Å; L252-T255 PolarHBondContact O-N 3.09Å; L252-T255 PolarHBondContact O-OG1 3.02Å; T255-S259 WeakPolarHBondContact O-CB 3.2Å; T255-S259 PolarHBondContact O-N 2.86Å
256M91.4Very high91.2Very high27 Ų2744.8 Ų44.813%0.13323%0.227CC..Hα-helixtrans-66.2-41.2176.8-64.9-63103.500111.8F106 P183 I233 L252 I254 S259 E260F106-M256 HydrophobicContact CE2-CB 3.47Å; F106-M256 VanDerWaalsContact CE2-CB 3.47Å; F106-M256 HydrophobicContact CZ-CB 3.73Å; P183-M256 HydrophobicContact CG-SD 4.46Å; I233-M256 HydrophobicContact CD1-CE 4.13Å; L252-M256 HydrophobicContact CD1-CE 4.44Å; L252-M256 HydrophobicContact CD1-CG 4.02Å; L252-M256 HydrophobicContact CG-CG 4.44Å; L252-M256 WeakPolarHBondContact O-CB 3.3Å; L252-M256 WeakPolarHBondContact O-CG 3.49Å; L252-M256 PolarHBondContact O-N 3.17Å; I254-M256 PolarHBondContact O-N 3.11Å; M256-S259 PolarHBondContact O-N 2.75Å; M256-S259 PolarHBondContact O-OG 3.14Å; M256-E260 PolarHBondContact O-N 3.37Å
257F94.6Very high91.3Very high0 Ų049.2 Ų49.20%024%0.243CC..Hα-helixtrans-59.5-53.4176177.7-105000112V103 F106 L107 G253 I254 S259 E260 V261 A294 T295 F298V103-F257 HydrophobicContact CG1-CE2 3.66Å; V103-F257 HydrophobicContact CG1-CZ 3.95Å; F106-F257 HydrophobicContact CD1-CB 3.9Å; F106-F257 AromaticContact CD1-CD2 3.57Å; F106-F257 HydrophobicContact CD1-CD2 3.57Å; F106-F257 HydrophobicContact CD1-CG 4.22Å; F106-F257 HydrophobicContact CE1-CB 3.56Å; F106-F257 HydrophobicContact CE1-CD2 4.08Å; F106-F257 HydrophobicContact CE1-CG 4.3Å; F106-F257 HydrophobicContact CG-CD2 4.32Å; F106-F257 HydrophobicContact CZ-CB 4.14Å; L107-F257 HydrophobicContact CD2-CD2 4.25Å; L107-F257 HydrophobicContact CD2-CE2 3.72Å; L107-F257 HydrophobicContact CG-CE2 4.43Å; G253-F257 WeakPolarHBondContact O-CB 3.46Å; G253-F257 PolarHBondContact O-N 2.9Å; I254-F257 PolarHBondContact O-N 3.08Å; F257-S259 PolarHBondContact O-N 3.15Å; F257-E260 PolarHBondContact O-N 3.23Å; F257-E260 VanDerWaalsContact O-N 3.08Å; F257-V261 HydrophobicContact CD1-CG2 4.26Å; F257-V261 HydrophobicContact CE1-CG2 3.77Å; F257-V261 HydrophobicContact CE2-CG2 4.41Å; F257-V261 HydrophobicContact CZ-CG2 3.86Å; F257-V261 PolarHBondContact O-N 3.38Å; F257-V261 VanDerWaalsContact O-N 3.09Å; F257-A294 HydrophobicContact CE2-CB 4.42Å; F257-A294 HydrophobicContact CZ-CB 4.19Å; F257-T295 HydrophobicContact CE1-CG2 4.22Å; F257-F298 HydrophobicContact CB-CD1 4.27Å; F257-F298 HydrophobicContact CB-CD2 4.3Å; F257-F298 HydrophobicContact CB-CE1 3.96Å; F257-F298 HydrophobicContact CB-CE2 4.01Å; F257-F298 HydrophobicContact CB-CG 4.43Å; F257-F298 HydrophobicContact CB-CZ 3.83Å; F257-F298 HydrophobicContact CD1-CB 4.31Å; F257-F298 AromaticContact CD1-CD1 3.58Å; F257-F298 HydrophobicContact CD1-CD1 3.58Å; F257-F298 AromaticContact CD1-CE1 3.99Å; F257-F298 HydrophobicContact CD1-CE1 3.99Å; F257-F298 AromaticContact CD1-CG 3.88Å; F257-F298 HydrophobicContact CD1-CG 3.88Å; F257-F298 HydrophobicContact CD2-CB 4.33Å; F257-F298 HydrophobicContact CD2-CD1 4.49Å; F257-F298 HydrophobicContact CD2-CD2 4.03Å; F257-F298 HydrophobicContact CD2-CG 4.02Å; F257-F298 HydrophobicContact CE1-CB 4.05Å; F257-F298 HydrophobicContact CE1-CD1 4.04Å; F257-F298 HydrophobicContact CE1-CG 4.13Å; F257-F298 HydrophobicContact CE2-CB 4.06Å; F257-F298 HydrophobicContact CE2-CG 4.25Å; F257-F298 HydrophobicContact CG-CB 4.45Å; F257-F298 AromaticContact CG-CD1 3.84Å; F257-F298 HydrophobicContact CG-CD1 3.84Å; F257-F298 HydrophobicContact CG-CD2 4.02Å; F257-F298 HydrophobicContact CG-CE1 4.05Å; F257-F298 HydrophobicContact CG-CE2 4.23Å; F257-F298 AromaticContact CG-CG 3.82Å; F257-F298 HydrophobicContact CG-CG 3.82Å; F257-F298 HydrophobicContact CG-CZ 4.25Å; F257-F298 HydrophobicContact CZ-CB 3.92Å; F257-F298 HydrophobicContact CZ-CG 4.31Å
258F94.9Very high91.4Very high90 Ų9048.4 Ų48.440%0.39524%0.236SC..Hα-helixtrans-65.7-27.8-179.8-80.4-73.9000112.5I254 V261 I262 T295I254-F258 HydrophobicContact CG2-CD2 3.74Å; I254-F258 HydrophobicContact CG2-CE2 3.92Å; I254-F258 VanDerWaalsContact O-CD2 3.3Å; I254-F258 WeakPolarHBondContact O-CD2 3.38Å; I254-F258 PolarHBondContact O-N 3.02Å; F258-V261 PolarHBondContact O-N 3.32Å; F258-I262 VanDerWaalsContact O-CG1 3.28Å; F258-I262 WeakPolarHBondContact O-CG1 3.48Å; F258-I262 PolarHBondContact O-N 3.45Å; F258-T295 HydrophobicContact CE1-CG2 4.25Å; F258-T295 HydrophobicContact CZ-CG2 4.07Å
259S92.4Very high91.2Very high26 Ų2649.3 Ų49.318%0.18224%0.239CC..Hα-helixtrans-61.4-43.6170.982.20000111.8F228 T255 M256 F257 V261 I262 A263F228-S259 WeakPolarHBondContact CE2-O 3.47Å; T255-S259 WeakPolarHBondContact O-CB 3.2Å; T255-S259 PolarHBondContact O-N 2.86Å; M256-S259 PolarHBondContact O-N 2.75Å; M256-S259 PolarHBondContact O-OG 3.14Å; F257-S259 PolarHBondContact O-N 3.15Å; S259-V261 VanDerWaalsContact C-N 3.34Å; S259-V261 PolarHBondContact O-N 3.23Å; S259-I262 PolarHBondContact O-N 3.11Å; S259-A263 WeakPolarHBondContact O-CB 3.42Å; S259-A263 PolarHBondContact O-N 2.84Å
260E93Very high91.2Very high5 Ų552.5 Ų52.52%0.02326%0.262CS..Hα-helixtrans-67.4-35.5177-62.3-75.9-170.200111.1N102 V103 F106 R109 S226 S227 M256 F257 A263 A264N102-E260 WeakPolarHBondContact CB-OE2 3.39Å; N102-E260 PolarHBondContact ND2-OE2 2.7Å; V103-E260 HydrophobicContact CG2-CB 4.26Å; V103-E260 WeakPolarHBondContact CG2-O 3.48Å; F106-E260 HydrophobicContact CB-CG 4.39Å; F106-E260 HydrophobicContact CD2-CG 4.23Å; R109-E260 IonicContact CZ-OE1 2.93Å; R109-E260 IonicContact NH2-OE1 3.25Å; R109-E260 PolarHBondContact NH2-OE1 2.99Å; S226-E260 WeakPolarHBondContact CA-OE1 3.38Å; S226-E260 WeakPolarHBondContact CB-OE1 3.29Å; S227-E260 WeakPolarHBondContact CB-OE2 3.19Å; S227-E260 PolarHBondContact N-OE2 3.15Å; M256-E260 PolarHBondContact O-N 3.37Å; F257-E260 PolarHBondContact O-N 3.23Å; F257-E260 VanDerWaalsContact O-N 3.08Å; E260-A263 PolarHBondContact O-N 3.01Å; E260-A264 WeakPolarHBondContact O-CB 3.32Å; E260-A264 PolarHBondContact O-N 2.64Å
261V94Very high91Very high21 Ų2154.4 Ų54.413%0.12727%0.273CS..Hα-helixtrans-62.7-47.5173.8175.80000110.9V103 F257 F258 S259 A263 A264 M265 C291V103-V261 HydrophobicContact CG1-CG2 3.83Å; V103-V261 HydrophobicContact CG2-CG2 4.25Å; F257-V261 HydrophobicContact CD1-CG2 4.26Å; F257-V261 HydrophobicContact CE1-CG2 3.77Å; F257-V261 HydrophobicContact CE2-CG2 4.41Å; F257-V261 HydrophobicContact CZ-CG2 3.86Å; F257-V261 PolarHBondContact O-N 3.38Å; F257-V261 VanDerWaalsContact O-N 3.09Å; F258-V261 PolarHBondContact O-N 3.32Å; S259-V261 VanDerWaalsContact C-N 3.34Å; S259-V261 PolarHBondContact O-N 3.23Å; V261-A263 PolarHBondContact O-N 2.71Å; V261-A264 WeakPolarHBondContact O-CB 3.4Å; V261-A264 PolarHBondContact O-N 3.23Å; V261-M265 WeakPolarHBondContact O-CG 3.37Å; V261-M265 PolarHBondContact O-N 2.79Å; V261-C291 HydrophobicContact CG1-CB 4.4Å
262I93.6Very high90.7Very high99 Ų9950.8 Ų50.851%0.50825%0.254SS..Hα-helixtrans-61.9-45176.9-68.5165.4000110.2F258 S259 A264 M265 L266F258-I262 VanDerWaalsContact O-CG1 3.28Å; F258-I262 WeakPolarHBondContact O-CG1 3.48Å; F258-I262 PolarHBondContact O-N 3.45Å; S259-I262 PolarHBondContact O-N 3.11Å; I262-A264 VanDerWaalsContact C-N 3.33Å; I262-A264 PolarHBondContact O-N 2.9Å; I262-M265 PolarHBondContact O-N 2.75Å; I262-L266 HydrophobicContact CG2-CD1 3.96Å; I262-L266 HydrophobicContact CG2-CG 4.36Å; I262-L266 WeakPolarHBondContact O-CG 3.28Å; I262-L266 PolarHBondContact O-N 2.99Å
263A91.7Very high90.4Very high7 Ų756.2 Ų56.26%0.05828%0.275CS..Hα-helixtrans-59.5-42.3176.100000112.4S227 F228 S259 E260 V261 M265 L266 R267S227-A263 VanDerWaalsContact CB-CB 3.49Å; F228-A263 HydrophobicContact CD2-CB 4.39Å; F228-A263 HydrophobicContact CE2-CB 3.69Å; F228-A263 HydrophobicContact CZ-CB 4.34Å; S259-A263 WeakPolarHBondContact O-CB 3.42Å; S259-A263 PolarHBondContact O-N 2.84Å; E260-A263 PolarHBondContact O-N 3.01Å; V261-A263 PolarHBondContact O-N 2.71Å; A263-M265 VanDerWaalsContact C-N 3.33Å; A263-M265 PolarHBondContact O-N 3Å; A263-L266 PolarHBondContact O-N 2.65Å; A263-R267 VanDerWaalsContact O-CB 3.28Å; A263-R267 WeakPolarHBondContact O-CB 3.22Å; A263-R267 WeakPolarHBondContact O-CG 3.43Å; A263-R267 PolarHBondContact O-N 2.77Å
264A92.4Very high90.2Very high0 Ų066.3 Ų66.30%032%0.319CS..Hα-helixtrans-60.2-43.3176.200000111.5P99 V103 E260 V261 I262 R267 L268P99-A264 HydrophobicContact CB-CB 4.28Å; P99-A264 VanDerWaalsContact CB-O 3.28Å; P99-A264 WeakPolarHBondContact CB-O 3.34Å; P99-A264 VanDerWaalsContact O-CB 3.24Å; P99-A264 WeakPolarHBondContact O-CB 3.28Å; V103-A264 HydrophobicContact CG2-CB 3.8Å; E260-A264 WeakPolarHBondContact O-CB 3.32Å; E260-A264 PolarHBondContact O-N 2.64Å; V261-A264 WeakPolarHBondContact O-CB 3.4Å; V261-A264 PolarHBondContact O-N 3.23Å; I262-A264 VanDerWaalsContact C-N 3.33Å; I262-A264 PolarHBondContact O-N 2.9Å; A264-R267 PolarHBondContact O-N 3.39Å; A264-L268 PolarHBondContact O-N 3.48Å
265M91.7Very high89.8Confident59 Ų5966.7 Ų66.729%0.29132%0.32SS..Hα-helixtrans-67.4-38177.9-66.6-59.4133.400112.9V261 I262 A263 C287 C291V261-M265 WeakPolarHBondContact O-CG 3.37Å; V261-M265 PolarHBondContact O-N 2.79Å; I262-M265 PolarHBondContact O-N 2.75Å; A263-M265 VanDerWaalsContact C-N 3.33Å; A263-M265 PolarHBondContact O-N 3Å; M265-C287 VanDerWaalsContact CE-SG 3.57Å; M265-C291 HydrophobicContact CE-CB 3.81Å; M265-C291 WeakPolarHBondContact CE-SG 3.46Å
266L90.6Very high89.7Confident103 Ų10372 Ų7254%0.53934%0.337SS..Hα-helixtrans-68.4-43.5175.1-67.8174.9000111.6I262 A263 L268 R269 S270I262-L266 HydrophobicContact CG2-CD1 3.96Å; I262-L266 HydrophobicContact CG2-CG 4.36Å; I262-L266 WeakPolarHBondContact O-CG 3.28Å; I262-L266 PolarHBondContact O-N 2.99Å; A263-L266 PolarHBondContact O-N 2.65Å; L266-L268 VanDerWaalsContact C-N 3.32Å; L266-L268 PolarHBondContact O-N 3.26Å; L266-R269 PolarHBondContact O-N 3.43Å; L266-S270 PolarHBondContact O-N 3.11Å
267R89.1Confident89.6Confident97 Ų9776.2 Ų76.237%0.36636%0.36SS..Hα-helixtrans-62.9-35.8176.6-81.4-179.2144.6-152.1-5.7112.6P99 A263 A264 R269 S270 D271P99-R267 HydrophobicContact CB-CB 3.87Å; P99-R267 HydrophobicContact CG-CB 4.13Å; A263-R267 VanDerWaalsContact O-CB 3.28Å; A263-R267 WeakPolarHBondContact O-CB 3.22Å; A263-R267 WeakPolarHBondContact O-CG 3.43Å; A263-R267 PolarHBondContact O-N 2.77Å; A264-R267 PolarHBondContact O-N 3.39Å; R267-R269 PolarHBondContact O-N 2.93Å; R267-S270 PolarHBondContact O-N 2.69Å; R267-D271 WeakPolarHBondContact O-CB 3.26Å; R267-D271 PolarHBondContact O-N 2.87Å
268L87.3Confident89.3Confident31 Ų3183.8 Ų83.816%0.16239%0.393CS..Hα-helixtrans-54.2-40.4175.2-17969.6000112.1A264 L266 F272 C287A264-L268 PolarHBondContact O-N 3.48Å; L266-L268 VanDerWaalsContact C-N 3.32Å; L266-L268 PolarHBondContact O-N 3.26Å; L268-F272 HydrophobicContact CD1-CD2 3.9Å; L268-F272 HydrophobicContact CD1-CE2 4.16Å; L268-C287 HydrophobicContact CD1-CB 4.22Å
269R84.5Confident88.8Confident195 Ų19583.2 Ų83.274%0.73639%0.39SS*.Hα-helixtrans-69.5-41.6177-65.9-176.1178.8-179.80.3112.1L266 R267 K273L266-R269 PolarHBondContact O-N 3.43Å; R267-R269 PolarHBondContact O-N 2.93Å; R269-K273 PolarHBondContact O-N 2.86Å
270S86.3Confident88.6Confident84 Ų8487 Ų8759%0.58740%0.4SS*.Hα-helixtrans-71.1-55.1-178-178.90000112.4L266 R267 F272 K273L266-S270 PolarHBondContact O-N 3.11Å; R267-S270 PolarHBondContact O-N 2.69Å; S270-F272 VanDerWaalsContact C-N 3.27Å; S270-F272 PolarHBondContact O-N 3.48Å; S270-K273 WeakPolarHBondContact O-CB 3.48Å; S270-K273 PolarHBondContact O-N 3.37Å
271D84.7Confident88.5Confident56 Ų5692.1 Ų92.130%0.29943%0.427SS..Hα-helixtrans-70.5-23.3-168.6-67.5-4.4000113.4R267R267-D271 WeakPolarHBondContact O-CB 3.26Å; R267-D271 PolarHBondContact O-N 2.87Å
272F84.7Confident88.2Confident5 Ų596.7 Ų96.72%0.02244%0.442CS..THydrogen-bonded Turntrans-112.611.9-178.7-62.6-86.7000113L98 P99 L268 S270 K274 E275 R280 Y283L98-F272 HydrophobicContact CD2-CZ 4.29Å; P99-F272 HydrophobicContact CG-CE2 3.97Å; L268-F272 HydrophobicContact CD1-CD2 3.9Å; L268-F272 HydrophobicContact CD1-CE2 4.16Å; S270-F272 VanDerWaalsContact C-N 3.27Å; S270-F272 PolarHBondContact O-N 3.48Å; F272-K274 VanDerWaalsContact C-N 3.25Å; F272-K274 PolarHBondContact O-N 2.82Å; F272-E275 HydrophobicContact CB-CB 4.42Å; F272-E275 HydrophobicContact CB-CG 4.46Å; F272-E275 HydrophobicContact CD1-CB 4.37Å; F272-E275 HydrophobicContact CD1-CG 3.97Å; F272-E275 PolarHBondContact O-N 3.47Å; F272-R280 HydrophobicContact CB-CG 4.14Å; F272-R280 VanDerWaalsContact O-CD 3.22Å; F272-R280 WeakPolarHBondContact O-CD 3.28Å; F272-R280 VanDerWaalsContact O-CG 3.28Å; F272-R280 WeakPolarHBondContact O-CG 3.34Å; F272-R280 PolarHBondContact O-NE 3.33Å; F272-Y283 AromaticContact CD1-CD2 3.72Å; F272-Y283 HydrophobicContact CD1-CD2 3.72Å; F272-Y283 HydrophobicContact CD1-CE2 4.4Å; F272-Y283 HydrophobicContact CD1-CG 4.25Å; F272-Y283 HydrophobicContact CE1-CD1 4.26Å; F272-Y283 AromaticContact CE1-CD2 3.16Å; F272-Y283 HydrophobicContact CE1-CD2 3.16Å; F272-Y283 AromaticContact CE1-CE2 3.64Å; F272-Y283 HydrophobicContact CE1-CE2 3.64Å; F272-Y283 AromaticContact CE1-CG 3.54Å; F272-Y283 HydrophobicContact CE1-CG 3.54Å; F272-Y283 HydrophobicContact CE2-CG 4.5Å; F272-Y283 HydrophobicContact CZ-CD1 4.11Å; F272-Y283 AromaticContact CZ-CD2 3.82Å; F272-Y283 HydrophobicContact CZ-CD2 3.82Å; F272-Y283 HydrophobicContact CZ-CE2 4.38Å; F272-Y283 AromaticContact CZ-CG 3.67Å; F272-Y283 HydrophobicContact CZ-CG 3.67Å
273K85.1Confident87.9Confident159 Ų15993.4 Ų93.469%0.69142%0.423SS*.THydrogen-bonded Turntrans-56.9-36.8179.2-170.8175.5179.3179.30113.1R269 S270R269-K273 PolarHBondContact O-N 2.86Å; S270-K273 WeakPolarHBondContact O-CB 3.48Å; S270-K273 PolarHBondContact O-N 3.37Å
274K86.5Confident87.8Confident213 Ų21393.7 Ų93.793%0.92643%0.427SS*.THydrogen-bonded Turntrans-92.62.2-177.8-62.4-174.2179.5-1780114.3F272F272-K274 VanDerWaalsContact C-N 3.25Å; F272-K274 PolarHBondContact O-N 2.82Å
275E85.6Confident87.8Confident60 Ų6099.5 Ų99.528%0.2845%0.452SS..SBendtrans-92.4155.7-174.4-68.1-81.3-159.400111.9F272 K279 R280F272-E275 HydrophobicContact CB-CB 4.42Å; F272-E275 HydrophobicContact CB-CG 4.46Å; F272-E275 HydrophobicContact CD1-CB 4.37Å; F272-E275 HydrophobicContact CD1-CG 3.97Å; F272-E275 PolarHBondContact O-N 3.47Å; E275-K279 HydrophobicContact CB-CD 4.46Å; E275-K279 VanDerWaalsContact CD-CE 3.49Å; E275-K279 WeakPolarHBondContact OE1-CE 3.34Å; E275-K279 IonicContact OE1-NZ 3.92Å; E275-K279 PolarHBondContact OE1-NZ 2.92Å; E275-K279 VanDerWaalsContact OE2-CD 3.27Å; E275-K279 WeakPolarHBondContact OE2-CD 3.39Å; E275-K279 VanDerWaalsContact OE2-CE 3.3Å; E275-K279 WeakPolarHBondContact OE2-CE 3.42Å; E275-K279 IonicContact OE2-NZ 3.94Å; E275-K279 PolarHBondContact OE2-NZ 3.46Å; E275-R280 HydrophobicContact CB-CG 4.09Å; E275-R280 WeakPolarHBondContact O-CD 3.31Å
276K89.1Confident87.7Confident174 Ų17497.4 Ų97.476%0.75744%0.442SS*.  trans-58.1146.5177.3-64.8-173.6179.2-174.40111.4F278 K279 R280K276-F278 VanDerWaalsContact C-N 3.33Å; K276-F278 PolarHBondContact O-N 3.45Å; K276-K279 WeakPolarHBondContact O-CA 3.38Å; K276-K279 WeakPolarHBondContact O-CB 3.23Å; K276-K279 PolarHBondContact O-N 2.85Å; K276-R280 PolarHBondContact O-N 3.44Å
277I89.5Confident87.7Confident117 Ų11792.5 Ų92.560%0.642%0.416SS*.Hα-helixtrans-52.8-44.6-175.4-17159.9000113.5K279 R280 I281I277-K279 VanDerWaalsContact C-N 3.31Å; I277-K279 PolarHBondContact O-N 3.15Å; I277-R280 WeakPolarHBondContact O-CB 3.31Å; I277-R280 PolarHBondContact O-N 2.82Å; I277-R280 VanDerWaalsContact O-N 3.17Å; I277-I281 HydrophobicContact CD1-CD1 4.32Å; I277-I281 HydrophobicContact CD1-CG1 4.41Å; I277-I281 HydrophobicContact CG1-CD1 3.98Å; I277-I281 HydrophobicContact CG1-CG1 4.48Å; I277-I281 WeakPolarHBondContact O-CG1 3.42Å; I277-I281 PolarHBondContact O-N 2.9Å
278F88.4Confident87.9Confident159 Ų15990.8 Ų90.870%0.69742%0.416SS*.Hα-helixtrans-60-41.9177.9-178.1-94.3000112.4K276 I281 W282K276-F278 VanDerWaalsContact C-N 3.33Å; K276-F278 PolarHBondContact O-N 3.45Å; F278-I281 PolarHBondContact O-N 3.08Å; F278-W282 WeakPolarHBondContact O-CB 3.38Å; F278-W282 PolarHBondContact O-N 3.1Å
279K85.3Confident88.2Confident77 Ų7793 Ų9334%0.33543%0.428SS..Hα-helixtrans-67.3-39.5178.5-170.6169.2166.1-165.20110.7E275 K276 I277 Y283E275-K279 HydrophobicContact CB-CD 4.46Å; E275-K279 VanDerWaalsContact CD-CE 3.49Å; E275-K279 WeakPolarHBondContact OE1-CE 3.34Å; E275-K279 IonicContact OE1-NZ 3.92Å; E275-K279 PolarHBondContact OE1-NZ 2.92Å; E275-K279 VanDerWaalsContact OE2-CD 3.27Å; E275-K279 WeakPolarHBondContact OE2-CD 3.39Å; E275-K279 VanDerWaalsContact OE2-CE 3.3Å; E275-K279 WeakPolarHBondContact OE2-CE 3.42Å; E275-K279 IonicContact OE2-NZ 3.94Å; E275-K279 PolarHBondContact OE2-NZ 3.46Å; K276-K279 WeakPolarHBondContact O-CA 3.38Å; K276-K279 WeakPolarHBondContact O-CB 3.23Å; K276-K279 PolarHBondContact O-N 2.85Å; I277-K279 VanDerWaalsContact C-N 3.31Å; I277-K279 PolarHBondContact O-N 3.15Å; K279-Y283 HydrophobicContact CD-CE2 3.99Å; K279-Y283 HydrophobicContact CG-CD2 3.57Å; K279-Y283 HydrophobicContact CG-CE2 3.34Å; K279-Y283 WeakPolarHBondContact O-CD2 3.46Å; K279-Y283 PolarHBondContact O-N 3.13Å
280R87.8Confident88.7Confident107 Ų10784.3 Ų84.340%0.40440%0.396SS..Hα-helixtrans-61.2-47.7173.9-65.817867.1-169.4-0.3111.8F272 E275 K276 I277 G284F272-R280 HydrophobicContact CB-CG 4.14Å; F272-R280 VanDerWaalsContact O-CD 3.22Å; F272-R280 WeakPolarHBondContact O-CD 3.28Å; F272-R280 VanDerWaalsContact O-CG 3.28Å; F272-R280 WeakPolarHBondContact O-CG 3.34Å; F272-R280 PolarHBondContact O-NE 3.33Å; E275-R280 HydrophobicContact CB-CG 4.09Å; E275-R280 WeakPolarHBondContact O-CD 3.31Å; K276-R280 PolarHBondContact O-N 3.44Å; I277-R280 WeakPolarHBondContact O-CB 3.31Å; I277-R280 PolarHBondContact O-N 2.82Å; I277-R280 VanDerWaalsContact O-N 3.17Å; R280-G284 PolarHBondContact O-N 2.94Å
281I89.9Confident89.1Confident112 Ų11280.6 Ų80.657%0.57437%0.37SS*.Hα-helixtrans-61.8-48.7178.2-67.6169.2000110.4I277 F278 G284 F285I277-I281 HydrophobicContact CD1-CD1 4.32Å; I277-I281 HydrophobicContact CD1-CG1 4.41Å; I277-I281 HydrophobicContact CG1-CD1 3.98Å; I277-I281 HydrophobicContact CG1-CG1 4.48Å; I277-I281 WeakPolarHBondContact O-CG1 3.42Å; I277-I281 PolarHBondContact O-N 2.9Å; F278-I281 PolarHBondContact O-N 3.08Å; I281-G284 PolarHBondContact O-N 2.93Å; I281-F285 WeakPolarHBondContact O-CB 3.18Å; I281-F285 PolarHBondContact O-N 2.99Å
282W88Confident89.7Confident117 Ų11783 Ų8344%0.44338%0.382SS..Hα-helixtrans-59.8-50.5179.9176.1-100.3000112.9F278 G284 F285 Q286F278-W282 WeakPolarHBondContact O-CB 3.38Å; F278-W282 PolarHBondContact O-N 3.1Å; W282-G284 VanDerWaalsContact C-N 3.31Å; W282-G284 PolarHBondContact O-N 3.07Å; W282-F285 PolarHBondContact O-N 2.77Å; W282-Q286 HydrophobicContact CD2-CG 4.46Å; W282-Q286 VanDerWaalsContact CE2-NE2 3.3Å; W282-Q286 HydrophobicContact CZ2-CG 4.21Å; W282-Q286 VanDerWaalsContact NE1-NE2 3.15Å; W282-Q286 WeakPolarHBondContact O-CG 3.28Å; W282-Q286 PolarHBondContact O-N 3.37Å
283Y87.4Confident90.2Very high30 Ų3086.2 Ų86.212%0.11840%0.398CS..Hα-helixtrans-68-32177.7-75.1-63.4000112.7R88 L98 F272 K279 Q286 C287R88-Y283 PolarHBondContact NH2-OH 3.28Å; L98-Y283 HydrophobicContact CD2-CD1 4.4Å; L98-Y283 HydrophobicContact CD2-CE1 4.22Å; F272-Y283 AromaticContact CD1-CD2 3.72Å; F272-Y283 HydrophobicContact CD1-CD2 3.72Å; F272-Y283 HydrophobicContact CD1-CE2 4.4Å; F272-Y283 HydrophobicContact CD1-CG 4.25Å; F272-Y283 HydrophobicContact CE1-CD1 4.26Å; F272-Y283 AromaticContact CE1-CD2 3.16Å; F272-Y283 HydrophobicContact CE1-CD2 3.16Å; F272-Y283 AromaticContact CE1-CE2 3.64Å; F272-Y283 HydrophobicContact CE1-CE2 3.64Å; F272-Y283 AromaticContact CE1-CG 3.54Å; F272-Y283 HydrophobicContact CE1-CG 3.54Å; F272-Y283 HydrophobicContact CE2-CG 4.5Å; F272-Y283 HydrophobicContact CZ-CD1 4.11Å; F272-Y283 AromaticContact CZ-CD2 3.82Å; F272-Y283 HydrophobicContact CZ-CD2 3.82Å; F272-Y283 HydrophobicContact CZ-CE2 4.38Å; F272-Y283 AromaticContact CZ-CG 3.67Å; F272-Y283 HydrophobicContact CZ-CG 3.67Å; K279-Y283 HydrophobicContact CD-CE2 3.99Å; K279-Y283 HydrophobicContact CG-CD2 3.57Å; K279-Y283 HydrophobicContact CG-CE2 3.34Å; K279-Y283 WeakPolarHBondContact O-CD2 3.46Å; K279-Y283 PolarHBondContact O-N 3.13Å; Y283-Q286 PolarHBondContact O-N 2.66Å; Y283-C287 WeakPolarHBondContact O-CB 3.43Å; Y283-C287 PolarHBondContact O-N 3.15Å
284G90.3Very high90.8Very high13 Ų1378.7 Ų78.713%0.13437%0.365CS..Hα-helixtrans-63.7-44.8173.300000112.2R280 I281 W282 T288R280-G284 PolarHBondContact O-N 2.94Å; I281-G284 PolarHBondContact O-N 2.93Å; W282-G284 VanDerWaalsContact C-N 3.31Å; W282-G284 PolarHBondContact O-N 3.07Å; G284-T288 WeakPolarHBondContact O-CB 3.27Å; G284-T288 PolarHBondContact O-N 3.27Å; G284-T288 PolarHBondContact O-OG1 2.84Å
285F91.2Very high91.4Very high121 Ų12170.1 Ų70.153%0.53133%0.331SS..Hα-helixtrans-60.1-50173.4175.2-100.9000111.6I281 W282 C287 T288 L289I281-F285 WeakPolarHBondContact O-CB 3.18Å; I281-F285 PolarHBondContact O-N 2.99Å; W282-F285 PolarHBondContact O-N 2.77Å; F285-C287 PolarHBondContact O-N 3.49Å; F285-T288 PolarHBondContact O-N 2.89Å; F285-L289 HydrophobicContact CE1-CD2 4.13Å; F285-L289 HydrophobicContact CZ-CD2 4.21Å; F285-L289 WeakPolarHBondContact O-CB 3.29Å; F285-L289 PolarHBondContact O-N 3.49Å
286Q89.7Confident91.9Very high16 Ų1670 Ų708%0.07534%0.339CS..Hα-helixtrans-59.1-47.7178.7-73-170.4-36.800112.6W282 Y283 T288 L289 I290W282-Q286 HydrophobicContact CD2-CG 4.46Å; W282-Q286 VanDerWaalsContact CE2-NE2 3.3Å; W282-Q286 HydrophobicContact CZ2-CG 4.21Å; W282-Q286 VanDerWaalsContact NE1-NE2 3.15Å; W282-Q286 WeakPolarHBondContact O-CG 3.28Å; W282-Q286 PolarHBondContact O-N 3.37Å; Y283-Q286 PolarHBondContact O-N 2.66Å; Q286-T288 PolarHBondContact O-N 3.34Å; Q286-L289 PolarHBondContact O-N 3.44Å; Q286-I290 WeakPolarHBondContact O-CB 3.46Å; Q286-I290 WeakPolarHBondContact O-CG1 3.14Å; Q286-I290 PolarHBondContact O-N 3.4Å
287C91.7Very high92.3Very high0 Ų062.3 Ų62.30%031%0.307CS..Hα-helixtrans-60.3-46.2178.7-178.10000111.2M265 L268 Y283 F285 I290 C291M265-C287 VanDerWaalsContact CE-SG 3.57Å; L268-C287 HydrophobicContact CD1-CB 4.22Å; Y283-C287 WeakPolarHBondContact O-CB 3.43Å; Y283-C287 PolarHBondContact O-N 3.15Å; F285-C287 PolarHBondContact O-N 3.49Å; C287-I290 PolarHBondContact O-N 3.28Å; C287-C291 WeakPolarHBondContact O-CB 3.34Å; C287-C291 PolarHBondContact O-N 3.48Å; C287-C291 PolarHBondContact O-SG 2.97Å
288T93.4Very high92.7Very high61 Ų6156.8 Ų56.837%0.37428%0.279SS..Hα-helixtrans-62.2-47.9178.7-54.60000111.2G284 F285 Q286 I290 C291 I292G284-T288 WeakPolarHBondContact O-CB 3.27Å; G284-T288 PolarHBondContact O-N 3.27Å; G284-T288 PolarHBondContact O-OG1 2.84Å; F285-T288 PolarHBondContact O-N 2.89Å; Q286-T288 PolarHBondContact O-N 3.34Å; T288-I290 PolarHBondContact O-N 2.88Å; T288-C291 PolarHBondContact O-N 3.28Å; T288-I292 HydrophobicContact CG2-CD1 3.98Å; T288-I292 VanDerWaalsContact O-CG1 3.32Å; T288-I292 WeakPolarHBondContact O-CG1 3.27Å; T288-I292 PolarHBondContact O-N 3.21Å
289L94Very high93.1Very high77 Ų7750.7 Ų50.740%0.40326%0.256SS..Hα-helixtrans-60.5-46.4179-17963.4000111.8F285 Q286 C291 I292 M293F285-L289 HydrophobicContact CE1-CD2 4.13Å; F285-L289 HydrophobicContact CZ-CD2 4.21Å; F285-L289 WeakPolarHBondContact O-CB 3.29Å; F285-L289 PolarHBondContact O-N 3.49Å; Q286-L289 PolarHBondContact O-N 3.44Å; L289-C291 PolarHBondContact O-N 2.82Å; L289-I292 PolarHBondContact O-N 2.89Å; L289-M293 HydrophobicContact CG-CE 4.11Å; L289-M293 WeakPolarHBondContact O-CG 3.39Å; L289-M293 PolarHBondContact O-N 2.85Å
290I93.5Very high93.6Very high12 Ų1247.6 Ų47.66%0.06224%0.243CC..Hα-helixtrans-64.1-40.5177.8-69.3168.1000111Q100 T104 Q286 C287 T288 I292 M293 A294Q100-I290 HydrophobicContact CB-CB 4.42Å; Q100-I290 HydrophobicContact CB-CG2 4.09Å; Q100-I290 HydrophobicContact CG-CB 4.07Å; Q100-I290 HydrophobicContact CG-CD1 3.85Å; Q100-I290 HydrophobicContact CG-CG2 3.84Å; T104-I290 HydrophobicContact CG2-CG2 3.61Å; Q286-I290 WeakPolarHBondContact O-CB 3.46Å; Q286-I290 WeakPolarHBondContact O-CG1 3.14Å; Q286-I290 PolarHBondContact O-N 3.4Å; C287-I290 PolarHBondContact O-N 3.28Å; T288-I290 PolarHBondContact O-N 2.88Å; I290-I292 PolarHBondContact O-N 3.5Å; I290-M293 HydrophobicContact CB-CE 4.47Å; I290-M293 HydrophobicContact CG1-CE 3.96Å; I290-M293 PolarHBondContact O-N 2.82Å; I290-A294 WeakPolarHBondContact O-CB 3.43Å; I290-A294 PolarHBondContact O-N 3.42Å
291C95.6Very high94Very high6 Ų642.5 Ų42.54%0.04122%0.224CC..Hα-helixtrans-65-37.9176.6-68.70000112.3V261 M265 C287 T288 L289 T295V261-C291 HydrophobicContact CG1-CB 4.4Å; M265-C291 HydrophobicContact CE-CB 3.81Å; M265-C291 WeakPolarHBondContact CE-SG 3.46Å; C287-C291 WeakPolarHBondContact O-CB 3.34Å; C287-C291 PolarHBondContact O-N 3.48Å; C287-C291 PolarHBondContact O-SG 2.97Å; T288-C291 PolarHBondContact O-N 3.28Å; L289-C291 PolarHBondContact O-N 2.82Å; C291-T295 WeakPolarHBondContact O-CB 3.24Å; C291-T295 PolarHBondContact O-N 3.08Å; C291-T295 PolarHBondContact O-OG1 3.1Å
292I96.9Very high94.3Very high108 Ų10837.8 Ų37.855%0.55420%0.2SC*.Hα-helixtrans-63.1-50.7174.1-69.4166.5000110.2T288 L289 I290 A294 T295 A296T288-I292 HydrophobicContact CG2-CD1 3.98Å; T288-I292 VanDerWaalsContact O-CG1 3.32Å; T288-I292 WeakPolarHBondContact O-CG1 3.27Å; T288-I292 PolarHBondContact O-N 3.21Å; L289-I292 PolarHBondContact O-N 2.89Å; I290-I292 PolarHBondContact O-N 3.5Å; I292-A294 VanDerWaalsContact C-N 3.35Å; I292-A294 PolarHBondContact O-N 3.26Å; I292-T295 PolarHBondContact O-N 3.34Å; I292-A296 PolarHBondContact O-N 2.89Å
293M96.5Very high94.5Very high72 Ų7232.2 Ų32.236%0.35518%0.179SC..Hα-helixtrans-59.9-45.3177.8-68.6-173-62.800111.6L83 L289 I290 T295 A296 V297L83-M293 HydrophobicContact CD2-CB 4.1Å; L83-M293 HydrophobicContact CD2-CE 3.75Å; L83-M293 HydrophobicContact CD2-SD 4.01Å; L289-M293 HydrophobicContact CG-CE 4.11Å; L289-M293 WeakPolarHBondContact O-CG 3.39Å; L289-M293 PolarHBondContact O-N 2.85Å; I290-M293 HydrophobicContact CB-CE 4.47Å; I290-M293 HydrophobicContact CG1-CE 3.96Å; I290-M293 PolarHBondContact O-N 2.82Å; M293-T295 VanDerWaalsContact C-N 3.31Å; M293-T295 PolarHBondContact O-N 3.29Å; M293-A296 PolarHBondContact O-N 3.25Å; M293-V297 VanDerWaalsContact O-CG2 3.28Å; M293-V297 WeakPolarHBondContact O-CG2 3.36Å; M293-V297 PolarHBondContact O-N 3.3Å
294A97.1Very high94.7Very high0 Ų031 Ų310%018%0.175CC..Hα-helixtrans-61.5-39.8177.800000112.1V103 L107 F257 I290 I292 V297 F298V103-A294 HydrophobicContact CG1-CB 3.76Å; L107-A294 HydrophobicContact CD1-CB 3.82Å; F257-A294 HydrophobicContact CE2-CB 4.42Å; F257-A294 HydrophobicContact CZ-CB 4.19Å; I290-A294 WeakPolarHBondContact O-CB 3.43Å; I290-A294 PolarHBondContact O-N 3.42Å; I292-A294 VanDerWaalsContact C-N 3.35Å; I292-A294 PolarHBondContact O-N 3.26Å; A294-V297 PolarHBondContact O-N 3.16Å; A294-F298 VanDerWaalsContact O-CB 3.25Å; A294-F298 WeakPolarHBondContact O-CB 3.28Å; A294-F298 PolarHBondContact O-N 3.38Å
295T97.8Very high94.7Very high34 Ų3430.6 Ų30.621%0.20917%0.17CC..Hα-helixtrans-66.3-40.8177-56.90000111.3F257 F258 C291 I292 M293 F298 S299F257-T295 HydrophobicContact CE1-CG2 4.22Å; F258-T295 HydrophobicContact CE1-CG2 4.25Å; F258-T295 HydrophobicContact CZ-CG2 4.07Å; C291-T295 WeakPolarHBondContact O-CB 3.24Å; C291-T295 PolarHBondContact O-N 3.08Å; C291-T295 PolarHBondContact O-OG1 3.1Å; I292-T295 PolarHBondContact O-N 3.34Å; M293-T295 VanDerWaalsContact C-N 3.31Å; M293-T295 PolarHBondContact O-N 3.29Å; T295-F298 PolarHBondContact O-N 3.01Å; T295-S299 VanDerWaalsContact O-CB 3.31Å; T295-S299 WeakPolarHBondContact O-CB 3.47Å; T295-S299 PolarHBondContact O-N 3.18Å; T295-S299 PolarHBondContact O-OG 2.91Å
296A97.2Very high94.5Very high56 Ų5624.8 Ų24.846%0.46314%0.144SC..Hα-helixtrans-62.5-47.3175.800000111.6I292 M293 S299 V300I292-A296 PolarHBondContact O-N 2.89Å; M293-A296 PolarHBondContact O-N 3.25Å; A296-S299 PolarHBondContact O-N 3.37Å; A296-V300 WeakPolarHBondContact O-CG2 3.38Å; A296-V300 PolarHBondContact O-N 3.37Å
297V97.4Very high94.2Very high14 Ų1428.7 Ų28.79%0.08516%0.161CC..Hα-helixtrans-62-46.8176.9174.30000111.4F79 L80 L83 L107 M293 A294 S299 V300 S301 I332F79-V297 HydrophobicContact CD1-CG2 4.29Å; F79-V297 HydrophobicContact CE1-CG2 3.58Å; L80-V297 HydrophobicContact CD2-CG1 3.87Å; L83-V297 HydrophobicContact CD1-CG2 4.11Å; L107-V297 HydrophobicContact CD1-CB 4.43Å; L107-V297 HydrophobicContact CD1-CG1 4.29Å; M293-V297 VanDerWaalsContact O-CG2 3.28Å; M293-V297 WeakPolarHBondContact O-CG2 3.36Å; M293-V297 PolarHBondContact O-N 3.3Å; A294-V297 PolarHBondContact O-N 3.16Å; V297-S299 VanDerWaalsContact C-N 3.31Å; V297-S299 PolarHBondContact O-N 3.06Å; V297-V300 PolarHBondContact O-N 3.47Å; V297-S301 VanDerWaalsContact O-CB 3.28Å; V297-S301 WeakPolarHBondContact O-CB 3.16Å; V297-S301 PolarHBondContact O-N 2.95Å; V297-S301 PolarHBondContact O-OG 2.91Å; V297-I332 HydrophobicContact CG1-CG2 4.16Å; V297-I332 HydrophobicContact CG2-CG2 4.24Å
298F97.7Very high93.7Very high1 Ų129.7 Ų29.70%0.00417%0.166CC..Hα-helixtrans-56.6-48.5176.5-179.5-105.8000110.8F106 L107 W110 I254 F257 A294 T295 V300 S301 L302F106-F298 HydrophobicContact CE1-CD2 4.49Å; F106-F298 AromaticContact CE1-CE2 3.96Å; F106-F298 HydrophobicContact CE1-CE2 3.96Å; L107-F298 HydrophobicContact CD2-CB 3.74Å; L107-F298 HydrophobicContact CD2-CD2 4.15Å; L107-F298 HydrophobicContact CD2-CG 4.4Å; W110-F298 AromaticContact CD1-CD2 3.86Å; W110-F298 HydrophobicContact CD2-CD2 4.28Å; W110-F298 AromaticContact CD2-CE2 3.65Å; W110-F298 HydrophobicContact CD2-CE2 3.65Å; W110-F298 AromaticContact CE2-CE2 3.81Å; W110-F298 HydrophobicContact CE3-CE2 4.03Å; W110-F298 HydrophobicContact CG-CD2 4.06Å; W110-F298 AromaticContact CG-CE2 3.85Å; W110-F298 HydrophobicContact CG-CE2 3.85Å; W110-F298 HydrophobicContact CZ2-CE2 4.38Å; W110-F298 AromaticContact NE1-CD2 3.99Å; W110-F298 AromaticContact NE1-CE2 3.96Å; I254-F298 HydrophobicContact CB-CE1 4.38Å; I254-F298 HydrophobicContact CG1-CE1 3.84Å; I254-F298 HydrophobicContact CG1-CZ 4.1Å; F257-F298 HydrophobicContact CB-CD1 4.27Å; F257-F298 HydrophobicContact CB-CD2 4.3Å; F257-F298 HydrophobicContact CB-CE1 3.96Å; F257-F298 HydrophobicContact CB-CE2 4.01Å; F257-F298 HydrophobicContact CB-CG 4.43Å; F257-F298 HydrophobicContact CB-CZ 3.83Å; F257-F298 HydrophobicContact CD1-CB 4.31Å; F257-F298 AromaticContact CD1-CD1 3.58Å; F257-F298 HydrophobicContact CD1-CD1 3.58Å; F257-F298 AromaticContact CD1-CE1 3.99Å; F257-F298 HydrophobicContact CD1-CE1 3.99Å; F257-F298 AromaticContact CD1-CG 3.88Å; F257-F298 HydrophobicContact CD1-CG 3.88Å; F257-F298 HydrophobicContact CD2-CB 4.33Å; F257-F298 HydrophobicContact CD2-CD1 4.49Å; F257-F298 HydrophobicContact CD2-CD2 4.03Å; F257-F298 HydrophobicContact CD2-CG 4.02Å; F257-F298 HydrophobicContact CE1-CB 4.05Å; F257-F298 HydrophobicContact CE1-CD1 4.04Å; F257-F298 HydrophobicContact CE1-CG 4.13Å; F257-F298 HydrophobicContact CE2-CB 4.06Å; F257-F298 HydrophobicContact CE2-CG 4.25Å; F257-F298 HydrophobicContact CG-CB 4.45Å; F257-F298 AromaticContact CG-CD1 3.84Å; F257-F298 HydrophobicContact CG-CD1 3.84Å; F257-F298 HydrophobicContact CG-CD2 4.02Å; F257-F298 HydrophobicContact CG-CE1 4.05Å; F257-F298 HydrophobicContact CG-CE2 4.23Å; F257-F298 AromaticContact CG-CG 3.82Å; F257-F298 HydrophobicContact CG-CG 3.82Å; F257-F298 HydrophobicContact CG-CZ 4.25Å; F257-F298 HydrophobicContact CZ-CB 3.92Å; F257-F298 HydrophobicContact CZ-CG 4.31Å; A294-F298 VanDerWaalsContact O-CB 3.25Å; A294-F298 WeakPolarHBondContact O-CB 3.28Å; A294-F298 PolarHBondContact O-N 3.38Å; T295-F298 PolarHBondContact O-N 3.01Å; F298-V300 PolarHBondContact O-N 3.4Å; F298-S301 WeakPolarHBondContact CA-OG 3.48Å; F298-S301 PolarHBondContact O-N 3.32Å; F298-S301 VanDerWaalsContact O-N 3.11Å; F298-S301 PolarHBondContact O-OG 2.81Å; F298-L302 HydrophobicContact CE1-CD1 4.21Å; F298-L302 HydrophobicContact CE1-CD2 4.3Å; F298-L302 HydrophobicContact CE1-CG 4.4Å; F298-L302 HydrophobicContact CZ-CD2 4.08Å; F298-L302 PolarHBondContact O-N 3.2Å; F298-L302 VanDerWaalsContact O-N 3.15Å
299S96.9Very high93.1Very high30 Ų3027.7 Ų27.721%0.2115%0.153CC..Hα-helixtrans-61.3-46.1-178.7-56.60000112.3T295 A296 V297 S301 L302T295-S299 VanDerWaalsContact O-CB 3.31Å; T295-S299 WeakPolarHBondContact O-CB 3.47Å; T295-S299 PolarHBondContact O-N 3.18Å; T295-S299 PolarHBondContact O-OG 2.91Å; A296-S299 PolarHBondContact O-N 3.37Å; V297-S299 VanDerWaalsContact C-N 3.31Å; V297-S299 PolarHBondContact O-N 3.06Å; S299-S301 VanDerWaalsContact C-N 3.3Å; S299-S301 PolarHBondContact O-N 2.91Å; S299-L302 WeakPolarHBondContact O-CB 3.49Å; S299-L302 PolarHBondContact O-N 3.23Å
300V96.3Very high92.3Very high12 Ų1233.4 Ų33.47%0.07317%0.169CC..Hα-helixtrans-61.8-40.5174.2165.60000111.1A296 V297 F298 L302 V303 P304 A323 H324 T327 A333A296-V300 WeakPolarHBondContact O-CG2 3.38Å; A296-V300 PolarHBondContact O-N 3.37Å; V297-V300 PolarHBondContact O-N 3.47Å; F298-V300 PolarHBondContact O-N 3.4Å; V300-L302 PolarHBondContact O-N 3.48Å; V300-V303 WeakPolarHBondContact O-CB 3.45Å; V300-V303 PolarHBondContact O-N 3.2Å; V300-V303 VanDerWaalsContact O-N 3.11Å; V300-P304 WeakPolarHBondContact O-CD 3.36Å; V300-A323 HydrophobicContact CG2-CB 4.07Å; V300-H324 HydrophobicContact CG1-CB 4.15Å; V300-T327 WeakPolarHBondContact CG1-OG1 3.08Å; V300-A333 HydrophobicContact CG1-CB 4.02Å
301S96.2Very high91.7Very high1 Ų138.6 Ų38.61%0.00719%0.192CC..Hα-helixtrans-72.5-8.4-178.376.10000115.2W110 R114 V297 F298 S299 V303W110-S301 VanDerWaalsContact CD1-OG 3.28Å; W110-S301 PolarHBondContact NE1-OG 3.5Å; R114-S301 VanDerWaalsContact CD-O 3.22Å; R114-S301 WeakPolarHBondContact CD-O 3.49Å; V297-S301 VanDerWaalsContact O-CB 3.28Å; V297-S301 WeakPolarHBondContact O-CB 3.16Å; V297-S301 PolarHBondContact O-N 2.95Å; V297-S301 PolarHBondContact O-OG 2.91Å; F298-S301 WeakPolarHBondContact CA-OG 3.48Å; F298-S301 PolarHBondContact O-N 3.32Å; F298-S301 VanDerWaalsContact O-N 3.11Å; F298-S301 PolarHBondContact O-OG 2.81Å; S299-S301 VanDerWaalsContact C-N 3.3Å; S299-S301 PolarHBondContact O-N 2.91Å; S301-V303 VanDerWaalsContact C-N 3.29Å
302L95.1Very high91.2Very high12 Ų1238.9 Ų38.96%0.06319%0.193CC..Hα-helixtrans-68.7-31.9168.5-69.6168000111.2W110 M250 I254 F298 S299 V300 L305 I316W110-L302 HydrophobicContact CH2-CD2 3.85Å; W110-L302 HydrophobicContact CZ2-CD2 3.62Å; W110-L302 HydrophobicContact CZ2-CG 4.5Å; M250-L302 HydrophobicContact CE-CB 3.89Å; M250-L302 HydrophobicContact CE-CD2 3.85Å; M250-L302 HydrophobicContact CE-CG 4.37Å; I254-L302 HydrophobicContact CD1-CD1 4.23Å; I254-L302 HydrophobicContact CD1-CD2 4.49Å; I254-L302 HydrophobicContact CG1-CD1 4.2Å; I254-L302 HydrophobicContact CG1-CD2 4.23Å; F298-L302 HydrophobicContact CE1-CD1 4.21Å; F298-L302 HydrophobicContact CE1-CD2 4.3Å; F298-L302 HydrophobicContact CE1-CG 4.4Å; F298-L302 HydrophobicContact CZ-CD2 4.08Å; F298-L302 PolarHBondContact O-N 3.2Å; F298-L302 VanDerWaalsContact O-N 3.15Å; S299-L302 WeakPolarHBondContact O-CB 3.49Å; S299-L302 PolarHBondContact O-N 3.23Å; V300-L302 PolarHBondContact O-N 3.48Å; L302-L305 WeakPolarHBondContact O-CB 3.32Å; L302-L305 PolarHBondContact O-N 2.68Å; L302-I316 HydrophobicContact CB-CD1 4.34Å
303V93.4Very high90.6Very high0 Ų037.8 Ų37.80%018%0.182CC..Hα-helixtrans-62.3-50.7-171.3-179.90000112.6V300 S301 L305 T306 F307 W313 I316 L320 H324V300-V303 WeakPolarHBondContact O-CB 3.45Å; V300-V303 PolarHBondContact O-N 3.2Å; V300-V303 VanDerWaalsContact O-N 3.11Å; S301-V303 VanDerWaalsContact C-N 3.29Å; V303-L305 PolarHBondContact O-N 2.78Å; V303-L305 VanDerWaalsContact O-N 3.1Å; V303-T306 WeakPolarHBondContact O-CB 3.21Å; V303-T306 PolarHBondContact O-N 3.17Å; V303-T306 PolarHBondContact O-OG1 2.98Å; V303-F307 HydrophobicContact CG1-CE1 4.09Å; V303-F307 HydrophobicContact CG1-CZ 4.32Å; V303-W313 HydrophobicContact CG1-CE3 4.4Å; V303-W313 HydrophobicContact CG1-CZ3 3.65Å; V303-I316 HydrophobicContact CG2-CD1 3.99Å; V303-L320 HydrophobicContact CG2-CB 4Å; V303-L320 WeakPolarHBondContact CG2-O 3.48Å; V303-H324 HydrophobicContact CB-CB 3.88Å; V303-H324 HydrophobicContact CG1-CB 3.94Å; V303-H324 HydrophobicContact CG2-CB 3.89Å
304P91.2Very high90Very high5 Ų538.6 Ų38.63%0.03219%0.188CC..Hα-helixtrans-63.3-23.5-178.2-22.333000114.6V300 T306 F307 A333 H334V300-P304 WeakPolarHBondContact O-CD 3.36Å; P304-T306 VanDerWaalsContact C-N 3.28Å; P304-F307 HydrophobicContact CB-CD2 4.37Å; P304-F307 HydrophobicContact CB-CE2 4.19Å; P304-F307 PolarHBondContact O-N 3.35Å; P304-A333 HydrophobicContact CG-CB 4.21Å; P304-H334 WeakPolarHBondContact CB-O 3.49Å
305L89.4Confident89.6Confident4 Ų444.7 Ų44.72%0.02122%0.216CC..Hα-helixtrans-69.1-30.6175.3-174.865.5000111.3W110 F113 F117 L246 M250 L302 V303 F307 I308W110-L305 HydrophobicContact CH2-CD2 3.69Å; W110-L305 HydrophobicContact CZ2-CD2 4.13Å; F113-L305 HydrophobicContact CE1-CD2 4.03Å; F113-L305 HydrophobicContact CZ-CD2 4.49Å; F117-L305 HydrophobicContact CD1-CD1 3.92Å; F117-L305 HydrophobicContact CE1-CD1 4.29Å; L246-L305 HydrophobicContact CD1-CD1 4.16Å; L246-L305 HydrophobicContact CD1-CD2 4.21Å; L246-L305 HydrophobicContact CD1-CG 3.95Å; M250-L305 HydrophobicContact CG-CD2 3.77Å; M250-L305 HydrophobicContact SD-CD2 4.47Å; L302-L305 WeakPolarHBondContact O-CB 3.32Å; L302-L305 PolarHBondContact O-N 2.68Å; V303-L305 PolarHBondContact O-N 2.78Å; V303-L305 VanDerWaalsContact O-N 3.1Å; L305-F307 VanDerWaalsContact C-N 3.27Å; L305-F307 PolarHBondContact O-N 3.08Å; L305-I308 HydrophobicContact CD1-CD1 3.81Å; L305-I308 WeakPolarHBondContact O-CB 3.36Å; L305-I308 WeakPolarHBondContact O-CG1 3.33Å; L305-I308 PolarHBondContact O-N 3.42Å
306T87.4Confident89.3Confident0 Ų044 Ų440%021%0.211CC..Hα-helixtrans-72.3-17.217969.80000113.6M250 V303 P304 I308 D309 T312 I316M250-T306 HydrophobicContact CE-CG2 3.77Å; M250-T306 HydrophobicContact SD-CG2 4.01Å; V303-T306 WeakPolarHBondContact O-CB 3.21Å; V303-T306 PolarHBondContact O-N 3.17Å; V303-T306 PolarHBondContact O-OG1 2.98Å; P304-T306 VanDerWaalsContact C-N 3.28Å; T306-I308 PolarHBondContact O-N 2.98Å; T306-I308 VanDerWaalsContact O-N 3.07Å; T306-D309 CarbonylContact O-C 3.24Å; T306-D309 PolarHBondContact O-N 2.73Å; T306-T312 HydrophobicContact CG2-CG2 3.7Å; T306-I316 HydrophobicContact CG2-CD1 3.81Å
307F84.6Confident89.1Confident98 Ų9844.6 Ų44.643%0.4321%0.21SC..THydrogen-bonded Turntrans-61.6-19.4174.8-59-18.3000113V303 P304 L305 D309 W313 H324V303-F307 HydrophobicContact CG1-CE1 4.09Å; V303-F307 HydrophobicContact CG1-CZ 4.32Å; P304-F307 HydrophobicContact CB-CD2 4.37Å; P304-F307 HydrophobicContact CB-CE2 4.19Å; P304-F307 PolarHBondContact O-N 3.35Å; L305-F307 VanDerWaalsContact C-N 3.27Å; L305-F307 PolarHBondContact O-N 3.08Å; F307-D309 VanDerWaalsContact C-N 3.33Å; F307-W313 AromaticContact CD1-CE3 3.96Å; F307-W313 HydrophobicContact CD1-CE3 3.96Å; F307-W313 HydrophobicContact CD1-CZ3 4.09Å; F307-W313 AromaticContact CE1-CE3 3.82Å; F307-W313 HydrophobicContact CE1-CE3 3.82Å; F307-W313 HydrophobicContact CE1-CH2 4.02Å; F307-W313 AromaticContact CE1-CZ3 3.46Å; F307-W313 HydrophobicContact CE1-CZ3 3.46Å; F307-W313 VanDerWaalsContact CE1-CZ3 3.46Å; F307-H324 AromaticContact CZ-NE2 3.82Å
308I80.7Confident89Confident21 Ų2148.8 Ų48.811%0.10823%0.229CC..THydrogen-bonded Turntrans-70.3-29.9175.9-61.5-178.3000111.5F117 A118 V121 L125 L246 L305 T306F117-I308 HydrophobicContact CD1-CD1 4.49Å; A118-I308 HydrophobicContact CB-CD1 3.88Å; V121-I308 HydrophobicContact CB-CG2 4.36Å; V121-I308 HydrophobicContact CG1-CG2 3.48Å; V121-I308 VanDerWaalsContact CG1-CG2 3.48Å; L125-I308 HydrophobicContact CD1-CB 4.25Å; L125-I308 HydrophobicContact CD1-CG2 3.39Å; L125-I308 WeakPolarHBondContact CD1-O 3.27Å; L246-I308 HydrophobicContact CD2-CB 4.36Å; L305-I308 HydrophobicContact CD1-CD1 3.81Å; L305-I308 WeakPolarHBondContact O-CB 3.36Å; L305-I308 WeakPolarHBondContact O-CG1 3.33Å; L305-I308 PolarHBondContact O-N 3.42Å; T306-I308 PolarHBondContact O-N 2.98Å; T306-I308 VanDerWaalsContact O-N 3.07Å
309D79.9Confident88.9Confident19 Ų1955.3 Ų55.310%0.10226%0.259CS..  trans-138.4113.7-175.5174.354.1000111.4T243 L246 T306 F307 F311 T312 W313T243-D309 HydrophobicContact CG2-CB 4.22Å; L246-D309 HydrophobicContact CD2-CB 3.64Å; T306-D309 CarbonylContact O-C 3.24Å; T306-D309 PolarHBondContact O-N 2.73Å; F307-D309 VanDerWaalsContact C-N 3.33Å; D309-F311 PolarHBondContact O-N 3.49Å; D309-F311 WeakPolarHBondContact OD2-CB 3.44Å; D309-T312 PolarHBondContact O-N 2.98Å; D309-T312 VanDerWaalsContact O-N 3.15Å; D309-T312 WeakPolarHBondContact OD2-CB 3.46Å; D309-T312 PolarHBondContact OD2-N 3.47Å; D309-T312 PolarHBondContact OD2-OG1 3.26Å; D309-W313 PolarHBondContact O-N 2.8Å
310R77.6Confident88.8Confident196 Ų19655.8 Ų55.874%0.7426%0.26SS*.Hα-helixtrans-57.5-37.9-179.1-173.9173.6-177.8170.33.5112.6T312 W313 D314R310-T312 PolarHBondContact O-N 3.33Å; R310-W313 PolarHBondContact O-N 3.04Å; R310-D314 IonicContact NE-OD2 3.54Å; R310-D314 WeakPolarHBondContact O-CB 3.33Å; R310-D314 VanDerWaalsContact O-CG 3.24Å; R310-D314 PolarHBondContact O-N 3Å
311F81.2Confident88.7Confident122 Ų12256.4 Ų56.454%0.53526%0.261SS..Hα-helixtrans-60.8-47.8178.9174.7-91.2000111D309 D314 H315D309-F311 PolarHBondContact O-N 3.49Å; D309-F311 WeakPolarHBondContact OD2-CB 3.44Å; F311-D314 PolarHBondContact O-N 3.41Å; F311-H315 AromaticContact CD2-CE1 3.6Å; F311-H315 AromaticContact CD2-ND1 3.9Å; F311-H315 AromaticContact CE2-CE1 3.22Å; F311-H315 WeakPolarHBondContact CE2-CE1 3.48Å; F311-H315 AromaticContact CE2-ND1 3.78Å; F311-H315 AromaticContact CE2-NE2 3.9Å; F311-H315 AromaticContact CZ-CE1 3.58Å; F311-H315 AromaticContact CZ-ND1 3.86Å; F311-H315 AromaticContact CZ-NE2 3.99Å; F311-H315 PolarHBondContact O-N 3.46Å; F311-H315 PolarHBondContact O-ND1 3.31Å
312T84.4Confident88.7Confident12 Ų1260 Ų607%0.07428%0.28CS..Hα-helixtrans-65.8-39.1177.6-53.70000111.9L246 M250 T306 D309 R310 D314 H315 I316L246-T312 HydrophobicContact CD2-CG2 4.36Å; M250-T312 HydrophobicContact CE-CG2 4.45Å; M250-T312 HydrophobicContact SD-CG2 3.54Å; M250-T312 VanDerWaalsContact SD-CG2 3.54Å; T306-T312 HydrophobicContact CG2-CG2 3.7Å; D309-T312 PolarHBondContact O-N 2.98Å; D309-T312 VanDerWaalsContact O-N 3.15Å; D309-T312 WeakPolarHBondContact OD2-CB 3.46Å; D309-T312 PolarHBondContact OD2-N 3.47Å; D309-T312 PolarHBondContact OD2-OG1 3.26Å; R310-T312 PolarHBondContact O-N 3.33Å; T312-D314 VanDerWaalsContact C-N 3.33Å; T312-D314 PolarHBondContact O-N 3.48Å; T312-H315 PolarHBondContact O-N 2.98Å; T312-I316 PolarHBondContact O-N 2.71Å; T312-I316 VanDerWaalsContact O-N 3.1Å
313W84.1Confident88.7Confident84 Ų8461.1 Ų61.132%0.31829%0.292SS..Hα-helixtrans-60.9-39.7173.3168.2-101.4000112.6V303 F307 D309 R310 H315 I316 K321V303-W313 HydrophobicContact CG1-CE3 4.4Å; V303-W313 HydrophobicContact CG1-CZ3 3.65Å; F307-W313 AromaticContact CD1-CE3 3.96Å; F307-W313 HydrophobicContact CD1-CE3 3.96Å; F307-W313 HydrophobicContact CD1-CZ3 4.09Å; F307-W313 AromaticContact CE1-CE3 3.82Å; F307-W313 HydrophobicContact CE1-CE3 3.82Å; F307-W313 HydrophobicContact CE1-CH2 4.02Å; F307-W313 AromaticContact CE1-CZ3 3.46Å; F307-W313 HydrophobicContact CE1-CZ3 3.46Å; F307-W313 VanDerWaalsContact CE1-CZ3 3.46Å; D309-W313 PolarHBondContact O-N 2.8Å; R310-W313 PolarHBondContact O-N 3.04Å; W313-H315 VanDerWaalsContact C-N 3.28Å; W313-H315 PolarHBondContact O-N 2.68Å; W313-I316 HydrophobicContact CE3-CG2 4.46Å; W313-I316 WeakPolarHBondContact O-CG2 3.34Å; W313-K321 HydrophobicContact CE3-CD 4.35Å; W313-K321 HydrophobicContact CE3-CG 4.49Å; W313-K321 HydrophobicContact CH2-CB 4.28Å; W313-K321 HydrophobicContact CH2-CD 3.71Å; W313-K321 HydrophobicContact CH2-CG 3.9Å; W313-K321 HydrophobicContact CZ2-CD 3.91Å; W313-K321 HydrophobicContact CZ3-CD 3.91Å; W313-K321 HydrophobicContact CZ3-CG 3.81Å; W313-K321 WeakPolarHBondContact O-CE 3.25Å; W313-K321 PolarHBondContact O-NZ 3.45Å
314D84.1Confident88.8Confident89 Ų8962 Ų6248%0.47630%0.295SS..Hα-helixtrans-71-25.9-179.2-68.7-22.1000112.1R310 F311 T312R310-D314 IonicContact NE-OD2 3.54Å; R310-D314 WeakPolarHBondContact O-CB 3.33Å; R310-D314 VanDerWaalsContact O-CG 3.24Å; R310-D314 PolarHBondContact O-N 3Å; F311-D314 PolarHBondContact O-N 3.41Å; T312-D314 VanDerWaalsContact C-N 3.33Å; T312-D314 PolarHBondContact O-N 3.48Å
315H89.3Confident88.8Confident128 Ų12868 Ų6859%0.59332%0.323SS*.Hα-helixtrans-98.4-10.2-177.3-68.480.7000115.5F311 T312 W313F311-H315 AromaticContact CD2-CE1 3.6Å; F311-H315 AromaticContact CD2-ND1 3.9Å; F311-H315 AromaticContact CE2-CE1 3.22Å; F311-H315 WeakPolarHBondContact CE2-CE1 3.48Å; F311-H315 AromaticContact CE2-ND1 3.78Å; F311-H315 AromaticContact CE2-NE2 3.9Å; F311-H315 AromaticContact CZ-CE1 3.58Å; F311-H315 AromaticContact CZ-ND1 3.86Å; F311-H315 AromaticContact CZ-NE2 3.99Å; F311-H315 PolarHBondContact O-N 3.46Å; F311-H315 PolarHBondContact O-ND1 3.31Å; T312-H315 PolarHBondContact O-N 2.98Å; W313-H315 VanDerWaalsContact C-N 3.28Å; W313-H315 PolarHBondContact O-N 2.68Å
316I90.6Very high89Confident19 Ų1970.8 Ų70.810%0.09735%0.347CS..SBendtrans-70.3138.5175.5-162.5168.8000110.1M250 L302 V303 T306 T312 W313 Q318 L320 K321M250-I316 HydrophobicContact CE-CD1 4.46Å; L302-I316 HydrophobicContact CB-CD1 4.34Å; V303-I316 HydrophobicContact CG2-CD1 3.99Å; T306-I316 HydrophobicContact CG2-CD1 3.81Å; T312-I316 PolarHBondContact O-N 2.71Å; T312-I316 VanDerWaalsContact O-N 3.1Å; W313-I316 HydrophobicContact CE3-CG2 4.46Å; W313-I316 WeakPolarHBondContact O-CG2 3.34Å; I316-Q318 PolarHBondContact O-N 3.3Å; I316-L320 HydrophobicContact CD1-CD1 4.11Å; I316-L320 HydrophobicContact CG1-CB 4.41Å; I316-L320 HydrophobicContact CG1-CD1 3.93Å; I316-K321 HydrophobicContact CG2-CD 4.22Å; I316-K321 HydrophobicContact CG2-CG 3.94Å
317P94.4Very high89.3Confident69 Ų6972.5 Ų72.545%0.44836%0.358SS..  trans-53.8136.3-179.4-28.134.2000113.3Q319 L320 K321P317-Q319 PolarHBondContact O-N 3.41Å; P317-L320 HydrophobicContact CB-CG 4.48Å; P317-L320 HydrophobicContact CG-CD1 4.48Å; P317-L320 WeakPolarHBondContact O-CB 3.3Å; P317-L320 PolarHBondContact O-N 2.94Å; P317-K321 PolarHBondContact O-N 2.82Å
318Q94.1Very high89.6Confident102 Ų10272.5 Ų72.548%0.47736%0.359SS..Hα-helixtrans-57.9-36-178.1-172.559.341.800112.2I316 L320 K321 D322I316-Q318 PolarHBondContact O-N 3.3Å; Q318-L320 PolarHBondContact O-N 3.08Å; Q318-L320 VanDerWaalsContact O-N 3.17Å; Q318-K321 WeakPolarHBondContact O-CA 3.43Å; Q318-K321 WeakPolarHBondContact O-CB 3.31Å; Q318-K321 PolarHBondContact O-N 3.24Å; Q318-D322 PolarHBondContact NE2-OD1 3.41Å; Q318-D322 PolarHBondContact O-N 2.96Å
319Q96.5Very high90Very high138 Ų13875 Ų7565%0.64537%0.369SS*.Hα-helixtrans-59.2-31.2177.9-59.183.6-4.900112.7P317 A323P317-Q319 PolarHBondContact O-N 3.41Å; Q319-A323 WeakPolarHBondContact O-CB 3.28Å; Q319-A323 PolarHBondContact O-N 2.99Å
320L94.9Very high90.6Very high41 Ų4178 Ų7822%0.21538%0.379CS..Hα-helixtrans-73.7-37.5175.2-67.5-177.4000111.5V303 I316 P317 Q318 A323 H324V303-L320 HydrophobicContact CG2-CB 4Å; V303-L320 WeakPolarHBondContact CG2-O 3.48Å; I316-L320 HydrophobicContact CD1-CD1 4.11Å; I316-L320 HydrophobicContact CG1-CB 4.41Å; I316-L320 HydrophobicContact CG1-CD1 3.93Å; P317-L320 HydrophobicContact CB-CG 4.48Å; P317-L320 HydrophobicContact CG-CD1 4.48Å; P317-L320 WeakPolarHBondContact O-CB 3.3Å; P317-L320 PolarHBondContact O-N 2.94Å; Q318-L320 PolarHBondContact O-N 3.08Å; Q318-L320 VanDerWaalsContact O-N 3.17Å; L320-A323 PolarHBondContact O-N 3.01Å; L320-H324 WeakPolarHBondContact O-CB 3.37Å; L320-H324 PolarHBondContact O-N 3.3Å
321K92.9Very high91.3Very high24 Ų2469.3 Ų69.310%0.10435%0.347CS..Hα-helixtrans-62.8-47.6174.5-57.1-179.4-176.61780110.4W313 I316 P317 Q318 A323 H324 E325W313-K321 HydrophobicContact CE3-CD 4.35Å; W313-K321 HydrophobicContact CE3-CG 4.49Å; W313-K321 HydrophobicContact CH2-CB 4.28Å; W313-K321 HydrophobicContact CH2-CD 3.71Å; W313-K321 HydrophobicContact CH2-CG 3.9Å; W313-K321 HydrophobicContact CZ2-CD 3.91Å; W313-K321 HydrophobicContact CZ3-CD 3.91Å; W313-K321 HydrophobicContact CZ3-CG 3.81Å; W313-K321 WeakPolarHBondContact O-CE 3.25Å; W313-K321 PolarHBondContact O-NZ 3.45Å; I316-K321 HydrophobicContact CG2-CD 4.22Å; I316-K321 HydrophobicContact CG2-CG 3.94Å; P317-K321 PolarHBondContact O-N 2.82Å; Q318-K321 WeakPolarHBondContact O-CA 3.43Å; Q318-K321 WeakPolarHBondContact O-CB 3.31Å; Q318-K321 PolarHBondContact O-N 3.24Å; K321-A323 VanDerWaalsContact C-N 3.35Å; K321-A323 PolarHBondContact O-N 3.42Å; K321-H324 WeakPolarHBondContact O-CB 3.41Å; K321-H324 PolarHBondContact O-N 3.28Å; K321-E325 PolarHBondContact O-N 3.44Å
322D96Very high91.9Very high76 Ų7664.1 Ų64.141%0.40633%0.325SS..Hα-helixtrans-63.4-41.2178.5-54.9-19.9000111.1Q318 E325 A326Q318-D322 PolarHBondContact NE2-OD1 3.41Å; Q318-D322 PolarHBondContact O-N 2.96Å; D322-E325 PolarHBondContact O-N 2.83Å; D322-A326 VanDerWaalsContact O-CB 3.28Å; D322-A326 WeakPolarHBondContact O-CB 3.5Å; D322-A326 PolarHBondContact O-N 2.91Å
323A96.2Very high92.3Very high37 Ų3763.6 Ų63.631%0.30632%0.322SS..Hα-helixtrans-65.7-37.6175.400000112.5V300 Q319 L320 K321 T327V300-A323 HydrophobicContact CG2-CB 4.07Å; Q319-A323 WeakPolarHBondContact O-CB 3.28Å; Q319-A323 PolarHBondContact O-N 2.99Å; L320-A323 PolarHBondContact O-N 3.01Å; K321-A323 VanDerWaalsContact C-N 3.35Å; K321-A323 PolarHBondContact O-N 3.42Å; A323-T327 WeakPolarHBondContact O-CB 3.27Å; A323-T327 WeakPolarHBondContact O-CG2 3.34Å; A323-T327 PolarHBondContact O-N 3.48Å; A323-T327 VanDerWaalsContact O-N 3.17Å; A323-T327 PolarHBondContact O-OG1 2.85Å
324H94.8Very high92.6Very high17 Ų1760.9 Ų60.98%0.07931%0.312CS..Hα-helixtrans-64.5-48.8174.1175.258.9000111.4V300 V303 F307 L320 K321 A326 T327 E328 A333V300-H324 HydrophobicContact CG1-CB 4.15Å; V303-H324 HydrophobicContact CB-CB 3.88Å; V303-H324 HydrophobicContact CG1-CB 3.94Å; V303-H324 HydrophobicContact CG2-CB 3.89Å; F307-H324 AromaticContact CZ-NE2 3.82Å; L320-H324 WeakPolarHBondContact O-CB 3.37Å; L320-H324 PolarHBondContact O-N 3.3Å; K321-H324 WeakPolarHBondContact O-CB 3.41Å; K321-H324 PolarHBondContact O-N 3.28Å; H324-A326 VanDerWaalsContact C-N 3.34Å; H324-A326 PolarHBondContact O-N 2.8Å; H324-T327 CarbonylContact O-C 3.59Å; H324-T327 PolarHBondContact O-N 2.89Å; H324-T327 VanDerWaalsContact O-N 3.08Å; H324-T327 PolarHBondContact O-OG1 3.06Å; H324-T327 VanDerWaalsContact O-OG1 3.11Å; H324-E328 PolarHBondContact O-N 2.85Å; H324-A333 PolarHBondContact CE1-O 3.41Å
325E91.7Very high92.8Very high131 Ų13159.8 Ų59.861%0.61231%0.312SS*.Hα-helixtrans-58.3-45.1175.8-174.1-179.2172.400111.6K321 D322 T327 E328K321-E325 PolarHBondContact O-N 3.44Å; D322-E325 PolarHBondContact O-N 2.83Å; E325-T327 PolarHBondContact O-N 3.41Å; E325-E328 PolarHBondContact O-N 2.79Å
326A93.6Very high92.8Very high63 Ų6354 Ų5452%0.52129%0.285SS..Hα-helixtrans-63.1-25178.200000113.6D322 H324D322-A326 VanDerWaalsContact O-CB 3.28Å; D322-A326 WeakPolarHBondContact O-CB 3.5Å; D322-A326 PolarHBondContact O-N 2.91Å; H324-A326 VanDerWaalsContact C-N 3.34Å; H324-A326 PolarHBondContact O-N 2.8Å
327T93.9Very high92.3Very high37 Ų3754.2 Ų54.223%0.22729%0.292CS..Hα-helixtrans-103.6-8.7-177.756.60000114.3V300 A323 H324 E325 K329 Y330V300-T327 WeakPolarHBondContact CG1-OG1 3.08Å; A323-T327 WeakPolarHBondContact O-CB 3.27Å; A323-T327 WeakPolarHBondContact O-CG2 3.34Å; A323-T327 PolarHBondContact O-N 3.48Å; A323-T327 VanDerWaalsContact O-N 3.17Å; A323-T327 PolarHBondContact O-OG1 2.85Å; H324-T327 CarbonylContact O-C 3.59Å; H324-T327 PolarHBondContact O-N 2.89Å; H324-T327 VanDerWaalsContact O-N 3.08Å; H324-T327 PolarHBondContact O-OG1 3.06Å; H324-T327 VanDerWaalsContact O-OG1 3.11Å; E325-T327 PolarHBondContact O-N 3.41Å; T327-K329 VanDerWaalsContact C-N 3.31Å; T327-K329 PolarHBondContact O-N 2.92Å; T327-Y330 WeakPolarHBondContact O-CB 3.49Å; T327-Y330 PolarHBondContact O-N 3.38Å
328E90.3Very high91.4Very high97 Ų9752.4 Ų52.445%0.45328%0.278SS..Hα-helixtrans-55-43.9-176.5-173.9179.3-163.100112.2H324 E325 Y330 H331H324-E328 PolarHBondContact O-N 2.85Å; E325-E328 PolarHBondContact O-N 2.79Å; E328-Y330 PolarHBondContact O-N 3.29Å; E328-Y330 VanDerWaalsContact O-N 3.09Å; E328-H331 WeakPolarHBondContact O-CA 3.13Å; E328-H331 PolarHBondContact O-N 3.14Å
329K89.6Confident90.5Very high74 Ų7449 Ų4932%0.32226%0.262SS..THydrogen-bonded Turntrans-60.6-20.617868.2-177.4-179.9-176.20114.9L4 Q60 T327L4-K329 HydrophobicContact CD1-CB 4.01Å; L4-K329 HydrophobicContact CD1-CD 4.22Å; L4-K329 HydrophobicContact CD1-CG 4.07Å; L4-K329 WeakPolarHBondContact CD1-O 3.34Å; L4-K329 HydrophobicContact CD2-CD 4.41Å; L4-K329 HydrophobicContact CG-CD 4.33Å; Q60-K329 PolarHBondContact NE2-O 3.34Å; T327-K329 VanDerWaalsContact C-N 3.31Å; T327-K329 PolarHBondContact O-N 2.92Å
330Y92.3Very high89.4Confident82 Ų8243.3 Ų43.332%0.32224%0.238SC..THydrogen-bonded Turntrans-93.8-0.2176-58.8-78.5000112.3L4 W52 L56 T327 E328 I332L4-Y330 HydrophobicContact CD2-CD1 3.79Å; L4-Y330 HydrophobicContact CD2-CE1 3.14Å; W52-Y330 HydrophobicContact CH2-CD1 4.42Å; W52-Y330 VanDerWaalsContact CZ2-O 3.27Å; W52-Y330 WeakPolarHBondContact CZ2-O 3.46Å; L56-Y330 HydrophobicContact CD2-CD1 4.23Å; T327-Y330 WeakPolarHBondContact O-CB 3.49Å; T327-Y330 PolarHBondContact O-N 3.38Å; E328-Y330 PolarHBondContact O-N 3.29Å; E328-Y330 VanDerWaalsContact O-N 3.09Å; Y330-I332 VanDerWaalsContact C-N 3.28Å; Y330-I332 PolarHBondContact O-N 3.35Å
331H92.3Very high88.8Confident13 Ų1344.1 Ų44.16%0.0625%0.247CC..THydrogen-bonded Turntrans59.535.8176.6-68-66000114.1V59 L75 E328 H334V59-H331 WeakPolarHBondContact CG1-NE2 3.35Å; L75-H331 HydrophobicContact CB-CB 3.72Å; L75-H331 HydrophobicContact CD1-CB 3.58Å; L75-H331 WeakPolarHBondContact CD1-CD2 3.43Å; L75-H331 HydrophobicContact CG-CB 4.27Å; E328-H331 WeakPolarHBondContact O-CA 3.13Å; E328-H331 PolarHBondContact O-N 3.14Å; H331-H334 WeakPolarHBondContact CA-CE1 3.32Å; H331-H334 WeakPolarHBondContact CB-CE1 3.25Å; H331-H334 AromaticContact CE1-NE2 3.81Å; H331-H334 AromaticContact CG-CE1 3.62Å; H331-H334 AromaticContact CG-NE2 3.74Å; H331-H334 AromaticContact ND1-CE1 3.14Å; H331-H334 PolarHBondContact ND1-CE1 2.92Å; H331-H334 AromaticContact ND1-NE2 2.84Å; H331-H334 PolarHBondContact ND1-NE2 3.17Å
332I93.3Very high88.5Confident14 Ų1443.4 Ų43.47%0.07225%0.245CC..SBendtrans-74.9-33.4-176.4-57.4-61.3000112.8W52 E76 F79 V297 Y330W52-I332 HydrophobicContact CZ2-CD1 3.97Å; E76-I332 WeakPolarHBondContact CG-O 3.23Å; F79-I332 HydrophobicContact CB-CD1 4.35Å; F79-I332 HydrophobicContact CD1-CD1 3.74Å; F79-I332 HydrophobicContact CD1-CG2 4.35Å; F79-I332 HydrophobicContact CD2-CD1 3.62Å; F79-I332 HydrophobicContact CE1-CD1 3.87Å; F79-I332 HydrophobicContact CE1-CG2 4.39Å; F79-I332 HydrophobicContact CE2-CD1 3.75Å; F79-I332 HydrophobicContact CG-CD1 3.61Å; F79-I332 HydrophobicContact CZ-CD1 3.87Å; V297-I332 HydrophobicContact CG1-CG2 4.16Å; V297-I332 HydrophobicContact CG2-CG2 4.24Å; Y330-I332 VanDerWaalsContact C-N 3.28Å; Y330-I332 PolarHBondContact O-N 3.35Å
333A92.9Very high88.1Confident1 Ų141 Ų411%0.00823%0.233CC..SBendtrans-151.3136.7176.900000111.1E76 V300 P304 H324E76-A333 VanDerWaalsContact OE2-CA 3.32Å; E76-A333 WeakPolarHBondContact OE2-CA 3.43Å; V300-A333 HydrophobicContact CG1-CB 4.02Å; P304-A333 HydrophobicContact CG-CB 4.21Å; H324-A333 PolarHBondContact CE1-O 3.41Å
334H90.5Very high87.5Confident26 Ų2639.7 Ų39.712%0.1222%0.222CC..  trans-137.1166.6176.2-60.586.6000114.6E76 P304 H331 Y336E76-H334 PolarHBondContact OE2-N 3.35Å; E76-H334 IonicContact OE2-ND1 2.94Å; P304-H334 WeakPolarHBondContact CB-O 3.49Å; H331-H334 WeakPolarHBondContact CA-CE1 3.32Å; H331-H334 WeakPolarHBondContact CB-CE1 3.25Å; H331-H334 AromaticContact CE1-NE2 3.81Å; H331-H334 AromaticContact CG-CE1 3.62Å; H331-H334 AromaticContact CG-NE2 3.74Å; H331-H334 AromaticContact ND1-CE1 3.14Å; H331-H334 PolarHBondContact ND1-CE1 2.92Å; H331-H334 AromaticContact ND1-NE2 2.84Å; H331-H334 PolarHBondContact ND1-NE2 3.17Å; H334-Y336 HydrophobicContact CB-CE1 4.27Å
335S88.3Confident87.2Confident66 Ų6643 Ų4346%0.46224%0.243SC..  trans-84.3149.1165.755.70000111.1
336Y88.6Confident87Confident7 Ų739.8 Ų39.83%0.02725%0.246CC..  trans-130.6138.7-177.8-59.4-60.4000110.8Q69 L73 E76 L111 L115 A118 H334Q69-Y336 HydrophobicContact CG-CD1 3.58Å; Q69-Y336 HydrophobicContact CG-CE1 4.16Å; L73-Y336 HydrophobicContact CB-CE1 4.22Å; L73-Y336 HydrophobicContact CD1-CE1 4.19Å; L73-Y336 HydrophobicContact CD1-CE2 4.35Å; L73-Y336 VanDerWaalsContact CD1-OH 3.28Å; L73-Y336 WeakPolarHBondContact CD1-OH 3.37Å; E76-Y336 VanDerWaalsContact CD-OH 3.3Å; E76-Y336 PolarHBondContact OE2-OH 3.04Å; L111-Y336 HydrophobicContact CD1-CE2 3.89Å; L115-Y336 HydrophobicContact CB-CD2 3.99Å; L115-Y336 HydrophobicContact CB-CE2 4.24Å; L115-Y336 HydrophobicContact CD1-CD1 3.92Å; L115-Y336 HydrophobicContact CD1-CD2 3.77Å; L115-Y336 HydrophobicContact CD1-CE1 4.42Å; L115-Y336 HydrophobicContact CD1-CE2 4.27Å; L115-Y336 HydrophobicContact CD1-CG 3.53Å; A118-Y336 VanDerWaalsContact CB-O 3.32Å; A118-Y336 WeakPolarHBondContact CB-O 3.44Å; H334-Y336 HydrophobicContact CB-CE1 4.27Å
337G81.2Confident86.9Confident23 Ų2337 Ų3724%0.23722%0.224CC..  trans-173.533.2-173.600000116.1F339 A340G337-F339 PolarHBondContact O-N 2.77Å; G337-A340 WeakPolarHBondContact O-CB 3.42Å; G337-A340 PolarHBondContact O-N 3.34Å
338L75.3Confident87Confident32 Ų3235.3 Ų35.317%0.16821%0.213CC..THydrogen-bonded Turntrans-51.4134.1177.2-86.9162.3000112.3Q69 K123 F211 A340Q69-L338 HydrophobicContact CB-CD1 3.83Å; Q69-L338 HydrophobicContact CB-CG 4.06Å; Q69-L338 HydrophobicContact CG-CD1 4.3Å; Q69-L338 HydrophobicContact CG-CG 4.47Å; Q69-L338 VanDerWaalsContact OE1-N 3.17Å; K123-L338 PolarHBondContact NZ-O 3.45Å; F211-L338 HydrophobicContact CE2-CD1 4.5Å; L338-A340 VanDerWaalsContact C-N 3.26Å; L338-A340 PolarHBondContact O-N 2.96Å
339F74.6Confident87.3Confident31 Ų3131.5 Ų31.514%0.13620%0.197CC..THydrogen-bonded Turntrans54.239.3-179.1-48.4-77.1000113.1W131 Y208 G337 S341 W391 W394W131-F339 WeakPolarHBondContact CZ2-O 3.4Å; Y208-F339 HydrophobicContact CD1-CE2 4.49Å; Y208-F339 AromaticContact CE1-CE2 3.57Å; Y208-F339 HydrophobicContact CE1-CE2 3.57Å; Y208-F339 AromaticContact CE1-CZ 3.77Å; Y208-F339 HydrophobicContact CE1-CZ 3.77Å; G337-F339 PolarHBondContact O-N 2.77Å; F339-S341 VanDerWaalsContact C-N 3.33Å; F339-W391 HydrophobicContact CZ-CH2 4.47Å; F339-W394 HydrophobicContact CD1-CH2 4.19Å; F339-W394 AromaticContact CE1-CH2 3.64Å; F339-W394 HydrophobicContact CE1-CH2 3.64Å; F339-W394 AromaticContact CE1-CZ2 3.88Å; F339-W394 HydrophobicContact CE1-CZ2 3.88Å; F339-W394 HydrophobicContact CE1-CZ3 4.47Å
340A74.4Confident87.6Confident18 Ų1828 Ų2815%0.14918%0.181CC..SBendtrans-55.1-51.8171.400000110.1V122 I126 W131 G337 L338V122-A340 HydrophobicContact CB-CB 4.25Å; V122-A340 HydrophobicContact CG2-CB 3.84Å; I126-A340 HydrophobicContact CD1-CB 3.81Å; I126-A340 VanDerWaalsContact CG2-O 3.23Å; I126-A340 WeakPolarHBondContact CG2-O 3.23Å; W131-A340 VanDerWaalsContact CD1-O 3.25Å; W131-A340 PolarHBondContact NE1-O 3.45Å; G337-A340 WeakPolarHBondContact O-CB 3.42Å; G337-A340 PolarHBondContact O-N 3.34Å; L338-A340 VanDerWaalsContact C-N 3.26Å; L338-A340 PolarHBondContact O-N 2.96Å
341S81.4Confident87.9Confident58 Ų5824 Ų2441%0.40617%0.166SC..SBendtrans-93.4138.5168.8177.70000110.6D128 F339 T343D128-S341 PolarHBondContact OD2-OG 3.28Å; F339-S341 VanDerWaalsContact C-N 3.33Å; S341-T343 PolarHBondContact O-N 3.25Å
342M87.9Confident88.1Confident9 Ų923.7 Ų23.74%0.04417%0.165CC..PPolyproline II helixtrans-73.5119.8175.2-170.256.452.900109.8D128 T130 W131 A136 Y139 H140 V345D128-M342 WeakPolarHBondContact OD2-CB 3.37Å; D128-M342 PolarHBondContact OD2-N 3.19Å; T130-M342 HydrophobicContact CG2-CB 4.35Å; T130-M342 HydrophobicContact CG2-CG 4.48Å; T130-M342 WeakPolarHBondContact OG1-CB 3.49Å; W131-M342 HydrophobicContact CH2-CE 3.66Å; W131-M342 HydrophobicContact CZ2-CE 3.31Å; W131-M342 HydrophobicContact CZ3-CE 4.45Å; A136-M342 HydrophobicContact CB-CE 3.52Å; Y139-M342 HydrophobicContact CD2-CG 4.47Å; H140-M342 HydrophobicContact CB-CE 4.09Å; H140-M342 HydrophobicContact CB-SD 3.87Å; M342-V345 HydrophobicContact CG-CG2 4.4Å
343T86.6Confident88.3Confident25 Ų2523.1 Ų23.115%0.15316%0.162CC..PPolyproline II helixtrans-87.8159.2173.860.20000110.2S143 S341 V345 W394 L398S143-T343 WeakPolarHBondContact CB-O 3.3Å; S143-T343 PolarHBondContact OG-O 3.49Å; S341-T343 PolarHBondContact O-N 3.25Å; T343-V345 PolarHBondContact O-N 3.08Å; T343-W394 HydrophobicContact CG2-CH2 4.15Å; T343-W394 HydrophobicContact CG2-CZ2 4.14Å; T343-W394 WeakPolarHBondContact OG1-CZ2 3.48Å; T343-L398 HydrophobicContact CG2-CD1 3.87Å; T343-L398 HydrophobicContact CG2-CD2 3.88Å
344G84.4Confident88.6Confident9 Ų923.6 Ų23.69%0.09316%0.164CC..  trans76.816.1173.600000115.8G346 G347G344-G346 PolarHBondContact O-N 3.34Å; G344-G346 VanDerWaalsContact O-N 3.14Å; G344-G347 WeakPolarHBondContact CA-O 3.5Å; G344-G347 CarbonylContact O-C 3.59Å; G344-G347 WeakPolarHBondContact O-CA 3.3Å; G344-G347 PolarHBondContact O-N 3.36Å
345V87.1Confident88.9Confident86 Ų8622.4 Ų22.452%0.52116%0.158SC..THydrogen-bonded Turntrans-60.4116.3165.1-177.60000108.2T130 Y139 M342 T343T130-V345 HydrophobicContact CG2-CG2 3.95Å; Y139-V345 HydrophobicContact CD2-CG2 4.48Å; Y139-V345 HydrophobicContact CE1-CG1 4.49Å; Y139-V345 HydrophobicContact CG-CG2 4.43Å; M342-V345 HydrophobicContact CG-CG2 4.4Å; T343-V345 PolarHBondContact O-N 3.08Å
346G88.1Confident89.4Confident64 Ų6419.2 Ų19.266%0.6614%0.136SC*.THydrogen-bonded Turntrans89.15.3-170.900000115.3G344G344-G346 PolarHBondContact O-N 3.34Å; G344-G346 VanDerWaalsContact O-N 3.14Å
347G92.5Very high89.8Confident6 Ų623.6 Ų23.66%0.06216%0.16CC..SBendtrans119.5143.5176.900000112.6G344 P349 Y445 N446G344-G347 WeakPolarHBondContact CA-O 3.5Å; G344-G347 CarbonylContact O-C 3.59Å; G344-G347 WeakPolarHBondContact O-CA 3.3Å; G344-G347 PolarHBondContact O-N 3.36Å; G347-P349 WeakPolarHBondContact O-CD 3.4Å; G347-Y445 CarbonylContact C-O 3.58Å; G347-N446 WeakPolarHBondContact CA-OD1 3.49Å
348R95.3Very high90.4Very high0 Ų030 Ų300%018%0.182CC..EExtended strand (participates in β ladder)trans-61117.3178.3176.4-147.6175.489.53.9110N142 Q144 C145 E350 T444 Y445N142-R348 PolarHBondContact O-NH1 3.24Å; Q144-R348 PolarHBondContact O-NH1 3.43Å; C145-R348 PolarHBondContact O-NH1 2.91Å; C145-R348 PolarHBondContact O-NH2 3.36Å; R348-E350 IonicContact CZ-OE2 2.77Å; R348-E350 VanDerWaalsContact CZ-OE2 3.31Å; R348-E350 IonicContact NE-OE2 2.71Å; R348-E350 PolarHBondContact NE-OE2 2.97Å; R348-E350 IonicContact NH2-OE2 2.87Å; R348-E350 PolarHBondContact NH2-OE2 3.21Å; R348-T444 CarbonylContact O-C 3.42Å; R348-T444 WeakPolarHBondContact O-CA 3.24Å; R348-Y445 WeakPolarHBondContact CB-O 3.42Å; R348-Y445 PolarHBondContact N-O 3.42Å; R348-Y445 PolarHBondContact O-N 3.22Å
349P96Very high91.3Very high17 Ų1732.3 Ų32.311%0.1119%0.193CC..EExtended strand (participates in β ladder)trans-66.5139.4172.927.8-31.8000110G347 S397 L398 L442 Y443G347-P349 WeakPolarHBondContact O-CD 3.4Å; P349-S397 PolarHBondContact O-OG 2.66Å; P349-L398 HydrophobicContact CG-CD2 3.68Å; P349-L442 HydrophobicContact CB-CD1 4.11Å; P349-Y443 CarbonylContact C-O 3.54Å; P349-Y443 WeakPolarHBondContact CA-O 3.16Å
350E96.9Very high92.2Very high0 Ų038.6 Ų38.60%023%0.228CC..EExtended strand (participates in β ladder)trans-148.8126.3-176.3-164.548.7-93.600110.8R348 K371 Y443 Y445R348-E350 IonicContact CZ-OE2 2.77Å; R348-E350 VanDerWaalsContact CZ-OE2 3.31Å; R348-E350 IonicContact NE-OE2 2.71Å; R348-E350 PolarHBondContact NE-OE2 2.97Å; R348-E350 IonicContact NH2-OE2 2.87Å; R348-E350 PolarHBondContact NH2-OE2 3.21Å; E350-K371 WeakPolarHBondContact OE1-CE 3.4Å; E350-K371 IonicContact OE1-NZ 3.54Å; E350-K371 PolarHBondContact OE1-NZ 2.72Å; E350-K371 IonicContact OE2-NZ 2.8Å; E350-Y443 PolarHBondContact N-O 2.97Å; E350-Y443 PolarHBondContact O-N 3.46Å; E350-Y445 HydrophobicContact CB-CD2 3.42Å; E350-Y445 VanDerWaalsContact CB-CD2 3.42Å; E350-Y445 HydrophobicContact CB-CE2 3.58Å; E350-Y445 HydrophobicContact CB-CG 4.29Å; E350-Y445 HydrophobicContact CG-CD2 3.91Å; E350-Y445 HydrophobicContact CG-CE2 3.72Å
351I97.4Very high93.1Very high0 Ų039.2 Ų39.20%024%0.237CC..EExtended strand (participates in β ladder)trans-89.9121.7179-62.6168.5000108.4M393 A396 F408 A440 L442 F466I351-M393 HydrophobicContact CB-CE 3.74Å; I351-M393 HydrophobicContact CD1-CE 4.48Å; I351-M393 HydrophobicContact CG2-CE 3.85Å; I351-A396 HydrophobicContact CD1-CB 3.77Å; I351-F408 HydrophobicContact CG2-CE2 4.24Å; I351-F408 HydrophobicContact CG2-CZ 4.29Å; I351-A440 HydrophobicContact CG2-CB 3.92Å; I351-L442 HydrophobicContact CG1-CD1 3.97Å; I351-F466 HydrophobicContact CD1-CD1 3.9Å; I351-F466 HydrophobicContact CD1-CD2 4.48Å; I351-F466 HydrophobicContact CD1-CE1 3.51Å; I351-F466 HydrophobicContact CD1-CE2 4.16Å; I351-F466 HydrophobicContact CD1-CG 4.37Å; I351-F466 HydrophobicContact CD1-CZ 3.68Å; I351-F466 HydrophobicContact CG1-CD1 4.26Å; I351-F466 HydrophobicContact CG1-CE1 4.35Å; I351-F466 HydrophobicContact CG1-CG 4.36Å; I351-F466 HydrophobicContact CG2-CD1 4.33Å
352V97.7Very high93.8Very high6 Ų642.2 Ų42.24%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-107.6121.6174.6179.20000108.6E354 E365 A440 T441 Y443 Y445V352-E354 HydrophobicContact CG1-CG 4.25Å; V352-E365 HydrophobicContact CG1-CB 4.21Å; V352-E365 HydrophobicContact CG1-CG 3.64Å; V352-A440 WeakPolarHBondContact O-CA 3.26Å; V352-T441 PolarHBondContact N-O 2.87Å; V352-T441 PolarHBondContact O-N 3.47Å; V352-Y443 HydrophobicContact CB-CD2 3.8Å; V352-Y443 HydrophobicContact CB-CE2 3.79Å; V352-Y443 HydrophobicContact CG1-CE2 4.37Å; V352-Y443 HydrophobicContact CG2-CD2 3.48Å; V352-Y443 VanDerWaalsContact CG2-CD2 3.48Å; V352-Y443 HydrophobicContact CG2-CE2 3.87Å; V352-Y443 HydrophobicContact CG2-CG 4.24Å; V352-Y445 HydrophobicContact CG2-CE2 4.48Å
353L97.9Very high94.3Very high1 Ų143.7 Ų43.71%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-88.4133.1174.4-68.8178.3000109.6E365 Y366 F368 F408 M411 L415 I438 A440L353-E365 CarbonylContact O-C 3.55Å; L353-E365 WeakPolarHBondContact O-CA 3.3Å; L353-Y366 HydrophobicContact CB-CD2 4.35Å; L353-Y366 PolarHBondContact O-N 3.32Å; L353-F368 HydrophobicContact CD1-CE2 4.35Å; L353-F368 HydrophobicContact CD1-CZ 3.9Å; L353-F408 HydrophobicContact CD2-CE2 4.12Å; L353-F408 HydrophobicContact CD2-CZ 3.8Å; L353-M411 HydrophobicContact CD1-CE 3.79Å; L353-L415 HydrophobicContact CD1-CD1 3.79Å; L353-I438 HydrophobicContact CD2-CG2 4.45Å; L353-A440 HydrophobicContact CD2-CB 3.69Å
354E97.8Very high94.8Very high12 Ų1247.2 Ų47.26%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-127.9135.1-179.9-61.6166.996.300109.4V352 W363 K364 E365 I438 R439 T441V352-E354 HydrophobicContact CG1-CG 4.25Å; E354-W363 HydrophobicContact CB-CB 4.19Å; E354-W363 HydrophobicContact CB-CD2 4.49Å; E354-W363 HydrophobicContact CB-CE3 3.75Å; E354-W363 WeakPolarHBondContact O-CZ3 3.49Å; E354-K364 CarbonylContact C-O 3.6Å; E354-K364 WeakPolarHBondContact CA-O 3.48Å; E354-E365 HydrophobicContact CG-CG 4.04Å; E354-I438 CarbonylContact O-C 3.56Å; E354-I438 VanDerWaalsContact O-CA 3.26Å; E354-I438 WeakPolarHBondContact O-CA 3.37Å; E354-R439 HydrophobicContact CB-CG 4.05Å; E354-R439 PolarHBondContact N-O 2.98Å; E354-R439 PolarHBondContact O-N 3.46Å; E354-R439 IonicContact OE1-CZ 3.78Å; E354-R439 IonicContact OE1-NE 3.77Å; E354-R439 IonicContact OE1-NH2 2.91Å; E354-R439 PolarHBondContact OE1-NH2 2.89Å; E354-R439 IonicContact OE2-CZ 3.43Å; E354-R439 IonicContact OE2-NE 2.8Å; E354-R439 PolarHBondContact OE2-NE 3.47Å; E354-R439 IonicContact OE2-NH2 3.25Å; E354-R439 PolarHBondContact OE2-NH2 2.87Å; E354-T441 PolarHBondContact OE2-OG1 3.41Å
355G98Very high95.4Very high0 Ų048.9 Ų48.90%028%0.276CS..EExtended strand (participates in β ladder)trans-104.7157.5171.400000112.3W363 K364 F431 Y437G355-W363 CarbonylContact O-C 3.52Å; G355-W363 VanDerWaalsContact O-CA 3.28Å; G355-W363 WeakPolarHBondContact O-CA 3.31Å; G355-K364 PolarHBondContact N-O 3.32Å; G355-K364 PolarHBondContact O-N 2.91Å; G355-F431 WeakPolarHBondContact O-CZ 3.47Å; G355-Y437 CarbonylContact C-O 3.5Å; G355-Y437 VanDerWaalsContact CA-O 3.25Å; G355-Y437 WeakPolarHBondContact CA-O 2.97Å
356A97.9Very high95.9Very high0 Ų045.1 Ų45.10%025%0.253CS..EExtended strand (participates in β ladder)trans-154.2154.1170.200000112.1W363 K436 Y437A356-W363 HydrophobicContact CB-CD2 3.52Å; A356-W363 HydrophobicContact CB-CE3 3.64Å; A356-W363 HydrophobicContact CB-CG 3.99Å; A356-W363 HydrophobicContact CB-CH2 4.16Å; A356-W363 HydrophobicContact CB-CZ2 4.04Å; A356-W363 HydrophobicContact CB-CZ3 3.95Å; A356-K436 PolarHBondContact O-N 3.26Å; A356-K436 VanDerWaalsContact O-N 3.15Å; A356-Y437 PolarHBondContact N-O 3.12Å; A356-Y437 PolarHBondContact O-N 3Å
357N96.8Very high96.3Very high98 Ų9843.9 Ų43.952%0.52423%0.231SC..SBendtrans-89.1-22.6173.9-70.2-24.5000113
358K95Very high96.5Very high159 Ų15943.8 Ų43.869%0.69123%0.229SC*.SBendtrans-135.2140.6177.5-62.3-176.6-179.1-179.20108.3N360 G361K358-N360 VanDerWaalsContact C-N 3.34Å; K358-N360 PolarHBondContact O-N 2.88Å; K358-G361 WeakPolarHBondContact O-CA 3.49Å; K358-G361 PolarHBondContact O-N 3Å
359I94Very high96.5Very high80 Ų8046.2 Ų46.241%0.4124%0.241SC..THydrogen-bonded Turntrans-59.6-42.5-176.1-166.473.4000112.5G361 W363 P469I359-G361 VanDerWaalsContact C-N 3.28Å; I359-G361 PolarHBondContact O-N 3.25Å; I359-W363 HydrophobicContact CD1-CZ2 4.18Å; I359-W363 PolarHBondContact O-NE1 3.45Å; I359-P469 HydrophobicContact CD1-CB 3.36Å; I359-P469 HydrophobicContact CD1-CG 3.71Å
360N93.3Very high96.5Very high162 Ų16246.7 Ų46.787%0.86624%0.241SC*.THydrogen-bonded Turntrans-91.417176-61.4-16.2000112.5K358K358-N360 VanDerWaalsContact C-N 3.34Å; K358-N360 PolarHBondContact O-N 2.88Å
361G93.6Very high96.5Very high32 Ų3246.9 Ų46.933%0.3324%0.242SC..SBendtrans-94-172.2-178.300000113.1K358 I359 W363K358-G361 WeakPolarHBondContact O-CA 3.49Å; K358-G361 PolarHBondContact O-N 3Å; I359-G361 VanDerWaalsContact C-N 3.28Å; I359-G361 PolarHBondContact O-N 3.25Å; G361-W363 VanDerWaalsContact O-CD1 3.27Å; G361-W363 PolarHBondContact O-N 2.72Å
362T95.6Very high96.4Very high121 Ų12147.3 Ų47.374%0.74225%0.245SC*.  trans-73.4125.1172.9-48.30000110.6
363W97.6Very high96.2Very high39 Ų3947.3 Ų47.315%0.14825%0.246CC..  trans-89.8137.6173.3-69.981000110E354 G355 A356 I359 G361 R439 P469E354-W363 HydrophobicContact CB-CB 4.19Å; E354-W363 HydrophobicContact CB-CD2 4.49Å; E354-W363 HydrophobicContact CB-CE3 3.75Å; E354-W363 WeakPolarHBondContact O-CZ3 3.49Å; G355-W363 CarbonylContact O-C 3.52Å; G355-W363 VanDerWaalsContact O-CA 3.28Å; G355-W363 WeakPolarHBondContact O-CA 3.31Å; A356-W363 HydrophobicContact CB-CD2 3.52Å; A356-W363 HydrophobicContact CB-CE3 3.64Å; A356-W363 HydrophobicContact CB-CG 3.99Å; A356-W363 HydrophobicContact CB-CH2 4.16Å; A356-W363 HydrophobicContact CB-CZ2 4.04Å; A356-W363 HydrophobicContact CB-CZ3 3.95Å; I359-W363 HydrophobicContact CD1-CZ2 4.18Å; I359-W363 PolarHBondContact O-NE1 3.45Å; G361-W363 VanDerWaalsContact O-CD1 3.27Å; G361-W363 PolarHBondContact O-N 2.72Å; W363-R439 HydrophobicContact CD2-CG 4.38Å; W363-R439 HydrophobicContact CE3-CG 3.72Å; W363-R439 HydrophobicContact CH2-CB 3.97Å; W363-R439 HydrophobicContact CH2-CG 3.92Å; W363-R439 HydrophobicContact CZ3-CB 3.81Å; W363-R439 HydrophobicContact CZ3-CG 3.48Å; W363-R439 VanDerWaalsContact CZ3-CG 3.48Å; W363-P469 HydrophobicContact CH2-CB 3.83Å; W363-P469 HydrophobicContact CH2-CG 3.88Å; W363-P469 HydrophobicContact CZ2-CB 4.22Å; W363-P469 HydrophobicContact CZ2-CG 3.96Å
364K97.5Very high96.1Very high100 Ų10047.7 Ų47.744%0.43525%0.249SC..EExtended strand (participates in β ladder)trans-121135.9177-55.3-176.2-179.1-177.70110.6E354 G355 P430 F431E354-K364 CarbonylContact C-O 3.6Å; E354-K364 WeakPolarHBondContact CA-O 3.48Å; G355-K364 PolarHBondContact N-O 3.32Å; G355-K364 PolarHBondContact O-N 2.91Å; K364-P430 HydrophobicContact CB-CB 3.83Å; K364-P430 HydrophobicContact CB-CG 4.06Å; K364-P430 HydrophobicContact CD-CB 4.06Å; K364-P430 PolarHBondContact NZ-O 3.08Å; K364-F431 HydrophobicContact CB-CE1 4.42Å; K364-F431 HydrophobicContact CB-CE2 4.07Å; K364-F431 HydrophobicContact CB-CZ 3.66Å; K364-F431 HydrophobicContact CD-CE1 4Å; K364-F431 HydrophobicContact CD-CZ 4.06Å; K364-F431 HydrophobicContact CG-CE1 4.28Å; K364-F431 HydrophobicContact CG-CZ 3.97Å
365E97.1Very high96Very high44 Ų4448.2 Ų48.221%0.20625%0.254CS..EExtended strand (participates in β ladder)trans-76.8134.3-176.5-66.2179.1-160.200112.5V352 L353 E354 P430 R460V352-E365 HydrophobicContact CG1-CB 4.21Å; V352-E365 HydrophobicContact CG1-CG 3.64Å; L353-E365 CarbonylContact O-C 3.55Å; L353-E365 WeakPolarHBondContact O-CA 3.3Å; E354-E365 HydrophobicContact CG-CG 4.04Å; E365-P430 WeakPolarHBondContact O-CG 3.29Å; E365-R460 IonicContact OE1-CZ 2.7Å; E365-R460 IonicContact OE1-NH1 2.65Å; E365-R460 PolarHBondContact OE1-NH1 3.46Å; E365-R460 IonicContact OE1-NH2 3.16Å; E365-R460 PolarHBondContact OE1-NH2 3.01Å; E365-R460 IonicContact OE2-CZ 3.55Å; E365-R460 IonicContact OE2-NH1 2.64Å; E365-R460 PolarHBondContact OE2-NH1 2.99Å; E365-R460 IonicContact OE2-NH2 3.62Å; E365-R460 PolarHBondContact OE2-NH2 2.91Å
366Y97.2Very high95.8Very high6 Ų655.8 Ų55.82%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-81.4116.5160.9-74.4-81.3000108.9L353 I426 P430 F431 P435 I438L353-Y366 HydrophobicContact CB-CD2 4.35Å; L353-Y366 PolarHBondContact O-N 3.32Å; Y366-I426 HydrophobicContact CD1-CD1 3.62Å; Y366-I426 HydrophobicContact CE1-CD1 4.13Å; Y366-P430 HydrophobicContact CD1-CG 4.3Å; Y366-P430 HydrophobicContact CE1-CG 4.34Å; Y366-F431 HydrophobicContact CE2-CD2 4.36Å; Y366-F431 HydrophobicContact CE2-CE2 4.16Å; Y366-F431 AromaticContact CZ-CD2 3.94Å; Y366-P435 WeakPolarHBondContact OH-CD 3.42Å; Y366-P435 VanDerWaalsContact OH-CG 3.28Å; Y366-P435 WeakPolarHBondContact OH-CG 3.41Å; Y366-I438 HydrophobicContact CE2-CD1 3.82Å; Y366-I438 HydrophobicContact CE2-CG1 4.19Å
367N96.5Very high95.7Very high38 Ų3859 Ų5920%0.20330%0.296CS..PPolyproline II helixtrans-85.2148.8171.4-71.6-62.3000110.4A374 D427N367-A374 PolarHBondContact OD1-N 3.07Å; N367-D427 HydrophobicContact CB-CB 3.82Å; N367-D427 WeakPolarHBondContact O-CB 3.09Å; N367-D427 PolarHBondContact O-N 3.36Å
368F96.6Very high95.6Very high5 Ų561.2 Ų61.22%0.02230%0.297CS..BIsolated β-bridgetrans-97.7163.1171.9-69.8-99.3000109.9L353 Y370 K371 R377 L389 M393 M411 I426L353-F368 HydrophobicContact CD1-CE2 4.35Å; L353-F368 HydrophobicContact CD1-CZ 3.9Å; F368-Y370 PolarHBondContact O-N 3.34Å; F368-K371 HydrophobicContact CB-CD 3.79Å; F368-K371 HydrophobicContact CB-CG 3.4Å; F368-K371 HydrophobicContact CD1-CD 4.11Å; F368-K371 HydrophobicContact CD2-CD 3.84Å; F368-K371 HydrophobicContact CD2-CG 4.27Å; F368-K371 HydrophobicContact CE2-CD 4.44Å; F368-K371 HydrophobicContact CG-CD 3.65Å; F368-K371 HydrophobicContact CG-CG 3.87Å; F368-R377 PolarHBondContact O-NH1 3.39Å; F368-L389 HydrophobicContact CD1-CD2 4.24Å; F368-L389 HydrophobicContact CD1-CG 4.36Å; F368-L389 HydrophobicContact CE1-CD2 4.03Å; F368-L389 HydrophobicContact CE1-CG 4.13Å; F368-M393 HydrophobicContact CD1-CG 4.28Å; F368-M393 HydrophobicContact CE1-CE 4.44Å; F368-M393 HydrophobicContact CE1-CG 3.58Å; F368-M393 HydrophobicContact CE1-SD 4.12Å; F368-M393 HydrophobicContact CE2-CE 4.07Å; F368-M393 HydrophobicContact CZ-CE 3.65Å; F368-M393 HydrophobicContact CZ-CG 3.76Å; F368-M393 HydrophobicContact CZ-SD 3.82Å; F368-M411 HydrophobicContact CE1-SD 4.49Å; F368-I426 HydrophobicContact CD1-CG2 3.99Å; F368-I426 HydrophobicContact CE1-CG2 4.01Å
369L95.6Very high95.7Very high50 Ų5054 Ų5426%0.26227%0.266SS..SBendtrans-69.3-34.2-172.2-68.5174.3000113.1R377 D427L369-R377 PolarHBondContact O-NH2 2.62Å; L369-D427 HydrophobicContact CD2-CB 4.42Å
370Y96.2Very high95.8Very high27 Ų2751.8 Ų51.811%0.10626%0.257CS..SBendtrans-135.7-35.3-167.1-53.4-67.4000114.9F368 P380 V382 H385 P387 D390 V517F368-Y370 PolarHBondContact O-N 3.34Å; Y370-P380 HydrophobicContact CD1-CG 4.42Å; Y370-P380 WeakPolarHBondContact O-CD 3.26Å; Y370-P380 WeakPolarHBondContact O-CG 3.48Å; Y370-V382 HydrophobicContact CD1-CB 4.49Å; Y370-V382 HydrophobicContact CD1-CG1 3.39Å; Y370-V382 HydrophobicContact CE1-CG1 3.78Å; Y370-V382 HydrophobicContact CG-CG1 4.13Å; Y370-H385 AromaticContact CE2-CD2 3.93Å; Y370-H385 AromaticContact CE2-NE2 3.63Å; Y370-H385 AromaticContact CZ-CD2 3.99Å; Y370-H385 AromaticContact CZ-NE2 3.97Å; Y370-P387 HydrophobicContact CD2-CB 3.57Å; Y370-P387 HydrophobicContact CD2-CG 3.48Å; Y370-P387 VanDerWaalsContact CD2-CG 3.48Å; Y370-P387 HydrophobicContact CE2-CB 4.33Å; Y370-P387 HydrophobicContact CE2-CG 4.09Å; Y370-P387 HydrophobicContact CG-CB 4.17Å; Y370-P387 HydrophobicContact CG-CG 3.77Å; Y370-D390 WeakPolarHBondContact CA-OD1 3.43Å; Y370-D390 WeakPolarHBondContact CB-OD1 3.34Å; Y370-D390 PolarHBondContact N-OD1 3.38Å; Y370-V517 HydrophobicContact CE1-CG2 3.63Å
371K96.6Very high95.9Very high4 Ų449.3 Ų49.32%0.01724%0.242CC..SBendtrans-66.9159.7174.859.1176.6-69-61.40112E350 F368 D390 M393E350-K371 WeakPolarHBondContact OE1-CE 3.4Å; E350-K371 IonicContact OE1-NZ 3.54Å; E350-K371 PolarHBondContact OE1-NZ 2.72Å; E350-K371 IonicContact OE2-NZ 2.8Å; F368-K371 HydrophobicContact CB-CD 3.79Å; F368-K371 HydrophobicContact CB-CG 3.4Å; F368-K371 HydrophobicContact CD1-CD 4.11Å; F368-K371 HydrophobicContact CD2-CD 3.84Å; F368-K371 HydrophobicContact CD2-CG 4.27Å; F368-K371 HydrophobicContact CE2-CD 4.44Å; F368-K371 HydrophobicContact CG-CD 3.65Å; F368-K371 HydrophobicContact CG-CG 3.87Å; K371-D390 HydrophobicContact CB-CB 3.97Å; K371-D390 HydrophobicContact CD-CB 4.35Å; K371-D390 HydrophobicContact CG-CB 4.07Å; K371-D390 WeakPolarHBondContact CG-OD1 3.18Å; K371-D390 PolarHBondContact N-OD1 3.21Å; K371-M393 HydrophobicContact CD-CB 3.76Å; K371-M393 HydrophobicContact CD-CG 4.36Å
372P96Very high95.9Very high10 Ų1047.9 Ų47.97%0.06523%0.227CC..  trans-53.5144.2172.1-27.237.9000112.5Y445 W458P372-Y445 HydrophobicContact CB-CD1 4.44Å; P372-W458 HydrophobicContact CB-CH2 4.49Å; P372-W458 HydrophobicContact CB-CZ2 4.01Å; P372-W458 HydrophobicContact CG-CH2 3.89Å; P372-W458 HydrophobicContact CG-CZ2 3.54Å
373G94.2Very high95.7Very high6 Ų643.2 Ų43.26%0.06220%0.197CC..  trans-152.9-104.8-177.700000109.1Y445G373-Y445 WeakPolarHBondContact O-CE1 3.42Å; G373-Y445 VanDerWaalsContact O-CZ 3.3Å; G373-Y445 PolarHBondContact O-OH 3.19Å
374A94.5Very high95.4Very high8 Ų842.8 Ų42.87%0.06620%0.199CC..SBendtrans-58.8136.4175.900000112.9N367 Y376 R377N367-A374 PolarHBondContact OD1-N 3.07Å; A374-Y376 VanDerWaalsContact C-N 3.32Å; A374-Y376 HydrophobicContact CB-CD1 3.99Å; A374-Y376 HydrophobicContact CB-CE1 3.49Å; A374-Y376 VanDerWaalsContact CB-CE1 3.49Å; A374-Y376 HydrophobicContact CB-CE2 4.16Å; A374-Y376 PolarHBondContact O-N 2.87Å; A374-R377 HydrophobicContact CB-CB 4.32Å; A374-R377 VanDerWaalsContact O-CB 3.27Å; A374-R377 WeakPolarHBondContact O-CB 3.34Å; A374-R377 PolarHBondContact O-N 3.32Å
375P95.7Very high95.3Very high24 Ų2439.5 Ų39.516%0.15619%0.186CC..THydrogen-bonded Turntrans-53.3-39.6-178.6-33.539.3000116.2R377 D456 W457 W458 R460P375-R377 PolarHBondContact O-N 3.36Å; P375-D456 HydrophobicContact CB-CB 4.35Å; P375-W457 PolarHBondContact O-N 3.4Å; P375-W458 WeakPolarHBondContact CB-O 3.33Å; P375-W458 PolarHBondContact O-N 3.41Å; P375-W458 VanDerWaalsContact O-N 3.11Å; P375-R460 HydrophobicContact CG-CG 4.23Å
376Y94.6Very high95.1Very high159 Ų15938.3 Ų38.362%0.62418%0.18SC*.THydrogen-bonded Turntrans-74.4-12.6178.861-98000113.4A374 R378 D456A374-Y376 VanDerWaalsContact C-N 3.32Å; A374-Y376 HydrophobicContact CB-CD1 3.99Å; A374-Y376 HydrophobicContact CB-CE1 3.49Å; A374-Y376 VanDerWaalsContact CB-CE1 3.49Å; A374-Y376 HydrophobicContact CB-CE2 4.16Å; A374-Y376 PolarHBondContact O-N 2.87Å; Y376-R378 PolarHBondContact O-N 2.97Å; Y376-D456 WeakPolarHBondContact CA-OD1 3.26Å; Y376-D456 VanDerWaalsContact CB-OD1 3.24Å; Y376-D456 WeakPolarHBondContact CB-OD1 3.36Å; Y376-D456 PolarHBondContact N-OD1 3.14Å
377R94.8Very high94.9Very high68 Ų6838.2 Ų38.226%0.25718%0.18SC..  trans-76115.7-173.9-171.5179.2-178.21556.7110.2F368 L369 A374 P375 D427 W458F368-R377 PolarHBondContact O-NH1 3.39Å; L369-R377 PolarHBondContact O-NH2 2.62Å; A374-R377 HydrophobicContact CB-CB 4.32Å; A374-R377 VanDerWaalsContact O-CB 3.27Å; A374-R377 WeakPolarHBondContact O-CB 3.34Å; A374-R377 PolarHBondContact O-N 3.32Å; P375-R377 PolarHBondContact O-N 3.36Å; R377-D427 IonicContact CZ-OD2 3.35Å; R377-D427 IonicContact NH1-OD2 3.34Å; R377-D427 PolarHBondContact NH1-OD2 2.95Å; R377-D427 IonicContact NH2-OD2 2.8Å; R377-W458 PolarHBondContact O-NE1 3.18Å
378R95Very high94.8Very high144 Ų14439.2 Ų39.254%0.54318%0.181SC..PPolyproline II helixtrans-58.4135.2171.7-176.7176.3180-164.5-1.4111.1P149 Y376 W457P149-R378 VanDerWaalsContact CB-NH2 3.3Å; P149-R378 HydrophobicContact CG-CG 4.13Å; Y376-R378 PolarHBondContact O-N 2.97Å; R378-W457 HydrophobicContact CB-CD2 4.18Å; R378-W457 HydrophobicContact CB-CG 4.36Å; R378-W457 HydrophobicContact CB-CZ2 4.14Å; R378-W457 HydrophobicContact CG-CD2 4.08Å; R378-W457 HydrophobicContact CG-CE3 4.45Å; R378-W457 HydrophobicContact CG-CH2 4.01Å; R378-W457 HydrophobicContact CG-CZ2 3.58Å; R378-W457 HydrophobicContact CG-CZ3 4.41Å
379P96.5Very high94.8Very high7 Ų739.7 Ų39.75%0.04518%0.184CC..PPolyproline II helixtrans-59.1140171.8-20.230.6000111.9P147 P149 F447 W457 W458P147-P379 HydrophobicContact CG-CB 4.23Å; P147-P379 HydrophobicContact CG-CG 4.46Å; P147-P379 WeakPolarHBondContact O-CB 3.18Å; P149-P379 VanDerWaalsContact CD-O 3.24Å; P149-P379 WeakPolarHBondContact CD-O 3.48Å; P149-P379 WeakPolarHBondContact CG-O 3.43Å; P379-F447 HydrophobicContact CG-CE1 4.16Å; P379-W457 HydrophobicContact CG-CE3 4.44Å; P379-W458 HydrophobicContact CG-CZ2 3.96Å
380P95.9Very high94.9Very high34 Ų3437.5 Ų37.522%0.22117%0.172CC..PPolyproline II helixtrans-88.8165-174.636.1-36.7000113.4I146 N207 Y370 V382I146-P380 HydrophobicContact CG2-CG 4.06Å; N207-P380 PolarHBondContact ND2-O 2.78Å; Y370-P380 HydrophobicContact CD1-CG 4.42Å; Y370-P380 WeakPolarHBondContact O-CD 3.26Å; Y370-P380 WeakPolarHBondContact O-CG 3.48Å; P380-V382 HydrophobicContact CB-CG1 3.84Å; P380-V382 HydrophobicContact CG-CG1 3.94Å
381I95.6Very high94.8Very high109 Ų10936.2 Ų36.256%0.55917%0.167SC*.  trans-108115.7162.8-58174.5000106.9T148 P149 Y521T148-I381 HydrophobicContact CG2-CG1 4.46Å; P149-I381 HydrophobicContact CG-CG1 4.37Å; I381-Y521 PolarHBondContact O-OH 3.43Å
382V95Very high94.8Very high2 Ų237 Ų371%0.01217%0.171CC..  trans-127.6-11-174.2-55.10000113N207 Y370 P380 H385 P387 V517N207-V382 HydrophobicContact CB-CG2 3.62Å; N207-V382 WeakPolarHBondContact OD1-CG2 3.45Å; N207-V382 PolarHBondContact OD1-N 3.22Å; Y370-V382 HydrophobicContact CD1-CB 4.49Å; Y370-V382 HydrophobicContact CD1-CG1 3.39Å; Y370-V382 HydrophobicContact CE1-CG1 3.78Å; Y370-V382 HydrophobicContact CG-CG1 4.13Å; P380-V382 HydrophobicContact CB-CG1 3.84Å; P380-V382 HydrophobicContact CG-CG1 3.94Å; V382-H385 WeakPolarHBondContact O-CA 3.24Å; V382-H385 WeakPolarHBondContact O-CB 3.47Å; V382-H385 PolarHBondContact O-N 2.88Å; V382-P387 HydrophobicContact CG2-CG 3.99Å; V382-V517 HydrophobicContact CB-CG2 3.74Å; V382-V517 HydrophobicContact CG1-CG2 3.81Å
383E91.7Very high94.8Very high24 Ų2436.6 Ų36.611%0.11217%0.168CC..THydrogen-bonded Turntrans-56.9130.4179.3-156.7-179161.300112.1A203 N207 N209 F213 Y521A203-E383 WeakPolarHBondContact CA-OE2 3.36Å; A203-E383 WeakPolarHBondContact CB-OE2 3.37Å; N207-E383 PolarHBondContact OD1-N 3.31Å; N209-E383 WeakPolarHBondContact O-CG 3.44Å; F213-E383 HydrophobicContact CD2-CG 4.4Å; F213-E383 WeakPolarHBondContact CD2-OE1 3.46Å; F213-E383 HydrophobicContact CE2-CG 3.89Å; F213-E383 WeakPolarHBondContact CE2-OE1 3.45Å; E383-Y521 VanDerWaalsContact O-CE1 3.23Å; E383-Y521 WeakPolarHBondContact O-CE1 3.41Å; E383-Y521 PolarHBondContact O-OH 3.3Å
384P91.4Very high94.9Very high29 Ų2936.6 Ų36.619%0.18817%0.166CC..THydrogen-bonded Turncis-101.225.211.139-34.1000114.7N209 F213 V520N209-P384 WeakPolarHBondContact O-CA 3.44Å; N209-P384 PolarHBondContact OD1-O 3Å; F213-P384 HydrophobicContact CD2-CB 4.3Å; F213-P384 HydrophobicContact CE2-CB 4.26Å; P384-V520 HydrophobicContact CG-CG1 3.75Å
385H94.3Very high94.8Very high32 Ų3239.8 Ų39.815%0.14818%0.179CC..  trans-68.3146.7170.3176.563.4000110.7Y370 V382 P387 G516 V517 V520Y370-H385 AromaticContact CE2-CD2 3.93Å; Y370-H385 AromaticContact CE2-NE2 3.63Å; Y370-H385 AromaticContact CZ-CD2 3.99Å; Y370-H385 AromaticContact CZ-NE2 3.97Å; V382-H385 WeakPolarHBondContact O-CA 3.24Å; V382-H385 WeakPolarHBondContact O-CB 3.47Å; V382-H385 PolarHBondContact O-N 2.88Å; H385-P387 VanDerWaalsContact O-CD 3.28Å; H385-P387 WeakPolarHBondContact O-CD 3.09Å; H385-G516 PolarHBondContact ND1-O 2.81Å; H385-V517 HydrophobicContact CB-CG2 3.96Å; H385-V520 HydrophobicContact CB-CB 4.26Å; H385-V520 HydrophobicContact CB-CG2 4.12Å
386Q92.1Very high94.8Very high18 Ų1838.7 Ų38.78%0.08417%0.172CC..  trans-11199176.7-174.140.46.600112.8N209 R388N209-Q386 HydrophobicContact CB-CB 3.93Å; N209-Q386 HydrophobicContact CB-CG 4.16Å; N209-Q386 WeakPolarHBondContact OD1-CB 3.42Å; Q386-R388 VanDerWaalsContact C-N 3.27Å; Q386-R388 HydrophobicContact CB-CG 4.48Å; Q386-R388 HydrophobicContact CG-CG 3.68Å; Q386-R388 PolarHBondContact O-N 3.12Å
387P94.5Very high94.8Very high5 Ų531.4 Ų31.43%0.03214%0.144CC..  trans-67.874.9169.7-26.439.1000113.3I146 Y370 V382 H385 L389 D390 W391I146-P387 HydrophobicContact CD1-CB 3.63Å; I146-P387 HydrophobicContact CD1-CG 3.63Å; Y370-P387 HydrophobicContact CD2-CB 3.57Å; Y370-P387 HydrophobicContact CD2-CG 3.48Å; Y370-P387 VanDerWaalsContact CD2-CG 3.48Å; Y370-P387 HydrophobicContact CE2-CB 4.33Å; Y370-P387 HydrophobicContact CE2-CG 4.09Å; Y370-P387 HydrophobicContact CG-CB 4.17Å; Y370-P387 HydrophobicContact CG-CG 3.77Å; V382-P387 HydrophobicContact CG2-CG 3.99Å; H385-P387 VanDerWaalsContact O-CD 3.28Å; H385-P387 WeakPolarHBondContact O-CD 3.09Å; P387-L389 VanDerWaalsContact C-N 3.3Å; P387-L389 PolarHBondContact O-N 3.39Å; P387-D390 HydrophobicContact CB-CB 3.7Å; P387-D390 PolarHBondContact O-N 3.21Å; P387-W391 PolarHBondContact O-N 3.27Å
388R94.9Very high94.7Very high59 Ų5931.6 Ų31.622%0.22315%0.15CC..Hα-helixtrans-57.5-40-173.1-66.5-178.8177.2-72.9-4.9113.1F65 L66 F68 D71 Q386 Q392F65-R388 HydrophobicContact CD1-CB 4.24Å; F65-R388 VanDerWaalsContact O-CD 3.23Å; F65-R388 WeakPolarHBondContact O-CD 3.42Å; F65-R388 PolarHBondContact O-NH1 3.2Å; L66-R388 VanDerWaalsContact CD2-NH2 3.32Å; F68-R388 HydrophobicContact CE2-CB 4.4Å; F68-R388 HydrophobicContact CE2-CG 4.28Å; D71-R388 IonicContact OD1-CZ 3.31Å; D71-R388 IonicContact OD1-NH1 3.28Å; D71-R388 PolarHBondContact OD1-NH1 3.38Å; D71-R388 IonicContact OD1-NH2 2.87Å; D71-R388 PolarHBondContact OD1-NH2 3.2Å; D71-R388 IonicContact OD2-CZ 2.83Å; D71-R388 IonicContact OD2-NH1 2.66Å; D71-R388 PolarHBondContact OD2-NH1 3.31Å; D71-R388 IonicContact OD2-NH2 3.65Å; Q386-R388 VanDerWaalsContact C-N 3.27Å; Q386-R388 HydrophobicContact CB-CG 4.48Å; Q386-R388 HydrophobicContact CG-CG 3.68Å; Q386-R388 PolarHBondContact O-N 3.12Å; R388-Q392 WeakPolarHBondContact O-CB 3.22Å; R388-Q392 WeakPolarHBondContact O-CG 3.24Å; R388-Q392 PolarHBondContact O-N 3.21Å
389L95.9Very high94.5Very high14 Ų1426.5 Ų26.57%0.07314%0.135CC..Hα-helixtrans-68.4-47.3177.7178.959.5000111.8F65 F368 P387 W391 Q392 M393 W407 M411 L425 I426F65-L389 HydrophobicContact CE1-CD1 4.12Å; F368-L389 HydrophobicContact CD1-CD2 4.24Å; F368-L389 HydrophobicContact CD1-CG 4.36Å; F368-L389 HydrophobicContact CE1-CD2 4.03Å; F368-L389 HydrophobicContact CE1-CG 4.13Å; P387-L389 VanDerWaalsContact C-N 3.3Å; P387-L389 PolarHBondContact O-N 3.39Å; L389-W391 VanDerWaalsContact C-N 3.26Å; L389-W391 PolarHBondContact O-N 3.31Å; L389-Q392 PolarHBondContact O-N 2.98Å; L389-Q392 VanDerWaalsContact O-N 3.15Å; L389-M393 HydrophobicContact CD1-CG 4.3Å; L389-M393 WeakPolarHBondContact O-CG 3.34Å; L389-M393 PolarHBondContact O-N 2.86Å; L389-W407 HydrophobicContact CD1-CZ3 4Å; L389-M411 HydrophobicContact CD1-SD 3.73Å; L389-M411 HydrophobicContact CD2-SD 4.07Å; L389-M411 HydrophobicContact CG-SD 4.46Å; L389-L425 HydrophobicContact CD2-CB 3.69Å; L389-L425 HydrophobicContact CD2-CD1 4.48Å; L389-I426 HydrophobicContact CD2-CG2 4.04Å
390D96.6Very high94Very high4 Ų432.7 Ų32.72%0.02117%0.167CC..Hα-helixtrans-59.4-39178.1-58.1-116.1000111.6I146 Y370 K371 P387 M393 W394I146-D390 HydrophobicContact CD1-CB 3.99Å; Y370-D390 WeakPolarHBondContact CA-OD1 3.43Å; Y370-D390 WeakPolarHBondContact CB-OD1 3.34Å; Y370-D390 PolarHBondContact N-OD1 3.38Å; K371-D390 HydrophobicContact CB-CB 3.97Å; K371-D390 HydrophobicContact CD-CB 4.35Å; K371-D390 HydrophobicContact CG-CB 4.07Å; K371-D390 WeakPolarHBondContact CG-OD1 3.18Å; K371-D390 PolarHBondContact N-OD1 3.21Å; P387-D390 HydrophobicContact CB-CB 3.7Å; P387-D390 PolarHBondContact O-N 3.21Å; D390-M393 PolarHBondContact O-N 2.99Å; D390-W394 PolarHBondContact O-N 2.84Å; D390-W394 VanDerWaalsContact O-N 3.12Å
391W95.2Very high93.7Very high1 Ų132.8 Ų32.80%0.00417%0.169CC..Hα-helixtrans-65.4-45.8171.8-87.789.7000113.1F68 W70 C145 N207 Y208 F339 P387 L389 M393 W394 F395F68-W391 HydrophobicContact CE1-CB 3.96Å; F68-W391 HydrophobicContact CZ-CB 3.81Å; W70-W391 AromaticContact CH2-CD2 3.64Å; W70-W391 HydrophobicContact CH2-CD2 3.64Å; W70-W391 AromaticContact CH2-CE2 3.8Å; W70-W391 AromaticContact CH2-CE3 3.49Å; W70-W391 HydrophobicContact CH2-CE3 3.49Å; W70-W391 VanDerWaalsContact CH2-CE3 3.49Å; W70-W391 HydrophobicContact CH2-CG 4.42Å; W70-W391 AromaticContact CH2-CH2 3.62Å; W70-W391 HydrophobicContact CH2-CH2 3.62Å; W70-W391 AromaticContact CH2-CZ2 3.8Å; W70-W391 HydrophobicContact CH2-CZ2 3.8Å; W70-W391 AromaticContact CH2-CZ3 3.47Å; W70-W391 HydrophobicContact CH2-CZ3 3.47Å; W70-W391 VanDerWaalsContact CH2-CZ3 3.47Å; W70-W391 HydrophobicContact CZ2-CD2 4.22Å; W70-W391 HydrophobicContact CZ2-CE3 4.39Å; W70-W391 HydrophobicContact CZ3-CE3 4.28Å; W70-W391 AromaticContact CZ3-CH2 3.62Å; W70-W391 HydrophobicContact CZ3-CH2 3.62Å; W70-W391 AromaticContact CZ3-CZ2 3.98Å; W70-W391 HydrophobicContact CZ3-CZ2 3.98Å; W70-W391 AromaticContact CZ3-CZ3 3.79Å; W70-W391 HydrophobicContact CZ3-CZ3 3.79Å; C145-W391 HydrophobicContact CB-CD2 3.7Å; C145-W391 HydrophobicContact CB-CE3 3.55Å; C145-W391 HydrophobicContact CB-CG 4.49Å; C145-W391 HydrophobicContact CB-CH2 3.78Å; C145-W391 HydrophobicContact CB-CZ2 3.87Å; C145-W391 HydrophobicContact CB-CZ3 3.61Å; C145-W391 VanDerWaalsContact SG-CA 3.51Å; C145-W391 VanDerWaalsContact SG-CG 3.56Å; N207-W391 WeakPolarHBondContact O-CZ2 3.4Å; Y208-W391 AromaticContact CD1-CH2 3.75Å; Y208-W391 HydrophobicContact CD1-CH2 3.75Å; Y208-W391 AromaticContact CD1-CZ2 3.98Å; Y208-W391 HydrophobicContact CD1-CZ2 3.98Å; Y208-W391 AromaticContact CE1-CH2 3.98Å; Y208-W391 HydrophobicContact CE1-CH2 3.98Å; Y208-W391 HydrophobicContact CE1-CZ2 4.46Å; F339-W391 HydrophobicContact CZ-CH2 4.47Å; P387-W391 PolarHBondContact O-N 3.27Å; L389-W391 VanDerWaalsContact C-N 3.26Å; L389-W391 PolarHBondContact O-N 3.31Å; W391-M393 VanDerWaalsContact C-N 3.27Å; W391-M393 PolarHBondContact O-N 2.57Å; W391-W394 WeakPolarHBondContact O-CB 3.45Å; W391-W394 PolarHBondContact O-N 3.4Å; W391-W394 VanDerWaalsContact O-N 3.11Å; W391-F395 AromaticContact CE3-CE2 3.93Å; W391-F395 HydrophobicContact CE3-CE2 3.93Å; W391-F395 HydrophobicContact CZ3-CE2 4.48Å; W391-F395 VanDerWaalsContact O-CD2 3.23Å; W391-F395 WeakPolarHBondContact O-CD2 3.49Å; W391-F395 PolarHBondContact O-N 3.12Å; W391-F395 VanDerWaalsContact O-N 3.13Å
392Q95.4Very high93.5Very high21 Ų2129 Ų2910%0.09815%0.149CC..Hα-helixtrans-61.2-37175.2-79.8-55.3-42.400112.3D64 F65 F68 R388 L389 W394 F395 A396 W407D64-Q392 PolarHBondContact O-NE2 3.11Å; F65-Q392 HydrophobicContact CD1-CB 4.42Å; F65-Q392 HydrophobicContact CD1-CG 3.64Å; F65-Q392 HydrophobicContact CE1-CB 4.05Å; F65-Q392 HydrophobicContact CE1-CG 3.71Å; F65-Q392 HydrophobicContact CG-CG 4.44Å; F68-Q392 HydrophobicContact CZ-CG 4.01Å; R388-Q392 WeakPolarHBondContact O-CB 3.22Å; R388-Q392 WeakPolarHBondContact O-CG 3.24Å; R388-Q392 PolarHBondContact O-N 3.21Å; L389-Q392 PolarHBondContact O-N 2.98Å; L389-Q392 VanDerWaalsContact O-N 3.15Å; Q392-W394 VanDerWaalsContact C-N 3.32Å; Q392-W394 PolarHBondContact O-N 2.8Å; Q392-F395 PolarHBondContact O-N 3.41Å; Q392-A396 WeakPolarHBondContact O-CB 3.33Å; Q392-A396 PolarHBondContact O-N 3.42Å; Q392-W407 HydrophobicContact CB-CH2 3.84Å; Q392-W407 HydrophobicContact CB-CZ2 3.85Å; Q392-W407 HydrophobicContact CB-CZ3 4.4Å
393M96.8Very high93.4Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-65.3-34.1174.2-73.9-63.5-55.800113I351 F368 K371 L389 D390 W391 A396 S397 W407 F408 M411I351-M393 HydrophobicContact CB-CE 3.74Å; I351-M393 HydrophobicContact CD1-CE 4.48Å; I351-M393 HydrophobicContact CG2-CE 3.85Å; F368-M393 HydrophobicContact CD1-CG 4.28Å; F368-M393 HydrophobicContact CE1-CE 4.44Å; F368-M393 HydrophobicContact CE1-CG 3.58Å; F368-M393 HydrophobicContact CE1-SD 4.12Å; F368-M393 HydrophobicContact CE2-CE 4.07Å; F368-M393 HydrophobicContact CZ-CE 3.65Å; F368-M393 HydrophobicContact CZ-CG 3.76Å; F368-M393 HydrophobicContact CZ-SD 3.82Å; K371-M393 HydrophobicContact CD-CB 3.76Å; K371-M393 HydrophobicContact CD-CG 4.36Å; L389-M393 HydrophobicContact CD1-CG 4.3Å; L389-M393 WeakPolarHBondContact O-CG 3.34Å; L389-M393 PolarHBondContact O-N 2.86Å; D390-M393 PolarHBondContact O-N 2.99Å; W391-M393 VanDerWaalsContact C-N 3.27Å; W391-M393 PolarHBondContact O-N 2.57Å; M393-A396 WeakPolarHBondContact O-CB 3.28Å; M393-A396 PolarHBondContact O-N 3.14Å; M393-S397 PolarHBondContact O-N 2.98Å; M393-S397 VanDerWaalsContact O-N 3.09Å; M393-W407 HydrophobicContact CG-CH2 4.4Å; M393-W407 HydrophobicContact SD-CH2 3.84Å; M393-W407 HydrophobicContact SD-CZ3 4.04Å; M393-F408 HydrophobicContact CE-CE2 4.02Å; M393-F408 HydrophobicContact SD-CD2 3.98Å; M393-F408 HydrophobicContact SD-CE2 4.02Å; M393-M411 HydrophobicContact SD-CE 3.83Å
394W95.6Very high93.3Very high7 Ų740.5 Ų40.53%0.02720%0.196CC..Hα-helixtrans-64.7-47172.7179.983.9000111.3S143 C145 F339 T343 D390 W391 Q392 A396 S397 L398S143-W394 PolarHBondContact O-NE1 2.86Å; C145-W394 HydrophobicContact CB-CB 4.14Å; C145-W394 HydrophobicContact CB-CD2 4Å; C145-W394 HydrophobicContact CB-CG 3.82Å; C145-W394 WeakPolarHBondContact SG-CB 3.35Å; F339-W394 HydrophobicContact CD1-CH2 4.19Å; F339-W394 AromaticContact CE1-CH2 3.64Å; F339-W394 HydrophobicContact CE1-CH2 3.64Å; F339-W394 AromaticContact CE1-CZ2 3.88Å; F339-W394 HydrophobicContact CE1-CZ2 3.88Å; F339-W394 HydrophobicContact CE1-CZ3 4.47Å; T343-W394 HydrophobicContact CG2-CH2 4.15Å; T343-W394 HydrophobicContact CG2-CZ2 4.14Å; T343-W394 WeakPolarHBondContact OG1-CZ2 3.48Å; D390-W394 PolarHBondContact O-N 2.84Å; D390-W394 VanDerWaalsContact O-N 3.12Å; W391-W394 WeakPolarHBondContact O-CB 3.45Å; W391-W394 PolarHBondContact O-N 3.4Å; W391-W394 VanDerWaalsContact O-N 3.11Å; Q392-W394 VanDerWaalsContact C-N 3.32Å; Q392-W394 PolarHBondContact O-N 2.8Å; W394-A396 VanDerWaalsContact C-N 3.31Å; W394-A396 PolarHBondContact O-N 3.04Å; W394-S397 WeakPolarHBondContact O-CB 3.48Å; W394-S397 PolarHBondContact O-N 3.21Å; W394-S397 PolarHBondContact O-OG 3.27Å; W394-L398 HydrophobicContact CE3-CD1 4.13Å; W394-L398 HydrophobicContact CH2-CD1 3.71Å; W394-L398 HydrophobicContact CZ2-CD1 4.13Å; W394-L398 HydrophobicContact CZ3-CD1 3.71Å
395F93.7Very high93.4Very high75 Ų7539.7 Ų39.733%0.32919%0.19SC..Hα-helixtrans-60.2-41.6173.4-74.6-73.7000111.9F68 W391 Q392 S397 L398F68-F395 AromaticContact CD1-CE2 3.82Å; F68-F395 HydrophobicContact CD1-CE2 3.82Å; F68-F395 AromaticContact CE1-CD2 3.94Å; F68-F395 HydrophobicContact CE1-CD2 3.94Å; F68-F395 AromaticContact CE1-CE2 3.56Å; F68-F395 HydrophobicContact CE1-CE2 3.56Å; W391-F395 AromaticContact CE3-CE2 3.93Å; W391-F395 HydrophobicContact CE3-CE2 3.93Å; W391-F395 HydrophobicContact CZ3-CE2 4.48Å; W391-F395 VanDerWaalsContact O-CD2 3.23Å; W391-F395 WeakPolarHBondContact O-CD2 3.49Å; W391-F395 PolarHBondContact O-N 3.12Å; W391-F395 VanDerWaalsContact O-N 3.13Å; Q392-F395 PolarHBondContact O-N 3.41Å; F395-S397 PolarHBondContact O-N 3.02Å; F395-L398 WeakPolarHBondContact O-CB 3.18Å; F395-L398 PolarHBondContact O-N 2.71Å
396A95.3Very high93.4Very high1 Ų139.7 Ų39.71%0.00819%0.193CC..Hα-helixtrans-56.3-38.6176.900000112.5I351 Q392 M393 W394 L398 T399 M405 W407I351-A396 HydrophobicContact CD1-CB 3.77Å; Q392-A396 WeakPolarHBondContact O-CB 3.33Å; Q392-A396 PolarHBondContact O-N 3.42Å; M393-A396 WeakPolarHBondContact O-CB 3.28Å; M393-A396 PolarHBondContact O-N 3.14Å; W394-A396 VanDerWaalsContact C-N 3.31Å; W394-A396 PolarHBondContact O-N 3.04Å; A396-L398 PolarHBondContact O-N 3.04Å; A396-T399 PolarHBondContact O-N 2.93Å; A396-T399 VanDerWaalsContact O-N 3.07Å; A396-T399 PolarHBondContact O-OG1 3.39Å; A396-M405 WeakPolarHBondContact CA-SD 3.26Å; A396-M405 HydrophobicContact CB-CE 3.81Å; A396-M405 HydrophobicContact CB-SD 3.32Å; A396-M405 WeakPolarHBondContact CB-SD 3.37Å; A396-W407 HydrophobicContact CB-CH2 4.09Å; A396-W407 HydrophobicContact CB-CZ2 3.98Å
397S94.8Very high93.6Very high5 Ų540 Ų404%0.03519%0.194CC..Hα-helixtrans-65.7-17.9179800000114.3P349 M393 W394 F395P349-S397 PolarHBondContact O-OG 2.66Å; M393-S397 PolarHBondContact O-N 2.98Å; M393-S397 VanDerWaalsContact O-N 3.09Å; W394-S397 WeakPolarHBondContact O-CB 3.48Å; W394-S397 PolarHBondContact O-N 3.21Å; W394-S397 PolarHBondContact O-OG 3.27Å; F395-S397 PolarHBondContact O-N 3.02Å
398L92.1Very high93.7Very high72 Ų7239.8 Ų39.838%0.37719%0.192SC..Hα-helixtrans-89.9-13.4176.6-55175.4000112.6T343 P349 W394 F395 A396T343-L398 HydrophobicContact CG2-CD1 3.87Å; T343-L398 HydrophobicContact CG2-CD2 3.88Å; P349-L398 HydrophobicContact CG-CD2 3.68Å; W394-L398 HydrophobicContact CE3-CD1 4.13Å; W394-L398 HydrophobicContact CH2-CD1 3.71Å; W394-L398 HydrophobicContact CZ2-CD1 4.13Å; W394-L398 HydrophobicContact CZ3-CD1 3.71Å; F395-L398 WeakPolarHBondContact O-CB 3.18Å; F395-L398 PolarHBondContact O-N 2.71Å; A396-L398 PolarHBondContact O-N 3.04Å
399T90.4Very high93.7Very high38 Ų3837.3 Ų37.323%0.23318%0.183CC..SBendtrans-80.6153.1177.769.80000111.4A396 M405A396-T399 PolarHBondContact O-N 2.93Å; A396-T399 VanDerWaalsContact O-N 3.07Å; A396-T399 PolarHBondContact O-OG1 3.39Å; T399-M405 HydrophobicContact CG2-SD 4.02Å; T399-M405 WeakPolarHBondContact OG1-CE 3.47Å
400N85.8Confident93.7Very high136 Ų13637.1 Ų37.173%0.72718%0.183SC*.SBendtrans-81.9-29.5179.6-75.7-41.5000112.9
401S90.6Very high93.6Very high37 Ų3737.5 Ų37.526%0.25919%0.185SC..  trans-135.1127.8-170.5-178.80000112R403 E404S401-R403 PolarHBondContact O-N 2.92Å; S401-R403 PolarHBondContact OG-N 2.88Å; S401-E404 PolarHBondContact O-N 2.98Å
402F92.2Very high93.7Very high30 Ų3037.5 Ų37.513%0.13219%0.185CC..G310 helixtrans-63.1-20.7172.368.4-90.1000113.5E404 M405 F408 L409 F466 M467F402-E404 PolarHBondContact O-N 3.25Å; F402-M405 HydrophobicContact CB-CE 4.49Å; F402-M405 PolarHBondContact O-N 3.31Å; F402-F408 HydrophobicContact CB-CD1 4.02Å; F402-F408 HydrophobicContact CB-CE1 4Å; F402-L409 HydrophobicContact CD2-CD1 4.08Å; F402-L409 HydrophobicContact CD2-CD2 3.59Å; F402-L409 HydrophobicContact CD2-CG 4.05Å; F402-L409 HydrophobicContact CE2-CD1 4.29Å; F402-L409 HydrophobicContact CE2-CD2 3.89Å; F402-F466 HydrophobicContact CB-CD1 4.03Å; F402-F466 HydrophobicContact CB-CE1 3.49Å; F402-F466 VanDerWaalsContact CB-CE1 3.49Å; F402-F466 HydrophobicContact CB-CZ 4.11Å; F402-F466 WeakPolarHBondContact CD1-O 3.3Å; F402-M467 HydrophobicContact CD1-CB 3.98Å; F402-M467 HydrophobicContact CD1-CG 4.25Å; F402-M467 HydrophobicContact CD2-CB 4.48Å; F402-M467 HydrophobicContact CD2-CG 4.03Å; F402-M467 HydrophobicContact CD2-SD 4.43Å; F402-M467 HydrophobicContact CE1-CB 4.23Å; F402-M467 HydrophobicContact CE1-CG 4.2Å; F402-M467 HydrophobicContact CE2-CG 3.99Å; F402-M467 HydrophobicContact CG-CB 4.08Å; F402-M467 HydrophobicContact CG-CG 4.14Å; F402-M467 HydrophobicContact CZ-CG 4.06Å
403R91.4Very high93.7Very high132 Ų13237 Ų3750%0.49818%0.183SC..G310 helixtrans-73.6-13.8178.5-63.5-176.9178.4-106.93.1112.7S401 M405 Y480S401-R403 PolarHBondContact O-N 2.92Å; S401-R403 PolarHBondContact OG-N 2.88Å; R403-M405 PolarHBondContact O-N 3.47Å; R403-Y480 PolarHBondContact O-OH 3.28Å
404E90.7Very high93.6Very high134 Ų13441 Ų4163%0.62620%0.2SC*.G310 helixtrans-80-3.8173.3-67.6164.7-157.600112S401 F402 P406S401-E404 PolarHBondContact O-N 2.98Å; F402-E404 PolarHBondContact O-N 3.25Å; E404-P406 WeakPolarHBondContact O-CD 3.36Å
405M94Very high93.7Very high12 Ų1240.6 Ų40.66%0.05920%0.199CC..  trans-124.382.2-173.6-62.2179-70.800111.3A396 T399 F402 R403 W407 F408 L409 F466A396-M405 WeakPolarHBondContact CA-SD 3.26Å; A396-M405 HydrophobicContact CB-CE 3.81Å; A396-M405 HydrophobicContact CB-SD 3.32Å; A396-M405 WeakPolarHBondContact CB-SD 3.37Å; T399-M405 HydrophobicContact CG2-SD 4.02Å; T399-M405 WeakPolarHBondContact OG1-CE 3.47Å; F402-M405 HydrophobicContact CB-CE 4.49Å; F402-M405 PolarHBondContact O-N 3.31Å; R403-M405 PolarHBondContact O-N 3.47Å; M405-W407 PolarHBondContact O-N 3.23Å; M405-W407 HydrophobicContact SD-CZ2 4.05Å; M405-F408 HydrophobicContact CB-CB 3.77Å; M405-F408 WeakPolarHBondContact O-CB 3.24Å; M405-F408 PolarHBondContact O-N 3.45Å; M405-L409 PolarHBondContact O-N 2.87Å; M405-F466 HydrophobicContact CE-CE1 3.97Å; M405-F466 HydrophobicContact CE-CZ 3.74Å
406P94.3Very high93.8Very high33 Ų3337.3 Ų37.321%0.21418%0.184CC..Hα-helixtrans-54.6-37.4179.2-23.631000113.6E404 F408 L409 S410 Y480 N484 L486E404-P406 WeakPolarHBondContact O-CD 3.36Å; P406-F408 VanDerWaalsContact C-N 3.28Å; P406-F408 PolarHBondContact O-N 3.45Å; P406-L409 PolarHBondContact O-N 3.21Å; P406-S410 PolarHBondContact O-N 2.96Å; P406-Y480 HydrophobicContact CB-CE1 4.25Å; P406-N484 HydrophobicContact CB-CB 4.21Å; P406-N484 WeakPolarHBondContact CG-OD1 3.43Å; P406-L486 HydrophobicContact CB-CD1 3.51Å; P406-L486 VanDerWaalsContact O-CD1 3.29Å; P406-L486 WeakPolarHBondContact O-CD1 3.22Å
407W94.7Very high93.8Very high24 Ų2442.7 Ų42.79%0.09121%0.208CC..Hα-helixtrans-61.1-34.9176.968.7-100.1000112.8D64 F65 L389 Q392 M393 A396 M405 S410 M411D64-W407 VanDerWaalsContact OD2-CD1 3.26Å; F65-W407 HydrophobicContact CE2-CB 4.22Å; F65-W407 HydrophobicContact CZ-CB 4.39Å; F65-W407 HydrophobicContact CZ-CD2 4.22Å; F65-W407 AromaticContact CZ-CE3 4Å; F65-W407 HydrophobicContact CZ-CE3 4Å; F65-W407 HydrophobicContact CZ-CG 4.41Å; L389-W407 HydrophobicContact CD1-CZ3 4Å; Q392-W407 HydrophobicContact CB-CH2 3.84Å; Q392-W407 HydrophobicContact CB-CZ2 3.85Å; Q392-W407 HydrophobicContact CB-CZ3 4.4Å; M393-W407 HydrophobicContact CG-CH2 4.4Å; M393-W407 HydrophobicContact SD-CH2 3.84Å; M393-W407 HydrophobicContact SD-CZ3 4.04Å; A396-W407 HydrophobicContact CB-CH2 4.09Å; A396-W407 HydrophobicContact CB-CZ2 3.98Å; M405-W407 PolarHBondContact O-N 3.23Å; M405-W407 HydrophobicContact SD-CZ2 4.05Å; W407-S410 PolarHBondContact O-N 3.27Å; W407-M411 HydrophobicContact CZ3-CE 4.27Å; W407-M411 WeakPolarHBondContact O-CB 3.28Å; W407-M411 PolarHBondContact O-N 3.22Å
408F96.5Very high93.8Very high0 Ų044.5 Ų44.50%022%0.215CC..Hα-helixtrans-69.5-43.2-179.4176.7-93.9000111I351 L353 M393 F402 M405 P406 M411 T412 A440 F466 M467I351-F408 HydrophobicContact CG2-CE2 4.24Å; I351-F408 HydrophobicContact CG2-CZ 4.29Å; L353-F408 HydrophobicContact CD2-CE2 4.12Å; L353-F408 HydrophobicContact CD2-CZ 3.8Å; M393-F408 HydrophobicContact CE-CE2 4.02Å; M393-F408 HydrophobicContact SD-CD2 3.98Å; M393-F408 HydrophobicContact SD-CE2 4.02Å; F402-F408 HydrophobicContact CB-CD1 4.02Å; F402-F408 HydrophobicContact CB-CE1 4Å; M405-F408 HydrophobicContact CB-CB 3.77Å; M405-F408 WeakPolarHBondContact O-CB 3.24Å; M405-F408 PolarHBondContact O-N 3.45Å; P406-F408 VanDerWaalsContact C-N 3.28Å; P406-F408 PolarHBondContact O-N 3.45Å; F408-M411 HydrophobicContact CD2-CE 3.83Å; F408-M411 HydrophobicContact CE2-CE 4.06Å; F408-M411 PolarHBondContact O-N 2.91Å; F408-T412 PolarHBondContact O-N 3.49Å; F408-T412 PolarHBondContact O-OG1 3.43Å; F408-A440 HydrophobicContact CZ-CB 3.96Å; F408-F466 HydrophobicContact CE1-CE1 4.35Å; F408-F466 HydrophobicContact CZ-CD1 4.36Å; F408-F466 HydrophobicContact CZ-CE1 4.34Å; F408-M467 HydrophobicContact CE1-CB 4.5Å; F408-M467 HydrophobicContact CE1-SD 3.83Å
409L95.8Very high93.9Very high8 Ų842.9 Ų42.94%0.04221%0.21CC..Hα-helixtrans-67.7-39.1174.5-72.9179.2000111.9F402 M405 P406 M411 T412 H413 M467 L477 Y480 L481F402-L409 HydrophobicContact CD2-CD1 4.08Å; F402-L409 HydrophobicContact CD2-CD2 3.59Å; F402-L409 HydrophobicContact CD2-CG 4.05Å; F402-L409 HydrophobicContact CE2-CD1 4.29Å; F402-L409 HydrophobicContact CE2-CD2 3.89Å; M405-L409 PolarHBondContact O-N 2.87Å; P406-L409 PolarHBondContact O-N 3.21Å; L409-M411 VanDerWaalsContact C-N 3.34Å; L409-M411 PolarHBondContact O-N 2.87Å; L409-T412 PolarHBondContact O-N 3.44Å; L409-H413 WeakPolarHBondContact O-CB 3.4Å; L409-H413 PolarHBondContact O-N 3.34Å; L409-M467 HydrophobicContact CD2-SD 3.85Å; L409-L477 HydrophobicContact CB-CD1 3.99Å; L409-L477 HydrophobicContact CD2-CD1 4Å; L409-L477 HydrophobicContact CG-CD1 4.42Å; L409-Y480 HydrophobicContact CD1-CD1 3.53Å; L409-Y480 HydrophobicContact CD1-CE1 3.55Å; L409-Y480 HydrophobicContact CD1-CG 4.15Å; L409-L481 HydrophobicContact CB-CD2 4.14Å
410S95.2Very high94Very high10 Ų1049.5 Ų49.57%0.0724%0.236CC..Hα-helixtrans-62.2-42.6172.4163.10000111.3P406 W407 H413 K414P406-S410 PolarHBondContact O-N 2.96Å; W407-S410 PolarHBondContact O-N 3.27Å; S410-H413 PolarHBondContact O-N 3.37Å; S410-K414 WeakPolarHBondContact O-CB 3.34Å; S410-K414 VanDerWaalsContact O-CG 3.27Å; S410-K414 WeakPolarHBondContact O-CG 3.26Å; S410-K414 PolarHBondContact O-N 2.9Å; S410-K414 WeakPolarHBondContact OG-CE 3.46Å; S410-K414 PolarHBondContact OG-NZ 3.03Å
411M95.8Very high94.2Very high12 Ų1247.3 Ų47.36%0.05923%0.229CC..Hα-helixtrans-60.5-48.1176.1179.2-173.762.900110.4L353 F368 L389 M393 W407 F408 L409 H413 K414 L415 V422L353-M411 HydrophobicContact CD1-CE 3.79Å; F368-M411 HydrophobicContact CE1-SD 4.49Å; L389-M411 HydrophobicContact CD1-SD 3.73Å; L389-M411 HydrophobicContact CD2-SD 4.07Å; L389-M411 HydrophobicContact CG-SD 4.46Å; M393-M411 HydrophobicContact SD-CE 3.83Å; W407-M411 HydrophobicContact CZ3-CE 4.27Å; W407-M411 WeakPolarHBondContact O-CB 3.28Å; W407-M411 PolarHBondContact O-N 3.22Å; F408-M411 HydrophobicContact CD2-CE 3.83Å; F408-M411 HydrophobicContact CE2-CE 4.06Å; F408-M411 PolarHBondContact O-N 2.91Å; L409-M411 VanDerWaalsContact C-N 3.34Å; L409-M411 PolarHBondContact O-N 2.87Å; M411-H413 PolarHBondContact O-N 2.85Å; M411-K414 CarbonylContact O-C 3.52Å; M411-K414 PolarHBondContact O-N 3.41Å; M411-K414 VanDerWaalsContact O-N 3.12Å; M411-L415 HydrophobicContact CG-CD1 4.12Å; M411-L415 HydrophobicContact CG-CG 4.38Å; M411-L415 WeakPolarHBondContact O-CG 3.49Å; M411-L415 PolarHBondContact O-N 2.95Å; M411-V422 HydrophobicContact CG-CG1 4.05Å
412T96.5Very high94.3Very high0 Ų046.2 Ų46.20%022%0.221CC..Hα-helixtrans-56.3-49.4177.3-62.10000111.7F408 L409 K414 L415 L416 I438 M467 T470F408-T412 PolarHBondContact O-N 3.49Å; F408-T412 PolarHBondContact O-OG1 3.43Å; L409-T412 PolarHBondContact O-N 3.44Å; T412-K414 VanDerWaalsContact C-N 3.31Å; T412-K414 PolarHBondContact O-N 2.9Å; T412-L415 WeakPolarHBondContact O-CB 3.49Å; T412-L415 PolarHBondContact O-N 3.35Å; T412-L416 HydrophobicContact CG2-CD1 4.33Å; T412-L416 PolarHBondContact O-N 3.45Å; T412-I438 HydrophobicContact CG2-CB 4.2Å; T412-I438 HydrophobicContact CG2-CG2 3.93Å; T412-M467 HydrophobicContact CG2-CE 3.66Å; T412-M467 HydrophobicContact CG2-SD 4.16Å; T412-T470 HydrophobicContact CG2-CG2 3.89Å
413H96Very high94.4Very high11 Ų1146.6 Ų46.65%0.05122%0.223CC..Hα-helixtrans-62.1-36.9176.8173.1-113.9000112.5L409 S410 M411 K417 L477 L481L409-H413 WeakPolarHBondContact O-CB 3.4Å; L409-H413 PolarHBondContact O-N 3.34Å; S410-H413 PolarHBondContact O-N 3.37Å; M411-H413 PolarHBondContact O-N 2.85Å; H413-K417 PolarHBondContact CE1-NZ 2.88Å; H413-K417 WeakPolarHBondContact NE2-CE 3.3Å; H413-K417 PolarHBondContact NE2-NZ 2.69Å; H413-K417 PolarHBondContact O-N 3.1Å; H413-L477 HydrophobicContact CB-CD2 4.16Å; H413-L481 HydrophobicContact CB-CD1 3.59Å
414K95.3Very high94.4Very high83 Ų8345.8 Ų45.836%0.36122%0.223SC..Hα-helixtrans-72-30.8175.2-73.4174.4-176.2171.40112.9S410 M411 T412 K417 Q418 S419 V422S410-K414 WeakPolarHBondContact O-CB 3.34Å; S410-K414 VanDerWaalsContact O-CG 3.27Å; S410-K414 WeakPolarHBondContact O-CG 3.26Å; S410-K414 PolarHBondContact O-N 2.9Å; S410-K414 WeakPolarHBondContact OG-CE 3.46Å; S410-K414 PolarHBondContact OG-NZ 3.03Å; M411-K414 CarbonylContact O-C 3.52Å; M411-K414 PolarHBondContact O-N 3.41Å; M411-K414 VanDerWaalsContact O-N 3.12Å; T412-K414 VanDerWaalsContact C-N 3.31Å; T412-K414 PolarHBondContact O-N 2.9Å; K414-K417 CarbonylContact O-C 3.54Å; K414-K417 PolarHBondContact O-N 3.34Å; K414-Q418 PolarHBondContact O-N 2.8Å; K414-Q418 VanDerWaalsContact O-N 3.12Å; K414-S419 WeakPolarHBondContact O-CB 3.39Å; K414-S419 PolarHBondContact O-N 2.84Å; K414-V422 HydrophobicContact CB-CB 4.16Å; K414-V422 HydrophobicContact CB-CG1 4.4Å; K414-V422 HydrophobicContact CB-CG2 3.6Å; K414-V422 HydrophobicContact CD-CG2 3.56Å; K414-V422 HydrophobicContact CG-CG2 4.17Å
415L96.3Very high94.5Very high0 Ų043.7 Ų43.70%022%0.216CC..Hα-helixtrans-69.2-40.8172.1-72.4172.6000111.8L353 M411 T412 K417 Q418 V422 M423 I426 I438L353-L415 HydrophobicContact CD1-CD1 3.79Å; M411-L415 HydrophobicContact CG-CD1 4.12Å; M411-L415 HydrophobicContact CG-CG 4.38Å; M411-L415 WeakPolarHBondContact O-CG 3.49Å; M411-L415 PolarHBondContact O-N 2.95Å; T412-L415 WeakPolarHBondContact O-CB 3.49Å; T412-L415 PolarHBondContact O-N 3.35Å; L415-K417 PolarHBondContact O-N 3.32Å; L415-K417 VanDerWaalsContact O-N 3.13Å; L415-Q418 PolarHBondContact O-N 3.34Å; L415-V422 HydrophobicContact CD2-CG1 3.74Å; L415-V422 HydrophobicContact CG-CG1 3.95Å; L415-M423 HydrophobicContact CD2-SD 3.77Å; L415-I426 HydrophobicContact CD2-CD1 3.44Å; L415-I426 VanDerWaalsContact CD2-CD1 3.44Å; L415-I426 HydrophobicContact CD2-CG1 4.29Å; L415-I438 HydrophobicContact CB-CD1 3.53Å
416L96.7Very high94.5Very high6 Ų643.5 Ų43.53%0.03122%0.215CC..Hα-helixtrans-59.3-20171.2-79.7163.6000113.1T412 P434 I438 T470 V472 L477T412-L416 HydrophobicContact CG2-CD1 4.33Å; T412-L416 PolarHBondContact O-N 3.45Å; L416-P434 VanDerWaalsContact O-CB 3.24Å; L416-P434 WeakPolarHBondContact O-CB 3.43Å; L416-I438 HydrophobicContact CD2-CB 4.19Å; L416-I438 HydrophobicContact CD2-CD1 4.16Å; L416-I438 HydrophobicContact CD2-CG1 3.75Å; L416-I438 HydrophobicContact CG-CB 4.24Å; L416-I438 HydrophobicContact CG-CD1 3.85Å; L416-I438 HydrophobicContact CG-CG1 3.92Å; L416-T470 HydrophobicContact CD1-CG2 4.18Å; L416-V472 HydrophobicContact CB-CB 4.13Å; L416-V472 HydrophobicContact CB-CG2 4.38Å; L416-L477 HydrophobicContact CD1-CD2 4.46Å
417K95.3Very high94.5Very high114 Ų11444.5 Ų44.550%0.49622%0.219SC..THydrogen-bonded Turntrans-103-0.7173.9-66.7-177.5175.5179.50113.7H413 K414 L415 S419 V472H413-K417 PolarHBondContact CE1-NZ 2.88Å; H413-K417 WeakPolarHBondContact NE2-CE 3.3Å; H413-K417 PolarHBondContact NE2-NZ 2.69Å; H413-K417 PolarHBondContact O-N 3.1Å; K414-K417 CarbonylContact O-C 3.54Å; K414-K417 PolarHBondContact O-N 3.34Å; L415-K417 PolarHBondContact O-N 3.32Å; L415-K417 VanDerWaalsContact O-N 3.13Å; K417-S419 PolarHBondContact O-N 3.1Å; K417-V472 HydrophobicContact CD-CG2 4.18Å; K417-V472 HydrophobicContact CG-CG2 3.71Å
418Q95Very high94.5Very high42 Ų4252.1 Ų52.120%0.19625%0.252CS..THydrogen-bonded Turntrans43.446.2-167.9-67.8-176.4-20.500113K414 L415 K420 M423 S429 F431 K433 P434K414-Q418 PolarHBondContact O-N 2.8Å; K414-Q418 VanDerWaalsContact O-N 3.12Å; L415-Q418 PolarHBondContact O-N 3.34Å; Q418-K420 PolarHBondContact O-N 3.18Å; Q418-K420 VanDerWaalsContact O-N 3.12Å; Q418-M423 HydrophobicContact CB-CG 4.16Å; Q418-M423 HydrophobicContact CB-SD 4.25Å; Q418-M423 HydrophobicContact CG-SD 4.27Å; Q418-S429 PolarHBondContact NE2-OG 2.85Å; Q418-F431 PolarHBondContact NE2-O 3.38Å; Q418-K433 VanDerWaalsContact NE2-C 3.32Å; Q418-K433 PolarHBondContact NE2-O 3.04Å; Q418-P434 HydrophobicContact CB-CG 4.05Å; Q418-P434 HydrophobicContact CG-CB 3.94Å; Q418-P434 HydrophobicContact CG-CG 3.85Å
419S93.8Very high94.4Very high39 Ų3953.4 Ų53.427%0.27326%0.262SS..  trans-56.7118.9179.2-173.80000110.5K414 K417 P421 V422 M423K414-S419 WeakPolarHBondContact O-CB 3.39Å; K414-S419 PolarHBondContact O-N 2.84Å; K417-S419 PolarHBondContact O-N 3.1Å; S419-P421 VanDerWaalsContact C-CD 3.48Å; S419-P421 VanDerWaalsContact C-N 3.34Å; S419-P421 WeakPolarHBondContact OG-CD 3.42Å; S419-V422 PolarHBondContact O-N 3.49Å; S419-M423 WeakPolarHBondContact O-CG 3.37Å; S419-M423 PolarHBondContact O-N 3.46Å
420K91.7Very high94.3Very high176 Ų17654.9 Ų54.977%0.76527%0.272SS*.Hα-helixtrans-48.3-45.7-174.6-66.4-176.2179.4-177.40114Q418 V422 M423 K424Q418-K420 PolarHBondContact O-N 3.18Å; Q418-K420 VanDerWaalsContact O-N 3.12Å; K420-V422 VanDerWaalsContact C-N 3.34Å; K420-V422 PolarHBondContact O-N 2.88Å; K420-M423 PolarHBondContact O-N 3.28Å; K420-K424 WeakPolarHBondContact O-CG 3.49Å; K420-K424 PolarHBondContact O-N 2.9Å
421P89.7Confident94.4Very high90 Ų9055.3 Ų55.358%0.58427%0.272SS*.Hα-helixtrans-61.7-37.7177.8-24.235.8000113.8S419S419-P421 VanDerWaalsContact C-CD 3.48Å; S419-P421 VanDerWaalsContact C-N 3.34Å; S419-P421 WeakPolarHBondContact OG-CD 3.42Å
422V93Very high94.3Very high14 Ų1464 Ų649%0.08531%0.313CS..Hα-helixtrans-75.1-38.4178.4176.10000111.1M411 K414 L415 S419 K420 K424 L425M411-V422 HydrophobicContact CG-CG1 4.05Å; K414-V422 HydrophobicContact CB-CB 4.16Å; K414-V422 HydrophobicContact CB-CG1 4.4Å; K414-V422 HydrophobicContact CB-CG2 3.6Å; K414-V422 HydrophobicContact CD-CG2 3.56Å; K414-V422 HydrophobicContact CG-CG2 4.17Å; L415-V422 HydrophobicContact CD2-CG1 3.74Å; L415-V422 HydrophobicContact CG-CG1 3.95Å; S419-V422 PolarHBondContact O-N 3.49Å; K420-V422 VanDerWaalsContact C-N 3.34Å; K420-V422 PolarHBondContact O-N 2.88Å; V422-K424 PolarHBondContact O-N 3.43Å; V422-L425 WeakPolarHBondContact O-CB 3.2Å; V422-L425 PolarHBondContact O-N 3.47Å
423M94.3Very high94.2Very high38 Ų3872 Ų7219%0.18735%0.348CS..Hα-helixtrans-62.4-23.1176.7-65.5-51.2-49.900113.4L415 Q418 S419 K420 I426L415-M423 HydrophobicContact CD2-SD 3.77Å; Q418-M423 HydrophobicContact CB-CG 4.16Å; Q418-M423 HydrophobicContact CB-SD 4.25Å; Q418-M423 HydrophobicContact CG-SD 4.27Å; S419-M423 WeakPolarHBondContact O-CG 3.37Å; S419-M423 PolarHBondContact O-N 3.46Å; K420-M423 PolarHBondContact O-N 3.28Å; M423-I426 HydrophobicContact CE-CD1 3.68Å; M423-I426 HydrophobicContact CE-CG1 4.17Å; M423-I426 HydrophobicContact SD-CD1 4.14Å
424K91.5Very high94.2Very high115 Ų11574.5 Ų74.550%0.536%0.364SS..THydrogen-bonded Turntrans-76.7-18173.2-74.2179.9173.2-175.80114.2K420 V422 D512K420-K424 WeakPolarHBondContact O-CG 3.49Å; K420-K424 PolarHBondContact O-N 2.9Å; V422-K424 PolarHBondContact O-N 3.43Å; K424-D512 IonicContact NZ-OD1 2.81Å; K424-D512 PolarHBondContact NZ-OD1 3.31Å; K424-D512 IonicContact NZ-OD2 3.93Å; K424-D512 PolarHBondContact NZ-OD2 3.46Å
425L93.1Very high94.2Very high91 Ų9170.7 Ų70.748%0.47635%0.349SS..SBendtrans-90.1-10.6-178.2-60.4174.8000113L389 V422L389-L425 HydrophobicContact CD2-CB 3.69Å; L389-L425 HydrophobicContact CD2-CD1 4.48Å; V422-L425 WeakPolarHBondContact O-CB 3.2Å; V422-L425 PolarHBondContact O-N 3.47Å
426I95.1Very high94.2Very high7 Ų776.5 Ų76.54%0.03637%0.374CS..BIsolated β-bridgetrans-119.2168.3-179.659.3156.2000110.3Y366 F368 L389 L415 M423Y366-I426 HydrophobicContact CD1-CD1 3.62Å; Y366-I426 HydrophobicContact CE1-CD1 4.13Å; F368-I426 HydrophobicContact CD1-CG2 3.99Å; F368-I426 HydrophobicContact CE1-CG2 4.01Å; L389-I426 HydrophobicContact CD2-CG2 4.04Å; L415-I426 HydrophobicContact CD2-CD1 3.44Å; L415-I426 VanDerWaalsContact CD2-CD1 3.44Å; L415-I426 HydrophobicContact CD2-CG1 4.29Å; M423-I426 HydrophobicContact CE-CD1 3.68Å; M423-I426 HydrophobicContact CE-CG1 4.17Å; M423-I426 HydrophobicContact SD-CD1 4.14Å
427D94.2Very high94.3Very high54 Ų5478.7 Ų78.729%0.28938%0.382SS..SBendtrans-67.9171.8174.1-150.9-22.5000110.7N367 L369 R377 S429N367-D427 HydrophobicContact CB-CB 3.82Å; N367-D427 WeakPolarHBondContact O-CB 3.09Å; N367-D427 PolarHBondContact O-N 3.36Å; L369-D427 HydrophobicContact CD2-CB 4.42Å; R377-D427 IonicContact CZ-OD2 3.35Å; R377-D427 IonicContact NH1-OD2 3.34Å; R377-D427 PolarHBondContact NH1-OD2 2.95Å; R377-D427 IonicContact NH2-OD2 2.8Å; D427-S429 PolarHBondContact O-N 3.09Å
428K93Very high94.4Very high184 Ų18473.3 Ų73.380%0.836%0.358SS*.PPolyproline II helixtrans-49.3128.1-177.5-174.9179.4178.8-179.10111.3
429S94.4Very high94.5Very high28 Ų2874.1 Ų74.120%0.19636%0.36CS..PPolyproline II helixtrans-53.3131.9175-175.10000111.2Q418 D427 F431Q418-S429 PolarHBondContact NE2-OG 2.85Å; D427-S429 PolarHBondContact O-N 3.09Å; S429-F431 WeakPolarHBondContact CB-O 3.31Å; S429-F431 PolarHBondContact O-N 3.31Å; S429-F431 PolarHBondContact OG-N 3.22Å; S429-F431 VanDerWaalsContact OG-N 3.14Å; S429-F431 PolarHBondContact OG-O 3.5Å
430P95Very high94.7Very high38 Ų3872.2 Ų72.225%0.24735%0.347CS..SBendtrans-75.6-1.1170.432.4-35.7000113.1K364 E365 Y366K364-P430 HydrophobicContact CB-CB 3.83Å; K364-P430 HydrophobicContact CB-CG 4.06Å; K364-P430 HydrophobicContact CD-CB 4.06Å; K364-P430 PolarHBondContact NZ-O 3.08Å; E365-P430 WeakPolarHBondContact O-CG 3.29Å; Y366-P430 HydrophobicContact CD1-CG 4.3Å; Y366-P430 HydrophobicContact CE1-CG 4.34Å
431F95.8Very high95Very high20 Ų2064.6 Ų64.69%0.08832%0.315CS..  trans-124135-180-56.9-82.8000112.1G355 K364 Y366 Q418 S429 K433 P435G355-F431 WeakPolarHBondContact O-CZ 3.47Å; K364-F431 HydrophobicContact CB-CE1 4.42Å; K364-F431 HydrophobicContact CB-CE2 4.07Å; K364-F431 HydrophobicContact CB-CZ 3.66Å; K364-F431 HydrophobicContact CD-CE1 4Å; K364-F431 HydrophobicContact CD-CZ 4.06Å; K364-F431 HydrophobicContact CG-CE1 4.28Å; K364-F431 HydrophobicContact CG-CZ 3.97Å; Y366-F431 HydrophobicContact CE2-CD2 4.36Å; Y366-F431 HydrophobicContact CE2-CE2 4.16Å; Y366-F431 AromaticContact CZ-CD2 3.94Å; Q418-F431 PolarHBondContact NE2-O 3.38Å; S429-F431 WeakPolarHBondContact CB-O 3.31Å; S429-F431 PolarHBondContact O-N 3.31Å; S429-F431 PolarHBondContact OG-N 3.22Å; S429-F431 VanDerWaalsContact OG-N 3.14Å; S429-F431 PolarHBondContact OG-O 3.5Å; F431-K433 WeakPolarHBondContact CB-O 3.47Å; F431-P435 HydrophobicContact CD1-CB 4.31Å; F431-P435 HydrophobicContact CD2-CB 4.1Å; F431-P435 HydrophobicContact CD2-CG 4.09Å; F431-P435 HydrophobicContact CE1-CB 4.36Å; F431-P435 HydrophobicContact CE2-CB 4.16Å; F431-P435 HydrophobicContact CE2-CG 4.33Å; F431-P435 HydrophobicContact CG-CB 4.22Å; F431-P435 HydrophobicContact CZ-CB 4.32Å
432E94Very high95.3Very high195 Ų19560.7 Ų60.791%0.91129%0.289SS*.SBendtrans-73.9-33.6173.1-65.1178.6179.500113
433K94.8Very high95.5Very high168 Ų16861.6 Ų61.673%0.7329%0.291SS*.SBendtrans-117.7154.7174.5-65.1-177.8-177.6178.40109.5Q418 F431Q418-K433 VanDerWaalsContact NE2-C 3.32Å; Q418-K433 PolarHBondContact NE2-O 3.04Å; F431-K433 WeakPolarHBondContact CB-O 3.47Å
434P95.2Very high95.7Very high62 Ų6260.9 Ų60.940%0.40329%0.289SS..  trans-54.6130.7178.6-21.429.8000111.6L416 Q418L416-P434 VanDerWaalsContact O-CB 3.24Å; L416-P434 WeakPolarHBondContact O-CB 3.43Å; Q418-P434 HydrophobicContact CB-CG 4.05Å; Q418-P434 HydrophobicContact CG-CB 3.94Å; Q418-P434 HydrophobicContact CG-CG 3.85Å
435P96.5Very high95.9Very high4 Ų455.4 Ų55.43%0.02627%0.265CS..  trans-69.1154.9178.731.6-36.7000110.5Y366 F431 I438Y366-P435 WeakPolarHBondContact OH-CD 3.42Å; Y366-P435 VanDerWaalsContact OH-CG 3.28Å; Y366-P435 WeakPolarHBondContact OH-CG 3.41Å; F431-P435 HydrophobicContact CD1-CB 4.31Å; F431-P435 HydrophobicContact CD2-CB 4.1Å; F431-P435 HydrophobicContact CD2-CG 4.09Å; F431-P435 HydrophobicContact CE1-CB 4.36Å; F431-P435 HydrophobicContact CE2-CB 4.16Å; F431-P435 HydrophobicContact CE2-CG 4.33Å; F431-P435 HydrophobicContact CG-CB 4.22Å; F431-P435 HydrophobicContact CZ-CB 4.32Å; P435-I438 HydrophobicContact CG-CD1 4.29Å; P435-I438 HydrophobicContact CG-CG1 4.05Å
436K96.8Very high96.1Very high122 Ų12253.9 Ų53.953%0.5326%0.257SS..SBendtrans-74-31.3178.3-169.5169.8-179.7175.10112.5A356 S471A356-K436 PolarHBondContact O-N 3.26Å; A356-K436 VanDerWaalsContact O-N 3.15Å; K436-S471 WeakPolarHBondContact O-CA 3.31Å; K436-S471 WeakPolarHBondContact O-CB 3.36Å
437Y98Very high96.2Very high52 Ų5253.9 Ų53.920%0.20426%0.257CS..EExtended strand (participates in β ladder)trans-133.5144.7-176.9-53.5-76.3000111.1G355 A356 T470G355-Y437 CarbonylContact C-O 3.5Å; G355-Y437 VanDerWaalsContact CA-O 3.25Å; G355-Y437 WeakPolarHBondContact CA-O 2.97Å; A356-Y437 PolarHBondContact N-O 3.12Å; A356-Y437 PolarHBondContact O-N 3Å; Y437-T470 CarbonylContact C-O 3.57Å; Y437-T470 VanDerWaalsContact CA-O 3.28Å; Y437-T470 WeakPolarHBondContact CA-O 3.46Å
438I98Very high96.2Very high0 Ų051.6 Ų51.60%025%0.245CC..EExtended strand (participates in β ladder)trans-127.8140.7165.6-68.1-176.3000108.4L353 E354 Y366 T412 L415 L416 P435 M467 P469 T470L353-I438 HydrophobicContact CD2-CG2 4.45Å; E354-I438 CarbonylContact O-C 3.56Å; E354-I438 VanDerWaalsContact O-CA 3.26Å; E354-I438 WeakPolarHBondContact O-CA 3.37Å; Y366-I438 HydrophobicContact CE2-CD1 3.82Å; Y366-I438 HydrophobicContact CE2-CG1 4.19Å; T412-I438 HydrophobicContact CG2-CB 4.2Å; T412-I438 HydrophobicContact CG2-CG2 3.93Å; L415-I438 HydrophobicContact CB-CD1 3.53Å; L416-I438 HydrophobicContact CD2-CB 4.19Å; L416-I438 HydrophobicContact CD2-CD1 4.16Å; L416-I438 HydrophobicContact CD2-CG1 3.75Å; L416-I438 HydrophobicContact CG-CB 4.24Å; L416-I438 HydrophobicContact CG-CD1 3.85Å; L416-I438 HydrophobicContact CG-CG1 3.92Å; P435-I438 HydrophobicContact CG-CD1 4.29Å; P435-I438 HydrophobicContact CG-CG1 4.05Å; I438-M467 HydrophobicContact CG2-CE 4.23Å; I438-P469 WeakPolarHBondContact O-CA 3.36Å; I438-T470 PolarHBondContact N-O 3.3Å; I438-T470 PolarHBondContact O-N 2.94Å
439R97.3Very high96.2Very high59 Ų5947.8 Ų47.822%0.22323%0.233CC..EExtended strand (participates in β ladder)trans-129.9168.317075.5-177.6-177.3-169-5.3109.9E354 W363 P469E354-R439 HydrophobicContact CB-CG 4.05Å; E354-R439 PolarHBondContact N-O 2.98Å; E354-R439 PolarHBondContact O-N 3.46Å; E354-R439 IonicContact OE1-CZ 3.78Å; E354-R439 IonicContact OE1-NE 3.77Å; E354-R439 IonicContact OE1-NH2 2.91Å; E354-R439 PolarHBondContact OE1-NH2 2.89Å; E354-R439 IonicContact OE2-CZ 3.43Å; E354-R439 IonicContact OE2-NE 2.8Å; E354-R439 PolarHBondContact OE2-NE 3.47Å; E354-R439 IonicContact OE2-NH2 3.25Å; E354-R439 PolarHBondContact OE2-NH2 2.87Å; W363-R439 HydrophobicContact CD2-CG 4.38Å; W363-R439 HydrophobicContact CE3-CG 3.72Å; W363-R439 HydrophobicContact CH2-CB 3.97Å; W363-R439 HydrophobicContact CH2-CG 3.92Å; W363-R439 HydrophobicContact CZ3-CB 3.81Å; W363-R439 HydrophobicContact CZ3-CG 3.48Å; W363-R439 VanDerWaalsContact CZ3-CG 3.48Å; R439-P469 HydrophobicContact CB-CG 4.08Å
440A97.9Very high96Very high0 Ų054.3 Ų54.30%025%0.254CS..EExtended strand (participates in β ladder)trans-128.2132.9172.300000110.5I351 V352 L353 F408 F466 M467I351-A440 HydrophobicContact CG2-CB 3.92Å; V352-A440 WeakPolarHBondContact O-CA 3.26Å; L353-A440 HydrophobicContact CD2-CB 3.69Å; F408-A440 HydrophobicContact CZ-CB 3.96Å; A440-F466 HydrophobicContact CB-CB 4.19Å; A440-F466 HydrophobicContact CB-CD1 4.16Å; A440-F466 WeakPolarHBondContact O-CA 3.38Å; A440-F466 WeakPolarHBondContact O-CB 3.42Å; A440-F466 PolarHBondContact O-N 3.26Å; A440-M467 HydrophobicContact CB-CB 3.73Å; A440-M467 HydrophobicContact CB-CE 4.27Å; A440-M467 PolarHBondContact N-O 2.97Å; A440-M467 PolarHBondContact O-N 3.44Å
441T97.2Very high95.6Very high15 Ų1559.5 Ų59.59%0.09228%0.28CS..EExtended strand (participates in β ladder)trans-117.4131.4177.5-57.50000108.9V352 E354 Y443 A462V352-T441 PolarHBondContact N-O 2.87Å; V352-T441 PolarHBondContact O-N 3.47Å; E354-T441 PolarHBondContact OE2-OG1 3.41Å; T441-Y443 HydrophobicContact CG2-CD2 3.89Å; T441-Y443 HydrophobicContact CG2-CE2 3.42Å; T441-Y443 VanDerWaalsContact CG2-CE2 3.42Å; T441-A462 HydrophobicContact CG2-CB 4.35Å
442L97Very high95.1Very high9 Ų961 Ų615%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-85.8122.7173.2-17468.8000109P349 I351 K463 K464 F466P349-L442 HydrophobicContact CB-CD1 4.11Å; I351-L442 HydrophobicContact CG1-CD1 3.97Å; L442-K463 HydrophobicContact CD2-CD 4.2Å; L442-K463 WeakPolarHBondContact O-CA 3.32Å; L442-K463 WeakPolarHBondContact O-CB 3.45Å; L442-K463 PolarHBondContact O-N 2.91Å; L442-K464 HydrophobicContact CB-CG 3.97Å; L442-K464 HydrophobicContact CD2-CD 4.45Å; L442-K464 HydrophobicContact CD2-CG 4.11Å; L442-K464 PolarHBondContact N-O 3.45Å; L442-K464 PolarHBondContact O-N 2.96Å; L442-F466 HydrophobicContact CB-CB 4.17Å; L442-F466 HydrophobicContact CB-CD2 4.39Å
443Y97.2Very high94.4Very high33 Ų3360.2 Ų60.213%0.12929%0.29CS..EExtended strand (participates in β ladder)trans-109.4161.3175-76.2-99.1000110.8P349 E350 V352 T441 Y445 R460 K461 A462P349-Y443 CarbonylContact C-O 3.54Å; P349-Y443 WeakPolarHBondContact CA-O 3.16Å; E350-Y443 PolarHBondContact N-O 2.97Å; E350-Y443 PolarHBondContact O-N 3.46Å; V352-Y443 HydrophobicContact CB-CD2 3.8Å; V352-Y443 HydrophobicContact CB-CE2 3.79Å; V352-Y443 HydrophobicContact CG1-CE2 4.37Å; V352-Y443 HydrophobicContact CG2-CD2 3.48Å; V352-Y443 VanDerWaalsContact CG2-CD2 3.48Å; V352-Y443 HydrophobicContact CG2-CE2 3.87Å; V352-Y443 HydrophobicContact CG2-CG 4.24Å; T441-Y443 HydrophobicContact CG2-CD2 3.89Å; T441-Y443 HydrophobicContact CG2-CE2 3.42Å; T441-Y443 VanDerWaalsContact CG2-CE2 3.42Å; Y443-Y445 HydrophobicContact CG-CE2 4.24Å; Y443-R460 HydrophobicContact CD1-CB 4.23Å; Y443-R460 HydrophobicContact CD1-CG 4.07Å; Y443-R460 HydrophobicContact CE1-CG 4.47Å; Y443-K461 CarbonylContact C-O 3.55Å; Y443-K461 VanDerWaalsContact CA-O 3.29Å; Y443-K461 WeakPolarHBondContact CA-O 3.06Å; Y443-K461 VanDerWaalsContact CD1-C 3.47Å; Y443-A462 HydrophobicContact CD1-CB 4.11Å; Y443-A462 HydrophobicContact CE1-CB 3.71Å
444T97Very high93.8Very high23 Ų2361.6 Ų61.614%0.14129%0.29CS..EExtended strand (participates in β ladder)trans-111125.2163.452.60000109.1R348 R460 K461 K463R348-T444 CarbonylContact O-C 3.42Å; R348-T444 WeakPolarHBondContact O-CA 3.24Å; T444-R460 CarbonylContact O-C 3.6Å; T444-R460 VanDerWaalsContact O-CA 3.23Å; T444-R460 WeakPolarHBondContact O-CA 3.29Å; T444-K461 PolarHBondContact N-O 2.9Å; T444-K461 PolarHBondContact O-N 3.02Å; T444-K461 PolarHBondContact OG1-O 3.3Å; T444-K463 HydrophobicContact CG2-CB 4.37Å; T444-K463 HydrophobicContact CG2-CD 3.95Å
445Y97.2Very high93.4Very high0 Ų065.5 Ų65.50%031%0.308CS..EExtended strand (participates in β ladder)trans-106.9143.4179.4-81.3-116.8000111G347 R348 E350 V352 P372 G373 Y443 W458 T459 R460G347-Y445 CarbonylContact C-O 3.58Å; R348-Y445 WeakPolarHBondContact CB-O 3.42Å; R348-Y445 PolarHBondContact N-O 3.42Å; R348-Y445 PolarHBondContact O-N 3.22Å; E350-Y445 HydrophobicContact CB-CD2 3.42Å; E350-Y445 VanDerWaalsContact CB-CD2 3.42Å; E350-Y445 HydrophobicContact CB-CE2 3.58Å; E350-Y445 HydrophobicContact CB-CG 4.29Å; E350-Y445 HydrophobicContact CG-CD2 3.91Å; E350-Y445 HydrophobicContact CG-CE2 3.72Å; V352-Y445 HydrophobicContact CG2-CE2 4.48Å; P372-Y445 HydrophobicContact CB-CD1 4.44Å; G373-Y445 WeakPolarHBondContact O-CE1 3.42Å; G373-Y445 VanDerWaalsContact O-CZ 3.3Å; G373-Y445 PolarHBondContact O-OH 3.19Å; Y443-Y445 HydrophobicContact CG-CE2 4.24Å; Y445-W458 HydrophobicContact CD1-CB 3.86Å; Y445-W458 HydrophobicContact CD1-CD2 4.15Å; Y445-W458 HydrophobicContact CD1-CE3 4.12Å; Y445-W458 HydrophobicContact CD1-CG 4.07Å; Y445-W458 HydrophobicContact CE1-CB 4.34Å; Y445-T459 CarbonylContact C-O 3.55Å; Y445-T459 VanDerWaalsContact CA-O 3.28Å; Y445-T459 WeakPolarHBondContact CA-O 3.23Å; Y445-R460 HydrophobicContact CD1-CB 4.03Å; Y445-R460 HydrophobicContact CD2-CB 3.76Å; Y445-R460 HydrophobicContact CE1-CB 3.94Å; Y445-R460 HydrophobicContact CE1-CG 4.47Å; Y445-R460 HydrophobicContact CE2-CB 3.67Å; Y445-R460 HydrophobicContact CE2-CG 4.37Å; Y445-R460 HydrophobicContact CG-CB 3.94Å; Y445-R460 WeakPolarHBondContact OH-CD 3.29Å; Y445-R460 PolarHBondContact OH-NH1 2.97Å
446N96.2Very high93.3Very high58 Ų5866.9 Ų66.931%0.3132%0.315SS..EExtended strand (participates in β ladder)trans-135.2149.9169.6-64.3-70.1000109.2G347 W458 T459G347-N446 WeakPolarHBondContact CA-OD1 3.49Å; N446-W458 CarbonylContact O-C 3.53Å; N446-W458 VanDerWaalsContact O-CA 3.28Å; N446-W458 WeakPolarHBondContact O-CA 3.29Å; N446-T459 PolarHBondContact N-O 3.26Å; N446-T459 PolarHBondContact O-N 3.25Å; N446-T459 PolarHBondContact O-OG1 2.98Å
447F96.4Very high93.2Very high7 Ų763.1 Ų63.13%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-62.6145.8166.5-75.4-39.1000110.2F141 N142 P147 A151 W152 H155 P379 W458F141-F447 HydrophobicContact CB-CE2 4.32Å; F141-F447 VanDerWaalsContact O-CE2 3.3Å; F141-F447 WeakPolarHBondContact O-CE2 3.32Å; N142-F447 HydrophobicContact CB-CD2 3.42Å; N142-F447 VanDerWaalsContact CB-CD2 3.42Å; N142-F447 HydrophobicContact CB-CE2 3.66Å; N142-F447 HydrophobicContact CB-CG 3.88Å; N142-F447 HydrophobicContact CB-CZ 4.31Å; P147-F447 HydrophobicContact CB-CZ 3.97Å; P147-F447 HydrophobicContact CG-CE1 4.49Å; P147-F447 HydrophobicContact CG-CZ 4.01Å; A151-F447 HydrophobicContact CB-CE2 3.96Å; A151-F447 HydrophobicContact CB-CZ 3.91Å; W152-F447 HydrophobicContact CB-CD1 4.36Å; W152-F447 HydrophobicContact CB-CD2 4.45Å; W152-F447 HydrophobicContact CB-CE1 4.27Å; W152-F447 HydrophobicContact CB-CE2 4.39Å; W152-F447 HydrophobicContact CB-CG 4.45Å; W152-F447 HydrophobicContact CB-CZ 4.32Å; W152-F447 AromaticContact CD1-CD1 3.57Å; W152-F447 AromaticContact CD1-CG 3.65Å; W152-F447 HydrophobicContact CG-CD1 4.35Å; W152-F447 HydrophobicContact CG-CG 4.34Å; H155-F447 HydrophobicContact CB-CD2 3.67Å; H155-F447 HydrophobicContact CB-CE2 4.21Å; H155-F447 AromaticContact CD2-CD2 3.98Å; H155-F447 AromaticContact CG-CD2 3.75Å; P379-F447 HydrophobicContact CG-CE1 4.16Å; F447-W458 AromaticContact CD1-CD2 3.95Å; F447-W458 HydrophobicContact CD1-CD2 3.95Å; F447-W458 AromaticContact CD1-CE3 3.69Å; F447-W458 HydrophobicContact CD1-CE3 3.69Å; F447-W458 AromaticContact CD1-CH2 3.74Å; F447-W458 HydrophobicContact CD1-CH2 3.74Å; F447-W458 AromaticContact CD1-CZ2 3.98Å; F447-W458 HydrophobicContact CD1-CZ2 3.98Å; F447-W458 AromaticContact CD1-CZ3 3.58Å; F447-W458 HydrophobicContact CD1-CZ3 3.58Å; F447-W458 HydrophobicContact CE1-CD2 4.11Å; F447-W458 AromaticContact CE1-CE2 3.73Å; F447-W458 AromaticContact CE1-CE3 4Å; F447-W458 HydrophobicContact CE1-CE3 4Å; F447-W458 AromaticContact CE1-CH2 3.18Å; F447-W458 HydrophobicContact CE1-CH2 3.18Å; F447-W458 AromaticContact CE1-CZ2 3.28Å; F447-W458 HydrophobicContact CE1-CZ2 3.28Å; F447-W458 AromaticContact CE1-CZ3 3.55Å; F447-W458 HydrophobicContact CE1-CZ3 3.55Å; F447-W458 HydrophobicContact CG-CZ3 4.32Å; F447-W458 AromaticContact CZ-CH2 3.71Å; F447-W458 HydrophobicContact CZ-CH2 3.71Å; F447-W458 HydrophobicContact CZ-CZ2 4.06Å; F447-W458 HydrophobicContact CZ-CZ3 4.24Å
448T96.2Very high93.1Very high6 Ų660.7 Ų60.74%0.03729%0.288CS..PPolyproline II helixtrans-68.8161.4169.344.10000111.2W152 Q156 D452 D456 W457 T459W152-T448 PolarHBondContact NE1-O 3.42Å; W152-T448 VanDerWaalsContact NE1-O 3.13Å; W152-T448 PolarHBondContact NE1-OG1 3.16Å; Q156-T448 PolarHBondContact NE2-O 3.25Å; T448-D452 HydrophobicContact CG2-CB 4.03Å; T448-D456 WeakPolarHBondContact CB-O 3.45Å; T448-D456 HydrophobicContact CG2-CB 4.24Å; T448-D456 VanDerWaalsContact CG2-O 3.3Å; T448-D456 WeakPolarHBondContact CG2-O 3.23Å; T448-D456 PolarHBondContact OG1-O 3.01Å; T448-W457 PolarHBondContact N-O 3.18Å; T448-W457 PolarHBondContact OG1-O 3.16Å; T448-T459 HydrophobicContact CG2-CG2 3.89Å
449N92.6Very high93Very high104 Ų10463.8 Ų63.856%0.55631%0.307SS*.PPolyproline II helixtrans-94.3170170.7-63.5-35.7000109.9D451 D452N449-D451 PolarHBondContact O-N 3.34Å; N449-D452 WeakPolarHBondContact O-CB 3.42Å; N449-D452 PolarHBondContact O-N 3.38Å
450W89.1Confident93Very high165 Ų16564.4 Ų64.463%0.62531%0.309SS*.THydrogen-bonded Turntrans-55.6-31.2176.3-71.3106.4000114.3W152 Y153 Q156 D452W152-W450 AromaticContact CH2-CD2 3.64Å; W152-W450 HydrophobicContact CH2-CD2 3.64Å; W152-W450 AromaticContact CH2-CE2 3.9Å; W152-W450 AromaticContact CH2-CE3 3.63Å; W152-W450 HydrophobicContact CH2-CE3 3.63Å; W152-W450 HydrophobicContact CH2-CG 4.23Å; W152-W450 HydrophobicContact CH2-CH2 4.18Å; W152-W450 HydrophobicContact CH2-CZ2 4.17Å; W152-W450 AromaticContact CH2-CZ3 3.91Å; W152-W450 HydrophobicContact CH2-CZ3 3.91Å; W152-W450 HydrophobicContact CZ3-CD2 4.08Å; W152-W450 AromaticContact CZ3-CE2 3.91Å; W152-W450 HydrophobicContact CZ3-CE3 4.02Å; W152-W450 AromaticContact CZ3-CH2 3.69Å; W152-W450 HydrophobicContact CZ3-CH2 3.69Å; W152-W450 AromaticContact CZ3-CZ2 3.72Å; W152-W450 HydrophobicContact CZ3-CZ2 3.72Å; W152-W450 AromaticContact CZ3-CZ3 3.83Å; W152-W450 HydrophobicContact CZ3-CZ3 3.83Å; Y153-W450 AromaticContact CD1-CH2 3.69Å; Y153-W450 HydrophobicContact CD1-CH2 3.69Å; Y153-W450 AromaticContact CD1-CZ2 3.96Å; Y153-W450 HydrophobicContact CD1-CZ2 3.96Å; Y153-W450 AromaticContact CE1-CH2 3.61Å; Y153-W450 HydrophobicContact CE1-CH2 3.61Å; Y153-W450 HydrophobicContact CE1-CZ2 4.34Å; Y153-W450 HydrophobicContact CE1-CZ3 4.27Å; Q156-W450 HydrophobicContact CB-CZ2 4.47Å; Q156-W450 VanDerWaalsContact CB-NE1 3.33Å; Q156-W450 HydrophobicContact CG-CZ2 4.34Å; W450-D452 VanDerWaalsContact C-N 3.27Å; W450-D452 PolarHBondContact O-N 3.44Å
451D86.3Confident92.9Very high147 Ų14771.9 Ų71.979%0.78634%0.341SS*.THydrogen-bonded Turntrans-85.36.3-175.7-51.5-45.3000113.6N449 L453N449-D451 PolarHBondContact O-N 3.34Å; D451-L453 PolarHBondContact O-N 3.34Å
452D85.3Confident92.9Very high51 Ų5173.8 Ų73.827%0.27336%0.359SS..  trans-70.7112.9-178.4-17262.9000112.1T448 N449 W450 R454 N455 D456T448-D452 HydrophobicContact CG2-CB 4.03Å; N449-D452 WeakPolarHBondContact O-CB 3.42Å; N449-D452 PolarHBondContact O-N 3.38Å; W450-D452 VanDerWaalsContact C-N 3.27Å; W450-D452 PolarHBondContact O-N 3.44Å; D452-R454 PolarHBondContact O-N 2.98Å; D452-R454 PolarHBondContact OD2-N 3.29Å; D452-N455 PolarHBondContact O-N 3.04Å; D452-D456 PolarHBondContact OD2-N 2.9Å
453L79.3Confident92.8Very high179 Ų17980.2 Ų80.294%0.93739%0.386SS*.THydrogen-bonded Turntrans-68.6-18.3-175.6-63.9172.4000114D451 N455D451-L453 PolarHBondContact O-N 3.34Å; L453-N455 VanDerWaalsContact C-N 3.28Å
454R84.2Confident92.7Very high198 Ų19882.9 Ų82.975%0.74740%0.399SS*.THydrogen-bonded Turntrans-80.9-12.4-177.1-63.2-177.4179.1-172.6-0112.7D452 D456D452-R454 PolarHBondContact O-N 2.98Å; D452-R454 PolarHBondContact OD2-N 3.29Å; R454-D456 HydrophobicContact CB-CB 4.26Å; R454-D456 PolarHBondContact O-N 3.03Å
455N85.4Confident92.6Very high143 Ų14387 Ų8777%0.76542%0.416SS*.  trans55.228.7-170.5-16027.6000111.9D452 L453D452-N455 PolarHBondContact O-N 3.04Å; L453-N455 VanDerWaalsContact C-N 3.28Å
456D94.3Very high92.6Very high33 Ų3387.6 Ų87.618%0.17642%0.419CS..  trans-79.3153.6174.7-79.7-29000109.3P375 Y376 T448 D452 R454P375-D456 HydrophobicContact CB-CB 4.35Å; Y376-D456 WeakPolarHBondContact CA-OD1 3.26Å; Y376-D456 VanDerWaalsContact CB-OD1 3.24Å; Y376-D456 WeakPolarHBondContact CB-OD1 3.36Å; Y376-D456 PolarHBondContact N-OD1 3.14Å; T448-D456 WeakPolarHBondContact CB-O 3.45Å; T448-D456 HydrophobicContact CG2-CB 4.24Å; T448-D456 VanDerWaalsContact CG2-O 3.3Å; T448-D456 WeakPolarHBondContact CG2-O 3.23Å; T448-D456 PolarHBondContact OG1-O 3.01Å; D452-D456 PolarHBondContact OD2-N 2.9Å; R454-D456 HydrophobicContact CB-CB 4.26Å; R454-D456 PolarHBondContact O-N 3.03Å
457W95.2Very high92.6Very high43 Ų4385 Ų8516%0.16341%0.405CS..SBendtrans-86.5-23.4172.7-71.878.8000111.8P149 W152 Y153 P375 R378 P379 T448P149-W457 HydrophobicContact CB-CH2 4.41Å; P149-W457 HydrophobicContact CB-CZ3 4.45Å; W152-W457 HydrophobicContact CB-CE3 3.9Å; W152-W457 HydrophobicContact CB-CZ3 3.76Å; W152-W457 AromaticContact CD1-CE3 3.94Å; W152-W457 HydrophobicContact CD2-CE3 4.47Å; W152-W457 HydrophobicContact CD2-CZ3 4.32Å; W152-W457 AromaticContact CG-CE3 3.84Å; W152-W457 HydrophobicContact CG-CE3 3.84Å; W152-W457 AromaticContact CG-CZ3 3.92Å; W152-W457 HydrophobicContact CG-CZ3 3.92Å; Y153-W457 HydrophobicContact CE2-CH2 4.42Å; P375-W457 PolarHBondContact O-N 3.4Å; R378-W457 HydrophobicContact CB-CD2 4.18Å; R378-W457 HydrophobicContact CB-CG 4.36Å; R378-W457 HydrophobicContact CB-CZ2 4.14Å; R378-W457 HydrophobicContact CG-CD2 4.08Å; R378-W457 HydrophobicContact CG-CE3 4.45Å; R378-W457 HydrophobicContact CG-CH2 4.01Å; R378-W457 HydrophobicContact CG-CZ2 3.58Å; R378-W457 HydrophobicContact CG-CZ3 4.41Å; P379-W457 HydrophobicContact CG-CE3 4.44Å; T448-W457 PolarHBondContact N-O 3.18Å; T448-W457 PolarHBondContact OG1-O 3.16Å
458W96.7Very high92.6Very high2 Ų287.6 Ų87.61%0.00842%0.423CS..EExtended strand (participates in β ladder)trans-135143.1-172.5-56.292.6000112.1N142 P147 P372 P375 R377 P379 Y445 N446 F447N142-W458 HydrophobicContact CB-CZ3 4.2Å; P147-W458 HydrophobicContact CG-CH2 3.75Å; P147-W458 HydrophobicContact CG-CZ2 3.78Å; P372-W458 HydrophobicContact CB-CH2 4.49Å; P372-W458 HydrophobicContact CB-CZ2 4.01Å; P372-W458 HydrophobicContact CG-CH2 3.89Å; P372-W458 HydrophobicContact CG-CZ2 3.54Å; P375-W458 WeakPolarHBondContact CB-O 3.33Å; P375-W458 PolarHBondContact O-N 3.41Å; P375-W458 VanDerWaalsContact O-N 3.11Å; R377-W458 PolarHBondContact O-NE1 3.18Å; P379-W458 HydrophobicContact CG-CZ2 3.96Å; Y445-W458 HydrophobicContact CD1-CB 3.86Å; Y445-W458 HydrophobicContact CD1-CD2 4.15Å; Y445-W458 HydrophobicContact CD1-CE3 4.12Å; Y445-W458 HydrophobicContact CD1-CG 4.07Å; Y445-W458 HydrophobicContact CE1-CB 4.34Å; N446-W458 CarbonylContact O-C 3.53Å; N446-W458 VanDerWaalsContact O-CA 3.28Å; N446-W458 WeakPolarHBondContact O-CA 3.29Å; F447-W458 AromaticContact CD1-CD2 3.95Å; F447-W458 HydrophobicContact CD1-CD2 3.95Å; F447-W458 AromaticContact CD1-CE3 3.69Å; F447-W458 HydrophobicContact CD1-CE3 3.69Å; F447-W458 AromaticContact CD1-CH2 3.74Å; F447-W458 HydrophobicContact CD1-CH2 3.74Å; F447-W458 AromaticContact CD1-CZ2 3.98Å; F447-W458 HydrophobicContact CD1-CZ2 3.98Å; F447-W458 AromaticContact CD1-CZ3 3.58Å; F447-W458 HydrophobicContact CD1-CZ3 3.58Å; F447-W458 HydrophobicContact CE1-CD2 4.11Å; F447-W458 AromaticContact CE1-CE2 3.73Å; F447-W458 AromaticContact CE1-CE3 4Å; F447-W458 HydrophobicContact CE1-CE3 4Å; F447-W458 AromaticContact CE1-CH2 3.18Å; F447-W458 HydrophobicContact CE1-CH2 3.18Å; F447-W458 AromaticContact CE1-CZ2 3.28Å; F447-W458 HydrophobicContact CE1-CZ2 3.28Å; F447-W458 AromaticContact CE1-CZ3 3.55Å; F447-W458 HydrophobicContact CE1-CZ3 3.55Å; F447-W458 HydrophobicContact CG-CZ3 4.32Å; F447-W458 AromaticContact CZ-CH2 3.71Å; F447-W458 HydrophobicContact CZ-CH2 3.71Å; F447-W458 HydrophobicContact CZ-CZ2 4.06Å; F447-W458 HydrophobicContact CZ-CZ3 4.24Å
459T95.9Very high92.6Very high64 Ų6489.4 Ų89.439%0.39343%0.434SS..EExtended strand (participates in β ladder)trans-100.5145.7157.455.40000108.4Y445 N446 T448Y445-T459 CarbonylContact C-O 3.55Å; Y445-T459 VanDerWaalsContact CA-O 3.28Å; Y445-T459 WeakPolarHBondContact CA-O 3.23Å; N446-T459 PolarHBondContact N-O 3.26Å; N446-T459 PolarHBondContact O-N 3.25Å; N446-T459 PolarHBondContact O-OG1 2.98Å; T448-T459 HydrophobicContact CG2-CG2 3.89Å
460R96.1Very high92.8Very high73 Ų7385 Ų8528%0.27541%0.412SS..EExtended strand (participates in β ladder)trans-139.3145.9175.870.8-177.3-178173.21.8112.2E365 P375 Y443 T444 Y445E365-R460 IonicContact OE1-CZ 2.7Å; E365-R460 IonicContact OE1-NH1 2.65Å; E365-R460 PolarHBondContact OE1-NH1 3.46Å; E365-R460 IonicContact OE1-NH2 3.16Å; E365-R460 PolarHBondContact OE1-NH2 3.01Å; E365-R460 IonicContact OE2-CZ 3.55Å; E365-R460 IonicContact OE2-NH1 2.64Å; E365-R460 PolarHBondContact OE2-NH1 2.99Å; E365-R460 IonicContact OE2-NH2 3.62Å; E365-R460 PolarHBondContact OE2-NH2 2.91Å; P375-R460 HydrophobicContact CG-CG 4.23Å; Y443-R460 HydrophobicContact CD1-CB 4.23Å; Y443-R460 HydrophobicContact CD1-CG 4.07Å; Y443-R460 HydrophobicContact CE1-CG 4.47Å; T444-R460 CarbonylContact O-C 3.6Å; T444-R460 VanDerWaalsContact O-CA 3.23Å; T444-R460 WeakPolarHBondContact O-CA 3.29Å; Y445-R460 HydrophobicContact CD1-CB 4.03Å; Y445-R460 HydrophobicContact CD2-CB 3.76Å; Y445-R460 HydrophobicContact CE1-CB 3.94Å; Y445-R460 HydrophobicContact CE1-CG 4.47Å; Y445-R460 HydrophobicContact CE2-CB 3.67Å; Y445-R460 HydrophobicContact CE2-CG 4.37Å; Y445-R460 HydrophobicContact CG-CB 3.94Å; Y445-R460 WeakPolarHBondContact OH-CD 3.29Å; Y445-R460 PolarHBondContact OH-NH1 2.97Å
461K96.9Very high93.2Very high156 Ų15678.5 Ų78.568%0.67839%0.391SS*.EExtended strand (participates in β ladder)trans-130.9133.2175.4-174.1177.3178.6179.40109.8Y443 T444 K463Y443-K461 CarbonylContact C-O 3.55Å; Y443-K461 VanDerWaalsContact CA-O 3.29Å; Y443-K461 WeakPolarHBondContact CA-O 3.06Å; Y443-K461 VanDerWaalsContact CD1-C 3.47Å; T444-K461 PolarHBondContact N-O 2.9Å; T444-K461 PolarHBondContact O-N 3.02Å; T444-K461 PolarHBondContact OG1-O 3.3Å; K461-K463 PolarHBondContact O-N 3.27Å
462A96.8Very high93.5Very high56 Ų5673.3 Ų73.346%0.46336%0.364SS..EExtended strand (participates in β ladder)trans-65.9130.6174.300000109.4T441 Y443T441-A462 HydrophobicContact CG2-CB 4.35Å; Y443-A462 HydrophobicContact CD1-CB 4.11Å; Y443-A462 HydrophobicContact CE1-CB 3.71Å
463K94.4Very high93.8Very high143 Ų14377 Ų7762%0.62239%0.385SS*.EExtended strand (participates in β ladder)trans-102.9-52.6-179.2-174.7176-178.5176.70111.4L442 T444 K461L442-K463 HydrophobicContact CD2-CD 4.2Å; L442-K463 WeakPolarHBondContact O-CA 3.32Å; L442-K463 WeakPolarHBondContact O-CB 3.45Å; L442-K463 PolarHBondContact O-N 2.91Å; T444-K463 HydrophobicContact CG2-CB 4.37Å; T444-K463 HydrophobicContact CG2-CD 3.95Å; K461-K463 PolarHBondContact O-N 3.27Å
464K94.6Very high94.5Very high89 Ų8970.8 Ų70.839%0.38735%0.352SS..EExtended strand (participates in β ladder)trans-158.2158.3178.564.4174.2-173.7173.20111.8L442 F466L442-K464 HydrophobicContact CB-CG 3.97Å; L442-K464 HydrophobicContact CD2-CD 4.45Å; L442-K464 HydrophobicContact CD2-CG 4.11Å; L442-K464 PolarHBondContact N-O 3.45Å; L442-K464 PolarHBondContact O-N 2.96Å; K464-F466 PolarHBondContact O-N 3.13Å
465E96.1Very high94.9Very high110 Ų11063.7 Ų63.751%0.51434%0.341SS..EExtended strand (participates in β ladder)trans-63.7122.8160.2-171.5174.191.900108.3P468E465-P468 WeakPolarHBondContact OE1-CA 3.39Å; E465-P468 WeakPolarHBondContact OE1-CB 3.25Å
466F96.4Very high95.3Very high13 Ų1362.4 Ų62.46%0.05733%0.334CS..EExtended strand (participates in β ladder)trans-91-43.5-179.8-173.7-102.5000110.9I351 F402 M405 F408 A440 L442 K464I351-F466 HydrophobicContact CD1-CD1 3.9Å; I351-F466 HydrophobicContact CD1-CD2 4.48Å; I351-F466 HydrophobicContact CD1-CE1 3.51Å; I351-F466 HydrophobicContact CD1-CE2 4.16Å; I351-F466 HydrophobicContact CD1-CG 4.37Å; I351-F466 HydrophobicContact CD1-CZ 3.68Å; I351-F466 HydrophobicContact CG1-CD1 4.26Å; I351-F466 HydrophobicContact CG1-CE1 4.35Å; I351-F466 HydrophobicContact CG1-CG 4.36Å; I351-F466 HydrophobicContact CG2-CD1 4.33Å; F402-F466 HydrophobicContact CB-CD1 4.03Å; F402-F466 HydrophobicContact CB-CE1 3.49Å; F402-F466 VanDerWaalsContact CB-CE1 3.49Å; F402-F466 HydrophobicContact CB-CZ 4.11Å; F402-F466 WeakPolarHBondContact CD1-O 3.3Å; M405-F466 HydrophobicContact CE-CE1 3.97Å; M405-F466 HydrophobicContact CE-CZ 3.74Å; F408-F466 HydrophobicContact CE1-CE1 4.35Å; F408-F466 HydrophobicContact CZ-CD1 4.36Å; F408-F466 HydrophobicContact CZ-CE1 4.34Å; A440-F466 HydrophobicContact CB-CB 4.19Å; A440-F466 HydrophobicContact CB-CD1 4.16Å; A440-F466 WeakPolarHBondContact O-CA 3.38Å; A440-F466 WeakPolarHBondContact O-CB 3.42Å; A440-F466 PolarHBondContact O-N 3.26Å; L442-F466 HydrophobicContact CB-CB 4.17Å; L442-F466 HydrophobicContact CB-CD2 4.39Å; K464-F466 PolarHBondContact O-N 3.13Å
467M96.8Very high95.2Very high3 Ų361.2 Ų61.22%0.01533%0.327CS..EExtended strand (participates in β ladder)trans-137.3129.1174.5179.9-169.171.100108.3F402 F408 L409 T412 I438 A440 T470F402-M467 HydrophobicContact CD1-CB 3.98Å; F402-M467 HydrophobicContact CD1-CG 4.25Å; F402-M467 HydrophobicContact CD2-CB 4.48Å; F402-M467 HydrophobicContact CD2-CG 4.03Å; F402-M467 HydrophobicContact CD2-SD 4.43Å; F402-M467 HydrophobicContact CE1-CB 4.23Å; F402-M467 HydrophobicContact CE1-CG 4.2Å; F402-M467 HydrophobicContact CE2-CG 3.99Å; F402-M467 HydrophobicContact CG-CB 4.08Å; F402-M467 HydrophobicContact CG-CG 4.14Å; F402-M467 HydrophobicContact CZ-CG 4.06Å; F408-M467 HydrophobicContact CE1-CB 4.5Å; F408-M467 HydrophobicContact CE1-SD 3.83Å; L409-M467 HydrophobicContact CD2-SD 3.85Å; T412-M467 HydrophobicContact CG2-CE 3.66Å; T412-M467 HydrophobicContact CG2-SD 4.16Å; I438-M467 HydrophobicContact CG2-CE 4.23Å; A440-M467 HydrophobicContact CB-CB 3.73Å; A440-M467 HydrophobicContact CB-CE 4.27Å; A440-M467 PolarHBondContact N-O 2.97Å; A440-M467 PolarHBondContact O-N 3.44Å; M467-T470 HydrophobicContact CE-CG2 4.1Å; M467-T470 HydrophobicContact SD-CG2 4.41Å
468P96.1Very high95.2Very high62 Ų6261.4 Ų61.440%0.40333%0.331SS..EExtended strand (participates in β ladder)trans-65.5161.8-179.928.6-35.6000111.6E465 T470E465-P468 WeakPolarHBondContact OE1-CA 3.39Å; E465-P468 WeakPolarHBondContact OE1-CB 3.25Å; P468-T470 PolarHBondContact O-N 3.49Å; P468-T470 VanDerWaalsContact O-N 3.13Å
469P97.2Very high95Very high43 Ų4366.1 Ų66.128%0.27935%0.353SS..EExtended strand (participates in β ladder)trans-50.1118.3170.3-30.238.2000112.5I359 W363 I438 R439I359-P469 HydrophobicContact CD1-CB 3.36Å; I359-P469 HydrophobicContact CD1-CG 3.71Å; W363-P469 HydrophobicContact CH2-CB 3.83Å; W363-P469 HydrophobicContact CH2-CG 3.88Å; W363-P469 HydrophobicContact CZ2-CB 4.22Å; W363-P469 HydrophobicContact CZ2-CG 3.96Å; I438-P469 WeakPolarHBondContact O-CA 3.36Å; R439-P469 HydrophobicContact CB-CG 4.08Å
470T96.4Very high94.9Very high13 Ų1364.9 Ų64.98%0.0834%0.342CS..EExtended strand (participates in β ladder)trans-121147.9174.9-170.90000110.9T412 L416 Y437 I438 M467 P468 N474 L477T412-T470 HydrophobicContact CG2-CG2 3.89Å; L416-T470 HydrophobicContact CD1-CG2 4.18Å; Y437-T470 CarbonylContact C-O 3.57Å; Y437-T470 VanDerWaalsContact CA-O 3.28Å; Y437-T470 WeakPolarHBondContact CA-O 3.46Å; I438-T470 PolarHBondContact N-O 3.3Å; I438-T470 PolarHBondContact O-N 2.94Å; M467-T470 HydrophobicContact CE-CG2 4.1Å; M467-T470 HydrophobicContact SD-CG2 4.41Å; P468-T470 PolarHBondContact O-N 3.49Å; P468-T470 VanDerWaalsContact O-N 3.13Å; T470-N474 WeakPolarHBondContact OG1-CB 3.39Å; T470-L477 HydrophobicContact CG2-CD2 4.2Å
471S96.4Very high94.8Very high28 Ų2861.4 Ų61.420%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-105.6168.6174.1640000111.1K436 D473 N474K436-S471 WeakPolarHBondContact O-CA 3.31Å; K436-S471 WeakPolarHBondContact O-CB 3.36Å; S471-D473 VanDerWaalsContact C-N 3.26Å; S471-D473 PolarHBondContact O-N 3.27Å; S471-N474 WeakPolarHBondContact O-CB 3.49Å; S471-N474 PolarHBondContact O-N 3.48Å; S471-N474 PolarHBondContact OG-N 3.38Å
472V93.5Very high94.6Very high37 Ų3758.2 Ų58.222%0.22432%0.315CS..THydrogen-bonded Turntrans-64.6-31179.168.40000113.1L416 K417L416-V472 HydrophobicContact CB-CB 4.13Å; L416-V472 HydrophobicContact CB-CG2 4.38Å; K417-V472 HydrophobicContact CD-CG2 4.18Å; K417-V472 HydrophobicContact CG-CG2 3.71Å
473D92.2Very high94.4Very high130 Ų13061.3 Ų61.370%0.69532%0.32SS*.THydrogen-bonded Turntrans-96.510.5-178.1-52.5-51.2000112.8S471 G475S471-D473 VanDerWaalsContact C-N 3.26Å; S471-D473 PolarHBondContact O-N 3.27Å; D473-G475 PolarHBondContact O-N 2.93Å; D473-G475 VanDerWaalsContact O-N 3.12Å
474N93.4Very high94.3Very high48 Ų4857.3 Ų57.326%0.25731%0.305SS..  trans-61117.9178.8179.4-64.3000110T470 S471 D476 L477 L478T470-N474 WeakPolarHBondContact OG1-CB 3.39Å; S471-N474 WeakPolarHBondContact O-CB 3.49Å; S471-N474 PolarHBondContact O-N 3.48Å; S471-N474 PolarHBondContact OG-N 3.38Å; N474-D476 PolarHBondContact O-N 3.45Å; N474-D476 WeakPolarHBondContact OD1-CB 3.44Å; N474-D476 PolarHBondContact OD1-N 3.45Å; N474-L477 HydrophobicContact CB-CB 4.01Å; N474-L477 PolarHBondContact O-N 2.97Å; N474-L477 PolarHBondContact OD1-N 3.49Å; N474-L478 WeakPolarHBondContact O-CG 3.35Å; N474-L478 PolarHBondContact O-N 3.49Å
475G93Very high93.9Very high49 Ų4959.5 Ų59.551%0.50532%0.321SS..Hα-helixtrans-59.1-43.4-175.900000113.2D473 L477 L478 Q479D473-G475 PolarHBondContact O-N 2.93Å; D473-G475 VanDerWaalsContact O-N 3.12Å; G475-L477 PolarHBondContact O-N 2.96Å; G475-L478 PolarHBondContact O-N 3.45Å; G475-Q479 VanDerWaalsContact O-CB 3.28Å; G475-Q479 WeakPolarHBondContact O-CB 3.28Å; G475-Q479 PolarHBondContact O-N 3.23Å
476D92.6Very high93.5Very high115 Ų11557.3 Ų57.362%0.61531%0.312SS*.Hα-helixtrans-64.3-42179.6-60.1-19.2000111.6N474 Y480N474-D476 PolarHBondContact O-N 3.45Å; N474-D476 WeakPolarHBondContact OD1-CB 3.44Å; N474-D476 PolarHBondContact OD1-N 3.45Å; D476-Y480 WeakPolarHBondContact O-CB 3.08Å; D476-Y480 PolarHBondContact O-N 2.86Å
477L93.6Very high92.7Very high8 Ų858.9 Ų58.94%0.04232%0.321CS..Hα-helixtrans-63.3-47.2176.5176.361000110.9L409 H413 L416 T470 N474 G475 Y480 L481L409-L477 HydrophobicContact CB-CD1 3.99Å; L409-L477 HydrophobicContact CD2-CD1 4Å; L409-L477 HydrophobicContact CG-CD1 4.42Å; H413-L477 HydrophobicContact CB-CD2 4.16Å; L416-L477 HydrophobicContact CD1-CD2 4.46Å; T470-L477 HydrophobicContact CG2-CD2 4.2Å; N474-L477 HydrophobicContact CB-CB 4.01Å; N474-L477 PolarHBondContact O-N 2.97Å; N474-L477 PolarHBondContact OD1-N 3.49Å; G475-L477 PolarHBondContact O-N 2.96Å; L477-Y480 PolarHBondContact O-N 2.88Å; L477-L481 HydrophobicContact CD1-CD1 3.92Å; L477-L481 HydrophobicContact CD1-CG 4.15Å; L477-L481 HydrophobicContact CG-CD1 4.06Å; L477-L481 WeakPolarHBondContact O-CB 3.29Å; L477-L481 WeakPolarHBondContact O-CG 3.34Å; L477-L481 PolarHBondContact O-N 2.95Å
478L94.1Very high91.2Very high47 Ų4763.6 Ų63.625%0.24635%0.35CS..Hα-helixtrans-64.4-43.3179.5-68.6176000111.4N474 G475 L481 K482 I487N474-L478 WeakPolarHBondContact O-CG 3.35Å; N474-L478 PolarHBondContact O-N 3.49Å; G475-L478 PolarHBondContact O-N 3.45Å; L478-L481 PolarHBondContact O-N 3.4Å; L478-K482 WeakPolarHBondContact O-CG 3.23Å; L478-K482 PolarHBondContact O-N 2.94Å; L478-I487 HydrophobicContact CD2-CD1 3.7Å
479Q93.5Very high89.2Confident101 Ų10167.5 Ų67.547%0.47236%0.363SS..Hα-helixtrans-60.9-49.3176.9-177.959.624.200111.1G475 L481 K482 E483G475-Q479 VanDerWaalsContact O-CB 3.28Å; G475-Q479 WeakPolarHBondContact O-CB 3.28Å; G475-Q479 PolarHBondContact O-N 3.23Å; Q479-L481 VanDerWaalsContact C-N 3.31Å; Q479-L481 PolarHBondContact O-N 3.25Å; Q479-K482 WeakPolarHBondContact O-CB 3.19Å; Q479-K482 PolarHBondContact O-N 3.42Å; Q479-K482 VanDerWaalsContact O-N 3.11Å; Q479-E483 WeakPolarHBondContact CG-OE1 3.28Å; Q479-E483 PolarHBondContact NE2-OE1 3.49Å; Q479-E483 WeakPolarHBondContact O-CG 3.34Å; Q479-E483 PolarHBondContact O-N 3.24Å
480Y93.9Very high87.2Confident38 Ų3873.9 Ų73.915%0.14939%0.386CS..Hα-helixtrans-57.6-43.5177.7-177.5-85.5000112.2R403 P406 L409 D476 L477 K482 E483 N484R403-Y480 PolarHBondContact O-OH 3.28Å; P406-Y480 HydrophobicContact CB-CE1 4.25Å; L409-Y480 HydrophobicContact CD1-CD1 3.53Å; L409-Y480 HydrophobicContact CD1-CE1 3.55Å; L409-Y480 HydrophobicContact CD1-CG 4.15Å; D476-Y480 WeakPolarHBondContact O-CB 3.08Å; D476-Y480 PolarHBondContact O-N 2.86Å; L477-Y480 PolarHBondContact O-N 2.88Å; Y480-K482 VanDerWaalsContact C-N 3.35Å; Y480-E483 PolarHBondContact O-N 3.06Å; Y480-N484 WeakPolarHBondContact CE1-ND2 3.24Å; Y480-N484 VanDerWaalsContact CZ-ND2 3.34Å; Y480-N484 PolarHBondContact O-N 3.28Å; Y480-N484 VanDerWaalsContact O-N 3.11Å; Y480-N484 PolarHBondContact O-ND2 3.5Å
481L94.2Very high85.3Confident1 Ų179.1 Ų79.11%0.00542%0.418CS..Hα-helixtrans-69.7-30.8178.9-68.6175000112.9L409 H413 L477 L478 Q479 N485 L486 I487L409-L481 HydrophobicContact CB-CD2 4.14Å; H413-L481 HydrophobicContact CB-CD1 3.59Å; L477-L481 HydrophobicContact CD1-CD1 3.92Å; L477-L481 HydrophobicContact CD1-CG 4.15Å; L477-L481 HydrophobicContact CG-CD1 4.06Å; L477-L481 WeakPolarHBondContact O-CB 3.29Å; L477-L481 WeakPolarHBondContact O-CG 3.34Å; L477-L481 PolarHBondContact O-N 2.95Å; L478-L481 PolarHBondContact O-N 3.4Å; Q479-L481 VanDerWaalsContact C-N 3.31Å; Q479-L481 PolarHBondContact O-N 3.25Å; L481-N485 PolarHBondContact O-N 2.91Å; L481-L486 HydrophobicContact CB-CB 4.4Å; L481-L486 HydrophobicContact CD2-CB 4.01Å; L481-L486 HydrophobicContact CD2-CD1 3.83Å; L481-L486 PolarHBondContact O-N 2.7Å; L481-I487 HydrophobicContact CB-CD1 3.59Å; L481-I487 HydrophobicContact CB-CG1 3.82Å; L481-I487 HydrophobicContact CD1-CD1 3.81Å; L481-I487 HydrophobicContact CD1-CG1 4.27Å; L481-I487 HydrophobicContact CG-CD1 4.37Å; L481-I487 PolarHBondContact O-N 3.31Å
482K92.1Very high83.5Confident88 Ų8883.2 Ų83.238%0.38344%0.441SS..Hα-helixtrans-69.3-46.4172.8-74.1-178.3-175.9-155.30111.4L478 Q479 Y480 N484 N485 E489L478-K482 WeakPolarHBondContact O-CG 3.23Å; L478-K482 PolarHBondContact O-N 2.94Å; Q479-K482 WeakPolarHBondContact O-CB 3.19Å; Q479-K482 PolarHBondContact O-N 3.42Å; Q479-K482 VanDerWaalsContact O-N 3.11Å; Y480-K482 VanDerWaalsContact C-N 3.35Å; K482-N484 PolarHBondContact O-N 3.16Å; K482-N485 PolarHBondContact O-N 3.33Å; K482-E489 WeakPolarHBondContact CE-OE1 3.1Å; K482-E489 IonicContact NZ-OE1 3.21Å; K482-E489 PolarHBondContact NZ-OE1 3.26Å
483E92.4Very high81.8Confident121 Ų12191 Ų9157%0.56547%0.473SS*.Hα-helixtrans-58.1-34.9176.9-72.7169.7-177.700112.2Q479 Y480 N485Q479-E483 WeakPolarHBondContact CG-OE1 3.28Å; Q479-E483 PolarHBondContact NE2-OE1 3.49Å; Q479-E483 WeakPolarHBondContact O-CG 3.34Å; Q479-E483 PolarHBondContact O-N 3.24Å; Y480-E483 PolarHBondContact O-N 3.06Å; E483-N485 VanDerWaalsContact C-N 3.34Å
484N91.4Very high80.4Confident59 Ų5989.1 Ų89.132%0.31646%0.456SS..THydrogen-bonded Turntrans-88.38.6176.8-74.5-91.3000114.1P406 Y480 K482 L486P406-N484 HydrophobicContact CB-CB 4.21Å; P406-N484 WeakPolarHBondContact CG-OD1 3.43Å; Y480-N484 WeakPolarHBondContact CE1-ND2 3.24Å; Y480-N484 VanDerWaalsContact CZ-ND2 3.34Å; Y480-N484 PolarHBondContact O-N 3.28Å; Y480-N484 VanDerWaalsContact O-N 3.11Å; Y480-N484 PolarHBondContact O-ND2 3.5Å; K482-N484 PolarHBondContact O-N 3.16Å; N484-L486 HydrophobicContact CB-CD1 3.98Å; N484-L486 HydrophobicContact CB-CG 4.15Å; N484-L486 PolarHBondContact O-N 3.35Å
485N87.9Confident78.8Confident136 Ų13691.8 Ų91.873%0.72748%0.476SS*.THydrogen-bonded Turntrans57.228.7-178.5-58.6-67000114.9L481 K482 E483L481-N485 PolarHBondContact O-N 2.91Å; K482-N485 PolarHBondContact O-N 3.33Å; E483-N485 VanDerWaalsContact C-N 3.34Å
486L87.1Confident77.4Confident63 Ų6394.8 Ų94.833%0.3348%0.476SS..  trans-94.8-14.8-178.4-66.7171.5000113.6P406 L481 N484P406-L486 HydrophobicContact CB-CD1 3.51Å; P406-L486 VanDerWaalsContact O-CD1 3.29Å; P406-L486 WeakPolarHBondContact O-CD1 3.22Å; L481-L486 HydrophobicContact CB-CB 4.4Å; L481-L486 HydrophobicContact CD2-CB 4.01Å; L481-L486 HydrophobicContact CD2-CD1 3.83Å; L481-L486 PolarHBondContact O-N 2.7Å; N484-L486 HydrophobicContact CB-CD1 3.98Å; N484-L486 HydrophobicContact CB-CG 4.15Å; N484-L486 PolarHBondContact O-N 3.35Å
487I80.2Confident76.2Confident46 Ų4692.8 Ų92.824%0.23647%0.466CS..SBendtrans-112.4107.9165.6-64.2170.5000107.2L478 L481L478-I487 HydrophobicContact CD2-CD1 3.7Å; L481-I487 HydrophobicContact CB-CD1 3.59Å; L481-I487 HydrophobicContact CB-CG1 3.82Å; L481-I487 HydrophobicContact CD1-CD1 3.81Å; L481-I487 HydrophobicContact CD1-CG1 4.27Å; L481-I487 HydrophobicContact CG-CD1 4.37Å; L481-I487 PolarHBondContact O-N 3.31Å
488V63.5Low75.3Confident102 Ų10295.8 Ų95.862%0.61849%0.487SS*.  trans-88.9113.5176-174.50000108.4K490V488-K490 VanDerWaalsContact C-N 3.28Å; V488-K490 VanDerWaalsContact CG1-O 3.3Å; V488-K490 WeakPolarHBondContact CG1-O 3.46Å; V488-K490 PolarHBondContact O-N 2.9Å
489E55.6Low75Confident144 Ų144100.6 Ų100.667%0.67351%0.51SS*.SBendtrans-68.6-27.1179-67.1-174.116700112.7K482K482-E489 WeakPolarHBondContact CE-OE1 3.1Å; K482-E489 IonicContact NZ-OE1 3.21Å; K482-E489 PolarHBondContact NZ-OE1 3.26Å
490K54.1Low74.6Confident178 Ų17897.1 Ų97.177%0.77450%0.499SS*.  trans-130100.2180-68.5-179.3-178.1174.90111V488 V492V488-K490 VanDerWaalsContact C-N 3.28Å; V488-K490 VanDerWaalsContact CG1-O 3.3Å; V488-K490 WeakPolarHBondContact CG1-O 3.46Å; V488-K490 PolarHBondContact O-N 2.9Å; K490-V492 PolarHBondContact O-N 2.89Å
491T57.5Low74.2Confident122 Ų12295.5 Ų95.575%0.74849%0.493SS*.  trans-66.6116.9164.6-390000107.7K493T491-K493 PolarHBondContact O-N 3.38Å
492V59Low74Confident114 Ų114103.7 Ų103.769%0.69152%0.524SS*.  trans-59.9109.1170.2179.20000107.2K490 R494K490-V492 PolarHBondContact O-N 2.89Å; V492-R494 VanDerWaalsContact C-N 3.31Å; V492-R494 HydrophobicContact CG1-CG 4.05Å; V492-R494 PolarHBondContact O-N 3.47Å
493K56.8Low74Confident202 Ų202106 Ų10688%0.87853%0.534SS*.  trans-68.392.6171.8-74.4-172.7179.1-179.40107.6T491T491-K493 PolarHBondContact O-N 3.38Å
494R63Low73.9Confident89 Ų89100.5 Ų100.534%0.33651%0.509SS..  trans-77.1140.8172.5-66.3-178.4177.1-173.7-5.9108.9S11 L16 V492 Q496S11-R494 PolarHBondContact OG-NH1 3.46Å; L16-R494 PolarHBondContact O-NH1 3.2Å; V492-R494 VanDerWaalsContact C-N 3.31Å; V492-R494 HydrophobicContact CG1-CG 4.05Å; V492-R494 PolarHBondContact O-N 3.47Å; R494-Q496 PolarHBondContact O-N 3.41Å
495P60.7Low73.9Confident105 Ų105101.6 Ų101.668%0.68251%0.512SS*.  trans-61.6106169.724-29.9000108.4S15S15-P495 VanDerWaalsContact CB-O 3.23Å; S15-P495 WeakPolarHBondContact CB-O 3.43Å
496Q63.4Low74.1Confident111 Ų11197.6 Ų97.652%0.51950%0.498SS..  trans-74.2131.5-178.1-70-170.9-53.300110.1E20 R494 S498E20-Q496 PolarHBondContact OE1-NE2 2.85Å; E20-Q496 PolarHBondContact OE2-NE2 3.19Å; R494-Q496 PolarHBondContact O-N 3.41Å; Q496-S498 PolarHBondContact O-N 3.49Å
497N66Low74.3Confident73 Ų7396 Ų9639%0.3949%0.494SS..  trans-61.7108.2164.1-175.8-25.8000108.4M499 A500 S501N497-M499 VanDerWaalsContact C-N 3.28Å; N497-M499 PolarHBondContact O-N 3.33Å; N497-M499 PolarHBondContact OD1-N 3.42Å; N497-A500 HydrophobicContact CB-CB 4.29Å; N497-S501 VanDerWaalsContact O-CB 3.29Å; N497-S501 WeakPolarHBondContact O-CB 3.47Å; N497-S501 PolarHBondContact O-N 2.95Å; N497-S501 PolarHBondContact O-OG 2.87Å
498S75.9Confident74.8Confident71 Ų7197.7 Ų97.750%0.49750%0.497SS..Hα-helixtrans-65.8-31-169.367.40000112.4Q496 R502Q496-S498 PolarHBondContact O-N 3.49Å; S498-R502 VanDerWaalsContact O-CB 3.29Å; S498-R502 WeakPolarHBondContact O-CB 3.27Å; S498-R502 VanDerWaalsContact O-CD 3.29Å; S498-R502 WeakPolarHBondContact O-CD 3.3Å; S498-R502 WeakPolarHBondContact O-CG 3.14Å; S498-R502 PolarHBondContact O-N 3.5Å; S498-R502 VanDerWaalsContact O-N 3.13Å
499M86.2Confident76.1Confident148 Ų14899 Ų9973%0.72950%0.496SS*.Hα-helixtrans-75.9-50.6-179.5-171.8-178.8-68.900111.7N497 S501 R502 F503N497-M499 VanDerWaalsContact C-N 3.28Å; N497-M499 PolarHBondContact O-N 3.33Å; N497-M499 PolarHBondContact OD1-N 3.42Å; M499-S501 VanDerWaalsContact C-N 3.33Å; M499-S501 PolarHBondContact O-N 3.15Å; M499-R502 PolarHBondContact O-N 3.47Å; M499-F503 PolarHBondContact O-N 3.24Å
500A86Confident77.8Confident28 Ų2898.3 Ų98.323%0.23149%0.492CS..Hα-helixtrans-61.4-43.4178.900000111.2L16 N497 R502 F503 L504L16-A500 HydrophobicContact CD2-CB 4.07Å; N497-A500 HydrophobicContact CB-CB 4.29Å; A500-R502 PolarHBondContact O-N 3.1Å; A500-F503 PolarHBondContact O-N 3.2Å; A500-L504 WeakPolarHBondContact O-CG 3.24Å; A500-L504 PolarHBondContact O-N 2.77Å
501S85.9Confident79.5Confident4 Ų491.7 Ų91.73%0.02847%0.468CS..Hα-helixtrans-64-39.5178.1-49.70000111.8N497 M499 L504 Q505N497-S501 VanDerWaalsContact O-CB 3.29Å; N497-S501 WeakPolarHBondContact O-CB 3.47Å; N497-S501 PolarHBondContact O-N 2.95Å; N497-S501 PolarHBondContact O-OG 2.87Å; M499-S501 VanDerWaalsContact C-N 3.33Å; M499-S501 PolarHBondContact O-N 3.15Å; S501-L504 PolarHBondContact O-N 3.34Å; S501-Q505 WeakPolarHBondContact O-CB 3.47Å; S501-Q505 WeakPolarHBondContact O-CG 3.35Å; S501-Q505 PolarHBondContact O-N 3.09Å
502R89.7Confident81Confident174 Ų17489.6 Ų89.666%0.65745%0.452SS*.Hα-helixtrans-64-43.2174.1-78.1170.8-169.5-175.34.1112.3S498 M499 A500 Q505 A506S498-R502 VanDerWaalsContact O-CB 3.29Å; S498-R502 WeakPolarHBondContact O-CB 3.27Å; S498-R502 VanDerWaalsContact O-CD 3.29Å; S498-R502 WeakPolarHBondContact O-CD 3.3Å; S498-R502 WeakPolarHBondContact O-CG 3.14Å; S498-R502 PolarHBondContact O-N 3.5Å; S498-R502 VanDerWaalsContact O-N 3.13Å; M499-R502 PolarHBondContact O-N 3.47Å; A500-R502 PolarHBondContact O-N 3.1Å; R502-Q505 PolarHBondContact O-N 3.13Å; R502-A506 PolarHBondContact O-N 2.7Å
503F91.7Very high82.4Confident135 Ų13591.4 Ų91.459%0.59245%0.453SS*.Hα-helixtrans-61.6-46.3176.6174.8-100.6000111.6L27 M499 A500 Q505 A506 A507L27-F503 HydrophobicContact CD1-CD1 4.45Å; L27-F503 HydrophobicContact CD1-CE1 3.69Å; L27-F503 HydrophobicContact CD1-CZ 4.47Å; M499-F503 PolarHBondContact O-N 3.24Å; A500-F503 PolarHBondContact O-N 3.2Å; F503-Q505 VanDerWaalsContact C-N 3.33Å; F503-Q505 PolarHBondContact O-N 2.89Å; F503-A506 PolarHBondContact O-N 2.94Å; F503-A507 WeakPolarHBondContact O-CB 3.36Å; F503-A507 PolarHBondContact O-N 2.84Å
504L91.4Very high84.1Confident6 Ų686.1 Ų86.13%0.03143%0.43CS..Hα-helixtrans-63.5-38.8176.7-68173.1000112.1L16 E20 E23 A24 L27 A500 S501 A507 R508L16-L504 HydrophobicContact CD2-CD1 4.45Å; E20-L504 HydrophobicContact CB-CD1 3.69Å; E20-L504 HydrophobicContact CG-CD1 4.12Å; E20-L504 WeakPolarHBondContact O-CD1 3.44Å; E23-L504 HydrophobicContact CB-CD2 4.03Å; A24-L504 HydrophobicContact CB-CD1 4.38Å; A24-L504 HydrophobicContact CB-CD2 4.21Å; L27-L504 HydrophobicContact CD1-CD2 3.7Å; A500-L504 WeakPolarHBondContact O-CG 3.24Å; A500-L504 PolarHBondContact O-N 2.77Å; S501-L504 PolarHBondContact O-N 3.34Å; L504-A507 PolarHBondContact O-N 2.82Å; L504-R508 WeakPolarHBondContact O-CB 3.48Å; L504-R508 PolarHBondContact O-N 2.78Å
505Q90.4Very high85.4Confident82 Ų8284.3 Ų84.338%0.38343%0.43SS..Hα-helixtrans-61.7-43.9173.4-74.9169.917.500112S501 R502 F503 R508 Q509S501-Q505 WeakPolarHBondContact O-CB 3.47Å; S501-Q505 WeakPolarHBondContact O-CG 3.35Å; S501-Q505 PolarHBondContact O-N 3.09Å; R502-Q505 PolarHBondContact O-N 3.13Å; F503-Q505 VanDerWaalsContact C-N 3.33Å; F503-Q505 PolarHBondContact O-N 2.89Å; Q505-R508 PolarHBondContact O-N 3.33Å; Q505-Q509 WeakPolarHBondContact O-CB 3.35Å; Q505-Q509 WeakPolarHBondContact O-CG 3.41Å; Q505-Q509 PolarHBondContact O-N 2.89Å
506A92.3Very high86.8Confident53 Ų5380.6 Ų80.644%0.43841%0.411SS..Hα-helixtrans-64.2-43.317600000111.7R502 F503 R508 Q509 F510R502-A506 PolarHBondContact O-N 2.7Å; F503-A506 PolarHBondContact O-N 2.94Å; A506-R508 VanDerWaalsContact C-N 3.33Å; A506-R508 PolarHBondContact O-N 3.26Å; A506-Q509 PolarHBondContact O-N 3.09Å; A506-F510 PolarHBondContact O-N 3.5Å
507A91.8Very high88.3Confident29 Ų2976.1 Ų76.124%0.2439%0.391CS..Hα-helixtrans-60.8-4217500000111.8L27 F503 L504 F510 S511L27-A507 HydrophobicContact CD1-CB 4.18Å; F503-A507 WeakPolarHBondContact O-CB 3.36Å; F503-A507 PolarHBondContact O-N 2.84Å; L504-A507 PolarHBondContact O-N 2.82Å; A507-F510 PolarHBondContact O-N 3.49Å; A507-S511 PolarHBondContact O-N 3.24Å; A507-S511 PolarHBondContact O-OG 2.9Å
508R90.1Very high89.6Confident81 Ų8177.9 Ų77.931%0.30640%0.398SS..Hα-helixtrans-63.4-48.3176-166.2-174.2-61138.90.9111.2E23 L504 Q505 A506 F510 S511 D512E23-R508 IonicContact OE1-CZ 2.75Å; E23-R508 IonicContact OE1-NE 2.68Å; E23-R508 PolarHBondContact OE1-NE 2.99Å; E23-R508 IonicContact OE1-NH2 3.59Å; E23-R508 PolarHBondContact OE1-NH2 3.4Å; E23-R508 IonicContact OE2-CZ 2.82Å; E23-R508 IonicContact OE2-NE 2.75Å; E23-R508 IonicContact OE2-NH2 3.6Å; E23-R508 PolarHBondContact OE2-NH2 3.36Å; L504-R508 WeakPolarHBondContact O-CB 3.48Å; L504-R508 PolarHBondContact O-N 2.78Å; Q505-R508 PolarHBondContact O-N 3.33Å; A506-R508 VanDerWaalsContact C-N 3.33Å; A506-R508 PolarHBondContact O-N 3.26Å; R508-F510 VanDerWaalsContact C-N 3.28Å; R508-F510 PolarHBondContact O-N 3.34Å; R508-S511 WeakPolarHBondContact CA-OG 3.48Å; R508-S511 PolarHBondContact O-N 3.42Å; R508-S511 VanDerWaalsContact O-N 3.14Å; R508-S511 PolarHBondContact O-OG 2.73Å; R508-D512 WeakPolarHBondContact O-CB 3.21Å; R508-D512 PolarHBondContact O-N 2.99Å
509Q91.2Very high90.4Very high129 Ų12977.8 Ų77.860%0.60339%0.388SS*.Hα-helixtrans-57.3-41.6175.9-76176.6-3.100111.7Q505 A506 H513Q505-Q509 WeakPolarHBondContact O-CB 3.35Å; Q505-Q509 WeakPolarHBondContact O-CG 3.41Å; Q505-Q509 PolarHBondContact O-N 2.89Å; A506-Q509 PolarHBondContact O-N 3.09Å; Q509-H513 PolarHBondContact O-CE1 3.36Å; Q509-H513 PolarHBondContact O-ND1 3.06Å
510F91.1Very high90.7Very high131 Ų13172.4 Ų72.458%0.57536%0.363SS*.Hα-helixtrans-62.2-50.9173.8177.3-99000111.5A506 A507 R508 D512 H513 F514A506-F510 PolarHBondContact O-N 3.5Å; A507-F510 PolarHBondContact O-N 3.49Å; R508-F510 VanDerWaalsContact C-N 3.28Å; R508-F510 PolarHBondContact O-N 3.34Å; F510-D512 VanDerWaalsContact C-N 3.26Å; F510-D512 PolarHBondContact O-N 3.49Å; F510-H513 PolarHBondContact O-N 3.47Å; F510-H513 PolarHBondContact O-ND1 3.48Å; F510-F514 HydrophobicContact CD1-CE2 4.33Å; F510-F514 AromaticContact CE1-CE2 3.86Å; F510-F514 HydrophobicContact CE1-CE2 3.86Å; F510-F514 HydrophobicContact CE2-CE2 4.11Å; F510-F514 HydrophobicContact CE2-CZ 4.44Å; F510-F514 AromaticContact CZ-CE2 3.74Å; F510-F514 HydrophobicContact CZ-CE2 3.74Å; F510-F514 HydrophobicContact CZ-CZ 4.13Å; F510-F514 WeakPolarHBondContact O-CE2 3.39Å
511S89.2Confident91Very high38 Ų3875.2 Ų75.227%0.26637%0.369SS..Hα-helixtrans-63.1-30.9-178.967.90000113.7A507 R508 H513 F514A507-S511 PolarHBondContact O-N 3.24Å; A507-S511 PolarHBondContact O-OG 2.9Å; R508-S511 WeakPolarHBondContact CA-OG 3.48Å; R508-S511 PolarHBondContact O-N 3.42Å; R508-S511 VanDerWaalsContact O-N 3.14Å; R508-S511 PolarHBondContact O-OG 2.73Å; S511-H513 PolarHBondContact O-N 3.35Å; S511-H513 VanDerWaalsContact O-N 3.13Å; S511-F514 PolarHBondContact O-N 2.86Å
512D88.4Confident91.3Very high78 Ų7876.7 Ų76.742%0.41739%0.385SS..THydrogen-bonded Turntrans-64.3-16-179-78.2-26.5000113.5K424 R508 F510 F514K424-D512 IonicContact NZ-OD1 2.81Å; K424-D512 PolarHBondContact NZ-OD1 3.31Å; K424-D512 IonicContact NZ-OD2 3.93Å; K424-D512 PolarHBondContact NZ-OD2 3.46Å; R508-D512 WeakPolarHBondContact O-CB 3.21Å; R508-D512 PolarHBondContact O-N 2.99Å; F510-D512 VanDerWaalsContact C-N 3.26Å; F510-D512 PolarHBondContact O-N 3.49Å; D512-F514 VanDerWaalsContact C-N 3.25Å; D512-F514 PolarHBondContact O-N 3.33Å
513H90Very high91.2Very high153 Ų15371.3 Ų71.371%0.70837%0.368SS*.THydrogen-bonded Turntrans-76-13.4175.3-67.685.6000113.3Q509 F510 S511Q509-H513 PolarHBondContact O-CE1 3.36Å; Q509-H513 PolarHBondContact O-ND1 3.06Å; F510-H513 PolarHBondContact O-N 3.47Å; F510-H513 PolarHBondContact O-ND1 3.48Å; S511-H513 PolarHBondContact O-N 3.35Å; S511-H513 VanDerWaalsContact O-N 3.13Å
514F91.8Very high90.9Very high91 Ų9167.4 Ų67.440%0.39936%0.356SS..SBendtrans-115141.1-174.7-54.5-79.1000110.6F510 S511 D512 Q518 F519F510-F514 HydrophobicContact CD1-CE2 4.33Å; F510-F514 AromaticContact CE1-CE2 3.86Å; F510-F514 HydrophobicContact CE1-CE2 3.86Å; F510-F514 HydrophobicContact CE2-CE2 4.11Å; F510-F514 HydrophobicContact CE2-CZ 4.44Å; F510-F514 AromaticContact CZ-CE2 3.74Å; F510-F514 HydrophobicContact CZ-CE2 3.74Å; F510-F514 HydrophobicContact CZ-CZ 4.13Å; F510-F514 WeakPolarHBondContact O-CE2 3.39Å; S511-F514 PolarHBondContact O-N 2.86Å; D512-F514 VanDerWaalsContact C-N 3.25Å; D512-F514 PolarHBondContact O-N 3.33Å; F514-Q518 HydrophobicContact CB-CB 4.32Å; F514-F519 HydrophobicContact CB-CB 4.26Å; F514-F519 HydrophobicContact CD2-CD2 4.49Å
515S91.1Very high90.7Very high50 Ų5071.2 Ų71.235%0.3538%0.382SS..  trans-64.5155.5162.664.70000110.4V517 Q518 F519S515-V517 PolarHBondContact O-N 3.18Å; S515-Q518 PolarHBondContact O-N 3Å; S515-Q518 VanDerWaalsContact O-N 3.1Å; S515-Q518 WeakPolarHBondContact OG-CB 3.44Å; S515-Q518 VanDerWaalsContact OG-CD 3.25Å; S515-Q518 VanDerWaalsContact OG-CG 3.24Å; S515-Q518 WeakPolarHBondContact OG-CG 3.32Å; S515-Q518 PolarHBondContact OG-N 3.04Å; S515-Q518 PolarHBondContact OG-OE1 3.19Å; S515-F519 PolarHBondContact O-N 3.28Å
516G90.2Very high90.6Very high27 Ų2772.2 Ų72.228%0.27839%0.393SS..Hα-helixtrans-55.2-36.8178.800000113.3H385 V520H385-G516 PolarHBondContact ND1-O 2.81Å; G516-V520 VanDerWaalsContact O-CG2 3.31Å; G516-V520 WeakPolarHBondContact O-CG2 3.36Å; G516-V520 PolarHBondContact O-N 2.89Å; G516-V520 VanDerWaalsContact O-N 3.08Å
517V93.8Very high90.2Very high17 Ų1771.5 Ų71.510%0.10338%0.383CS..Hα-helixtrans-66.4-50175.5176.50000111.7Y370 V382 H385 S515 F519 V520 Y521Y370-V517 HydrophobicContact CE1-CG2 3.63Å; V382-V517 HydrophobicContact CB-CG2 3.74Å; V382-V517 HydrophobicContact CG1-CG2 3.81Å; H385-V517 HydrophobicContact CB-CG2 3.96Å; S515-V517 PolarHBondContact O-N 3.18Å; V517-F519 VanDerWaalsContact C-N 3.26Å; V517-F519 PolarHBondContact O-N 2.94Å; V517-V520 PolarHBondContact O-N 3.49Å; V517-Y521 HydrophobicContact CG1-CD1 4.33Å; V517-Y521 HydrophobicContact CG1-CD2 3.85Å; V517-Y521 HydrophobicContact CG1-CE1 3.9Å; V517-Y521 HydrophobicContact CG1-CE2 3.4Å; V517-Y521 VanDerWaalsContact CG1-CE2 3.4Å; V517-Y521 HydrophobicContact CG1-CG 4.3Å; V517-Y521 VanDerWaalsContact CG1-CZ 3.43Å; V517-Y521 WeakPolarHBondContact O-CB 3.36Å; V517-Y521 PolarHBondContact O-N 2.69Å
518Q94.2Very high89.7Confident111 Ų11173.4 Ų73.452%0.51939%0.389SS..Hα-helixtrans-59.2-40.4177.8-75.1165.5-39.400111.6F514 S515 Y521 G522F514-Q518 HydrophobicContact CB-CB 4.32Å; S515-Q518 PolarHBondContact O-N 3Å; S515-Q518 VanDerWaalsContact O-N 3.1Å; S515-Q518 WeakPolarHBondContact OG-CB 3.44Å; S515-Q518 VanDerWaalsContact OG-CD 3.25Å; S515-Q518 VanDerWaalsContact OG-CG 3.24Å; S515-Q518 WeakPolarHBondContact OG-CG 3.32Å; S515-Q518 PolarHBondContact OG-N 3.04Å; S515-Q518 PolarHBondContact OG-OE1 3.19Å; Q518-Y521 PolarHBondContact O-N 3.1Å; Q518-G522 PolarHBondContact O-N 3.34Å
519F91.9Very high89.4Confident69 Ų6971.5 Ų71.530%0.30339%0.391SS..Hα-helixtrans-62.7-48.1178.1-170.5-101.5000111.6M30 F514 S515 V517 G522 I523M30-F519 HydrophobicContact SD-CE1 4.37Å; F514-F519 HydrophobicContact CB-CB 4.26Å; F514-F519 HydrophobicContact CD2-CD2 4.49Å; S515-F519 PolarHBondContact O-N 3.28Å; V517-F519 VanDerWaalsContact C-N 3.26Å; V517-F519 PolarHBondContact O-N 2.94Å; F519-G522 PolarHBondContact O-N 3Å; F519-I523 HydrophobicContact CD1-CD1 3.75Å; F519-I523 HydrophobicContact CE1-CD1 3.25Å; F519-I523 HydrophobicContact CE1-CG1 4.41Å; F519-I523 HydrophobicContact CE2-CD1 4.41Å; F519-I523 HydrophobicContact CZ-CD1 3.64Å; F519-I523 WeakPolarHBondContact O-CG1 3.45Å; F519-I523 PolarHBondContact O-N 3.43Å
520V91.8Very high88.6Confident34 Ų3468.6 Ų68.621%0.20638%0.383CS..Hα-helixtrans-65.1-42.1178.3171.40000111.8P384 H385 G516 V517 I523 T524P384-V520 HydrophobicContact CG-CG1 3.75Å; H385-V520 HydrophobicContact CB-CB 4.26Å; H385-V520 HydrophobicContact CB-CG2 4.12Å; G516-V520 VanDerWaalsContact O-CG2 3.31Å; G516-V520 WeakPolarHBondContact O-CG2 3.36Å; G516-V520 PolarHBondContact O-N 2.89Å; G516-V520 VanDerWaalsContact O-N 3.08Å; V517-V520 PolarHBondContact O-N 3.49Å; V520-I523 PolarHBondContact O-N 2.96Å; V520-T524 VanDerWaalsContact O-CB 3.31Å; V520-T524 WeakPolarHBondContact O-CB 3.28Å; V520-T524 PolarHBondContact O-N 3.3Å; V520-T524 PolarHBondContact O-OG1 2.82Å
521Y92.9Very high87.8Confident87 Ų8764.9 Ų64.934%0.34137%0.371SS..Hα-helixtrans-63.5-43.2175.9-70.2-1.4000111.4I381 E383 V517 Q518 T524 C525I381-Y521 PolarHBondContact O-OH 3.43Å; E383-Y521 VanDerWaalsContact O-CE1 3.23Å; E383-Y521 WeakPolarHBondContact O-CE1 3.41Å; E383-Y521 PolarHBondContact O-OH 3.3Å; V517-Y521 HydrophobicContact CG1-CD1 4.33Å; V517-Y521 HydrophobicContact CG1-CD2 3.85Å; V517-Y521 HydrophobicContact CG1-CE1 3.9Å; V517-Y521 HydrophobicContact CG1-CE2 3.4Å; V517-Y521 VanDerWaalsContact CG1-CE2 3.4Å; V517-Y521 HydrophobicContact CG1-CG 4.3Å; V517-Y521 VanDerWaalsContact CG1-CZ 3.43Å; V517-Y521 WeakPolarHBondContact O-CB 3.36Å; V517-Y521 PolarHBondContact O-N 2.69Å; Q518-Y521 PolarHBondContact O-N 3.1Å; Y521-T524 PolarHBondContact O-N 3.13Å; Y521-C525 WeakPolarHBondContact O-CB 3.48Å; Y521-C525 PolarHBondContact O-N 3.26Å; Y521-C525 PolarHBondContact O-SG 3.22Å
522G91.6Very high87.1Confident35 Ų3567.5 Ų67.536%0.36138%0.382SS..Hα-helixtrans-55.9-53.3175.500000111.7Q518 F519 T524 C525 T526Q518-G522 PolarHBondContact O-N 3.34Å; F519-G522 PolarHBondContact O-N 3Å; G522-T524 PolarHBondContact O-N 3.15Å; G522-C525 PolarHBondContact O-N 3.44Å; G522-T526 WeakPolarHBondContact O-CB 3.36Å; G522-T526 PolarHBondContact O-N 3.21Å; G522-T526 PolarHBondContact O-OG1 3.37Å
523I87.8Confident86.7Confident62 Ų6267.3 Ų67.332%0.31838%0.383SS..Hα-helixtrans-60.2-46.5177.8-69.3173.6000111.3M30 F519 V520 C525 T526 V527M30-I523 HydrophobicContact SD-CD1 3.69Å; F519-I523 HydrophobicContact CD1-CD1 3.75Å; F519-I523 HydrophobicContact CE1-CD1 3.25Å; F519-I523 HydrophobicContact CE1-CG1 4.41Å; F519-I523 HydrophobicContact CE2-CD1 4.41Å; F519-I523 HydrophobicContact CZ-CD1 3.64Å; F519-I523 WeakPolarHBondContact O-CG1 3.45Å; F519-I523 PolarHBondContact O-N 3.43Å; V520-I523 PolarHBondContact O-N 2.96Å; I523-C525 VanDerWaalsContact C-N 3.33Å; I523-C525 PolarHBondContact O-N 2.79Å; I523-T526 PolarHBondContact O-N 3.22Å; I523-V527 HydrophobicContact CG2-CG2 4.21Å; I523-V527 WeakPolarHBondContact O-CB 3.2Å; I523-V527 VanDerWaalsContact O-CG2 3.31Å; I523-V527 WeakPolarHBondContact O-CG2 3.42Å; I523-V527 PolarHBondContact O-N 3.07Å
524T86Confident85.9Confident53 Ų5363.5 Ų63.533%0.32537%0.372SS..Hα-helixtrans-59.7-46.1-178.9-57.30000110.8V520 Y521 G522 V527 L528V520-T524 VanDerWaalsContact O-CB 3.31Å; V520-T524 WeakPolarHBondContact O-CB 3.28Å; V520-T524 PolarHBondContact O-N 3.3Å; V520-T524 PolarHBondContact O-OG1 2.82Å; Y521-T524 PolarHBondContact O-N 3.13Å; G522-T524 PolarHBondContact O-N 3.15Å; T524-V527 PolarHBondContact O-N 3.24Å; T524-L528 HydrophobicContact CG2-CD1 3.82Å; T524-L528 HydrophobicContact CG2-CG 4.42Å; T524-L528 WeakPolarHBondContact O-CB 3.45Å; T524-L528 VanDerWaalsContact O-CG 3.26Å; T524-L528 WeakPolarHBondContact O-CG 3.38Å; T524-L528 PolarHBondContact O-N 3.01Å
525C87.8Confident85.1Confident85 Ų8565.6 Ų65.657%0.57438%0.381SS*.Hα-helixtrans-62.5-44.9175.5-72.70000112.2Y521 G522 I523 V527 L528 A529Y521-C525 WeakPolarHBondContact O-CB 3.48Å; Y521-C525 PolarHBondContact O-N 3.26Å; Y521-C525 PolarHBondContact O-SG 3.22Å; G522-C525 PolarHBondContact O-N 3.44Å; I523-C525 VanDerWaalsContact C-N 3.33Å; I523-C525 PolarHBondContact O-N 2.79Å; C525-V527 VanDerWaalsContact C-N 3.33Å; C525-V527 PolarHBondContact O-N 2.87Å; C525-L528 PolarHBondContact O-N 3.34Å; C525-A529 VanDerWaalsContact O-CB 3.24Å; C525-A529 WeakPolarHBondContact O-CB 3.42Å; C525-A529 PolarHBondContact O-N 3.39Å
526T87.3Confident84.4Confident103 Ų10367.3 Ų67.363%0.63239%0.389SS*.Hα-helixtrans-61-41.8178.4-61.40000112G522 I523 P530G522-T526 WeakPolarHBondContact O-CB 3.36Å; G522-T526 PolarHBondContact O-N 3.21Å; G522-T526 PolarHBondContact O-OG1 3.37Å; I523-T526 PolarHBondContact O-N 3.22Å; T526-P530 WeakPolarHBondContact O-CD 3.46Å
527V83.4Confident83.8Confident38 Ų3871.1 Ų71.123%0.2340%0.402CS..Hα-helixtrans-71.3-40.9179.8172.90000111F37 I523 T524 C525 P530F37-V527 HydrophobicContact CB-CG1 3.93Å; F37-V527 HydrophobicContact CD1-CG1 3.29Å; F37-V527 VanDerWaalsContact CD1-O 3.26Å; F37-V527 WeakPolarHBondContact CD1-O 3.19Å; F37-V527 HydrophobicContact CD2-CG1 3.87Å; F37-V527 HydrophobicContact CE1-CG1 3.65Å; F37-V527 WeakPolarHBondContact CE1-O 3.08Å; F37-V527 HydrophobicContact CE2-CG1 4.19Å; F37-V527 HydrophobicContact CG-CG1 3.4Å; F37-V527 HydrophobicContact CZ-CG1 4.1Å; I523-V527 HydrophobicContact CG2-CG2 4.21Å; I523-V527 WeakPolarHBondContact O-CB 3.2Å; I523-V527 VanDerWaalsContact O-CG2 3.31Å; I523-V527 WeakPolarHBondContact O-CG2 3.42Å; I523-V527 PolarHBondContact O-N 3.07Å; T524-V527 PolarHBondContact O-N 3.24Å; C525-V527 VanDerWaalsContact C-N 3.33Å; C525-V527 PolarHBondContact O-N 2.87Å; V527-P530 WeakPolarHBondContact O-CD 3.39Å
528L81.8Confident82.7Confident69 Ų6973.1 Ų73.136%0.36142%0.417SS..Hα-helixtrans-77.7-28.2-178.1-68.2178.5000114.1F37 T524 C525 V531 L532F37-L528 HydrophobicContact CE1-CD2 4.48Å; F37-L528 HydrophobicContact CZ-CD2 3.81Å; T524-L528 HydrophobicContact CG2-CD1 3.82Å; T524-L528 HydrophobicContact CG2-CG 4.42Å; T524-L528 WeakPolarHBondContact O-CB 3.45Å; T524-L528 VanDerWaalsContact O-CG 3.26Å; T524-L528 WeakPolarHBondContact O-CG 3.38Å; T524-L528 PolarHBondContact O-N 3.01Å; C525-L528 PolarHBondContact O-N 3.34Å; L528-V531 PolarHBondContact O-N 3.27Å; L528-L532 HydrophobicContact CB-CD1 4.04Å; L528-L532 PolarHBondContact O-N 3.46Å
529A83.1Confident81.2Confident41 Ų4175.6 Ų75.634%0.33943%0.426SS..Hα-helixtrans-55.6-46.8-175.100000113.8C525 V531 L532 V533C525-A529 VanDerWaalsContact O-CB 3.24Å; C525-A529 WeakPolarHBondContact O-CB 3.42Å; C525-A529 PolarHBondContact O-N 3.39Å; A529-V531 PolarHBondContact O-N 3.47Å; A529-V531 VanDerWaalsContact O-N 3.13Å; A529-L532 PolarHBondContact O-N 2.89Å; A529-V533 HydrophobicContact CB-CG2 4.28Å; A529-V533 VanDerWaalsContact O-CB 3.24Å; A529-V533 WeakPolarHBondContact O-CB 3.11Å; A529-V533 VanDerWaalsContact O-CG2 3.23Å; A529-V533 WeakPolarHBondContact O-CG2 3.28Å; A529-V533 PolarHBondContact O-N 2.96Å
530P75.7Confident79.4Confident68 Ų6880 Ų8044%0.44245%0.445SS..Hα-helixtrans-59.8-24.9176.7-25.134000114.5T526 V527 P534T526-P530 WeakPolarHBondContact O-CD 3.46Å; V527-P530 WeakPolarHBondContact O-CD 3.39Å; P530-P534 WeakPolarHBondContact O-CD 3.22Å; P530-P534 VanDerWaalsContact O-CG 3.3Å; P530-P534 WeakPolarHBondContact O-CG 3.49Å
531V73.2Confident77.6Confident54 Ų5482.1 Ų82.133%0.32747%0.466SS..Hα-helixtrans-89.3-37.8179.9174.10000111.8F37 L528 A529F37-V531 HydrophobicContact CD1-CG2 4.21Å; F37-V531 HydrophobicContact CE1-CB 4.24Å; F37-V531 HydrophobicContact CE1-CG2 3.37Å; F37-V531 HydrophobicContact CZ-CG2 3.92Å; L528-V531 PolarHBondContact O-N 3.27Å; A529-V531 PolarHBondContact O-N 3.47Å; A529-V531 VanDerWaalsContact O-N 3.13Å
532L75.6Confident75.5Confident92 Ų9286.2 Ų86.248%0.48249%0.488SS..Hα-helixtrans-86.1-41.1-175.4-64.7178.7000112.7L528 A529 K535 V536L528-L532 HydrophobicContact CB-CD1 4.04Å; L528-L532 PolarHBondContact O-N 3.46Å; A529-L532 PolarHBondContact O-N 2.89Å; L532-K535 PolarHBondContact O-N 3Å; L532-K535 VanDerWaalsContact O-N 3.16Å; L532-V536 WeakPolarHBondContact O-CG2 3.27Å; L532-V536 PolarHBondContact O-N 3.25Å
533V78.8Confident73.2Confident75 Ų7593.2 Ų93.246%0.45552%0.524SS..Hα-helixtrans-60.6-47.6-173.9172.10000112.1A529 K535 V536 I537A529-V533 HydrophobicContact CB-CG2 4.28Å; A529-V533 VanDerWaalsContact O-CB 3.24Å; A529-V533 WeakPolarHBondContact O-CB 3.11Å; A529-V533 VanDerWaalsContact O-CG2 3.23Å; A529-V533 WeakPolarHBondContact O-CG2 3.28Å; A529-V533 PolarHBondContact O-N 2.96Å; V533-K535 VanDerWaalsContact C-N 3.31Å; V533-K535 PolarHBondContact O-N 3.29Å; V533-V536 PolarHBondContact O-N 2.92Å; V533-I537 HydrophobicContact CG1-CD1 3.55Å; V533-I537 HydrophobicContact CG1-CG1 4.25Å; V533-I537 WeakPolarHBondContact O-CG1 3.2Å; V533-I537 PolarHBondContact O-N 3.47Å
534P74.4Confident72.4Confident73 Ų7394.8 Ų94.847%0.47453%0.534SS..Hα-helixtrans-63.3-33.9176.8-23.735.7000113.4P530 V536 S538P530-P534 WeakPolarHBondContact O-CD 3.22Å; P530-P534 VanDerWaalsContact O-CG 3.3Å; P530-P534 WeakPolarHBondContact O-CG 3.49Å; P534-V536 VanDerWaalsContact C-N 3.34Å; P534-S538 VanDerWaalsContact O-CB 3.27Å; P534-S538 WeakPolarHBondContact O-CB 3.3Å; P534-S538 PolarHBondContact O-N 2.98Å; P534-S538 PolarHBondContact O-OG 3.07Å
535K75.3Confident71.7Confident135 Ų13597 Ų9759%0.58755%0.545SS*.Hα-helixtrans-68.3-32.9176.6-73.5-176.6177.1-178.80112.4L532 V533 S538 K539L532-K535 PolarHBondContact O-N 3Å; L532-K535 VanDerWaalsContact O-N 3.16Å; V533-K535 VanDerWaalsContact C-N 3.31Å; V533-K535 PolarHBondContact O-N 3.29Å; K535-S538 WeakPolarHBondContact CA-OG 3.37Å; K535-S538 PolarHBondContact O-OG 2.93Å; K535-K539 WeakPolarHBondContact O-CG 3.39Å; K535-K539 PolarHBondContact O-N 2.97Å
536V75.4Confident70.8Confident86 Ų8697.7 Ų97.752%0.52154%0.543SS..Hα-helixtrans-75.8-43.8175.6175.10000111L532 V533 P534 K539 K540L532-V536 WeakPolarHBondContact O-CG2 3.27Å; L532-V536 PolarHBondContact O-N 3.25Å; V533-V536 PolarHBondContact O-N 2.92Å; P534-V536 VanDerWaalsContact C-N 3.34Å; V536-K539 PolarHBondContact O-N 3.41Å; V536-K540 PolarHBondContact O-N 3.17Å
537I77.4Confident69.9Low106 Ų10697.4 Ų97.454%0.54454%0.538SS..Hα-helixtrans-66.8-44.2179.3-64.6172.1000111.1V533 K539 K540 A541V533-I537 HydrophobicContact CG1-CD1 3.55Å; V533-I537 HydrophobicContact CG1-CG1 4.25Å; V533-I537 WeakPolarHBondContact O-CG1 3.2Å; V533-I537 PolarHBondContact O-N 3.47Å; I537-K539 VanDerWaalsContact C-N 3.31Å; I537-K539 PolarHBondContact O-N 3.37Å; I537-K540 PolarHBondContact O-N 3Å; I537-A541 PolarHBondContact O-N 3.35Å; I537-A541 VanDerWaalsContact O-N 3.09Å
538S71.7Confident69Low59 Ų59101.1 Ų101.141%0.41356%0.557SS.*Hα-helixtrans-62.9-35.6176.753.30000112.9P534 K535 K540 A541 H542P534-S538 VanDerWaalsContact O-CB 3.27Å; P534-S538 WeakPolarHBondContact O-CB 3.3Å; P534-S538 PolarHBondContact O-N 2.98Å; P534-S538 PolarHBondContact O-OG 3.07Å; K535-S538 WeakPolarHBondContact CA-OG 3.37Å; K535-S538 PolarHBondContact O-OG 2.93Å; S538-K540 VanDerWaalsContact C-N 3.32Å; S538-K540 PolarHBondContact O-N 3.17Å; S538-A541 PolarHBondContact O-N 3.24Å; S538-H542 PolarHBondContact O-CD2 3.21Å
539K61.8Low68.1Low164 Ų164103.2 Ų103.271%0.71357%0.57SS**Hα-helixtrans-64.6-34.5171.8-83.5-171.8174.4-170.20112.8K535 V536 I537 H542K535-K539 WeakPolarHBondContact O-CG 3.39Å; K535-K539 PolarHBondContact O-N 2.97Å; V536-K539 PolarHBondContact O-N 3.41Å; I537-K539 VanDerWaalsContact C-N 3.31Å; I537-K539 PolarHBondContact O-N 3.37Å; K539-H542 PolarHBondContact O-N 2.75Å
540K54.6Low67.1Low161 Ų161107.6 Ų107.670%0.759%0.587SS**Hα-helixtrans-75.4-21.2176.1-79.7-170173.9-1730114V536 I537 S538 H542V536-K540 PolarHBondContact O-N 3.17Å; I537-K540 PolarHBondContact O-N 3Å; S538-K540 VanDerWaalsContact C-N 3.32Å; S538-K540 PolarHBondContact O-N 3.17Å; K540-H542 PolarHBondContact O-N 2.68Å
541A54.8Low66.4Low79 Ų79110.7 Ų110.765%0.65360%0.598SS**THydrogen-bonded Turntrans-78.9-8.2174.600000113.4I537 S538I537-A541 PolarHBondContact O-N 3.35Å; I537-A541 VanDerWaalsContact O-N 3.09Å; S538-A541 PolarHBondContact O-N 3.24Å
542H47.4Very low65.9Low172 Ų172115.4 Ų115.480%0.79662%0.62SS**THydrogen-bonded Turntrans-1097.3177.2-73.6-58.6000113.7S538 K539 K540S538-H542 PolarHBondContact O-CD2 3.21Å; K539-H542 PolarHBondContact O-N 2.75Å; K540-H542 PolarHBondContact O-N 2.68Å
543V43.2Very low65Low183 Ų183117.5 Ų117.5100%1.10963%0.633SS**  trans-111.30167.8-177.30000106.9

Retrieved 543 of 543 residues in 2237.4 ms (Link to these results)

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