A0A3Q0KBV0_SCHMA Loading...

2-hydroxyacyl-CoA lyase 2

AlphaFold DB , UniProt , Accession A0A3Q0KBV0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 651 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
1M42.9Very low53.8Low235 Ų235111.3 Ų111.3100%1.15865%0.647SS**  0-8.10-84.9178.9173.600115.4
2S49.4Very low54.4Low97 Ų97113.2 Ų113.268%0.67864%0.642SS**  trans-78.8-21.8-177.3-172.30000116.3
3F46.4Very low55.1Low185 Ų185107 Ų10781%0.81162%0.619SS**Hα-helixtrans-80.2-23.3-173.4-90-85.7000114.7T6 G7F3-T6 PolarHBondContact O-OG1 3.15Å; F3-G7 PolarHBondContact O-N 3.08Å
4L49.6Very low55.7Low146 Ų146105.3 Ų105.376%0.76461%0.606SS**Hα-helixtrans-74-29.2178.3-82.8154.2000112.3S8L4-S8 PolarHBondContact O-N 3Å
5A52.6Low56.1Low64 Ų64105.9 Ų105.953%0.52960%0.599SS.*Hα-helixtrans-72-38.3179.600000113.1L9A5-L9 PolarHBondContact O-N 3.17Å
6T55.5Low56Low73 Ų73107 Ų10745%0.44860%0.595SS.*Hα-helixtrans-72.8-38.7178.136.30000112.6F3 S8 L9 I10F3-T6 PolarHBondContact O-OG1 3.15Å; T6-S8 PolarHBondContact O-N 3.19Å; T6-L9 PolarHBondContact O-N 2.8Å; T6-I10 WeakPolarHBondContact O-CG1 3.28Å; T6-I10 PolarHBondContact O-N 2.9Å
7G50Low56.2Low41 Ų41106.6 Ų106.642%0.42359%0.591SS.*Hα-helixtrans-60.7-43.2175.400000112.6F3 I10 A11F3-G7 PolarHBondContact O-N 3.08Å; G7-I10 PolarHBondContact O-N 3.22Å; G7-A11 VanDerWaalsContact O-CB 3.27Å; G7-A11 WeakPolarHBondContact O-CB 3.38Å; G7-A11 PolarHBondContact O-N 3.47Å
8S61.8Low56.1Low82 Ų82107.9 Ų107.957%0.57359%0.589SS**Hα-helixtrans-63.5-40.4174.9-84.20000112.6L4 T6 A11 F12L4-S8 PolarHBondContact O-N 3Å; T6-S8 PolarHBondContact O-N 3.19Å; S8-A11 PolarHBondContact O-N 3.36Å; S8-F12 VanDerWaalsContact O-CB 3.27Å; S8-F12 WeakPolarHBondContact O-CB 3.43Å; S8-F12 PolarHBondContact O-N 2.8Å
9L57.7Low55.7Low133 Ų133108.8 Ų108.870%0.69659%0.587SS**Hα-helixtrans-65.5-41.8178.1-102.4150.3000113.1A5 T6 F12 G13A5-L9 PolarHBondContact O-N 3.17Å; T6-L9 PolarHBondContact O-N 2.8Å; L9-F12 PolarHBondContact O-N 3.45Å; L9-G13 PolarHBondContact O-N 3.03Å
10I65.9Low55.5Low111 Ų111104.8 Ų104.857%0.56957%0.573SS**Hα-helixtrans-68.9-43.1176.8-65.2169.6000110.4T6 G7 F12 G13 L14T6-I10 WeakPolarHBondContact O-CG1 3.28Å; T6-I10 PolarHBondContact O-N 2.9Å; G7-I10 PolarHBondContact O-N 3.22Å; I10-F12 VanDerWaalsContact C-N 3.32Å; I10-F12 PolarHBondContact O-N 3.48Å; I10-G13 PolarHBondContact O-N 2.97Å; I10-L14 HydrophobicContact CG2-CD1 3.92Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CB 3.43Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 2.88Å
11A60.5Low55.3Low57 Ų57103 Ų10347%0.47156%0.562SS.*Hα-helixtrans-64.2-36.8175.100000111.8G7 S8 F15G7-A11 VanDerWaalsContact O-CB 3.27Å; G7-A11 WeakPolarHBondContact O-CB 3.38Å; G7-A11 PolarHBondContact O-N 3.47Å; S8-A11 PolarHBondContact O-N 3.36Å; A11-F15 WeakPolarHBondContact O-CB 3.48Å; A11-F15 PolarHBondContact O-N 3.3Å
12F60.4Low55.5Low134 Ų134101.9 Ų101.959%0.58855%0.545SS*.Hα-helixtrans-65.9-46.8173.3-133.7-109.6000111S8 L9 I10 F15 F16S8-F12 VanDerWaalsContact O-CB 3.27Å; S8-F12 WeakPolarHBondContact O-CB 3.43Å; S8-F12 PolarHBondContact O-N 2.8Å; L9-F12 PolarHBondContact O-N 3.45Å; I10-F12 VanDerWaalsContact C-N 3.32Å; I10-F12 PolarHBondContact O-N 3.48Å; F12-F15 PolarHBondContact O-N 3Å; F12-F16 AromaticContact CD1-CD2 3.9Å; F12-F16 HydrophobicContact CD1-CD2 3.9Å; F12-F16 AromaticContact CD1-CE2 3.63Å; F12-F16 HydrophobicContact CD1-CE2 3.63Å; F12-F16 HydrophobicContact CE1-CD2 4.2Å; F12-F16 AromaticContact CE1-CE2 3.45Å; F12-F16 HydrophobicContact CE1-CE2 3.45Å; F12-F16 VanDerWaalsContact CE1-CE2 3.45Å; F12-F16 HydrophobicContact CE1-CZ 4.37Å; F12-F16 HydrophobicContact CZ-CE2 4.19Å; F12-F16 WeakPolarHBondContact O-CD2 3.34Å; F12-F16 PolarHBondContact O-N 2.61Å
13G64Low55.2Low33 Ų33106.2 Ų106.234%0.3455%0.546SS..Hα-helixtrans-59-4817600000112L9 I10 F16 I17L9-G13 PolarHBondContact O-N 3.03Å; I10-G13 PolarHBondContact O-N 2.97Å; G13-F16 PolarHBondContact O-N 3.12Å; G13-I17 WeakPolarHBondContact O-CB 3.4Å; G13-I17 WeakPolarHBondContact O-CD1 3.28Å; G13-I17 WeakPolarHBondContact O-CG1 3.08Å; G13-I17 PolarHBondContact O-N 3.36Å
14L63Low55.2Low83 Ų8399.3 Ų99.344%0.43552%0.517SS..Hα-helixtrans-62.4-42.1174-76169.9000111.6I10 F16 I17 F18I10-L14 HydrophobicContact CG2-CD1 3.92Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CB 3.43Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 2.88Å; L14-F16 VanDerWaalsContact C-N 3.34Å; L14-F16 PolarHBondContact O-N 2.97Å; L14-I17 CarbonylContact O-C 3.55Å; L14-I17 PolarHBondContact O-N 3.17Å; L14-F18 HydrophobicContact CB-CD2 4.29Å; L14-F18 HydrophobicContact CD2-CE2 4.22Å; L14-F18 VanDerWaalsContact O-CB 3.28Å; L14-F18 WeakPolarHBondContact O-CB 3.27Å; L14-F18 WeakPolarHBondContact O-CD2 3.34Å; L14-F18 PolarHBondContact O-N 2.76Å
15F61.4Low55.3Low115 Ų115101.1 Ų101.150%0.50452%0.519SS..Hα-helixtrans-61.4-40.6177.1179.3-98.7000111.9A11 F12 K19A11-F15 WeakPolarHBondContact O-CB 3.48Å; A11-F15 PolarHBondContact O-N 3.3Å; F12-F15 PolarHBondContact O-N 3Å; F15-K19 HydrophobicContact CE1-CD 4.08Å; F15-K19 HydrophobicContact CZ-CD 4.34Å; F15-K19 WeakPolarHBondContact O-CB 3.41Å; F15-K19 PolarHBondContact O-N 3.13Å
16F55.6Low55.5Low123 Ų123108.5 Ų108.554%0.53953%0.533SS..Hα-helixtrans-70.9-37.9174.4-86.8-85.7000112.8F12 G13 L14 K19 G20F12-F16 AromaticContact CD1-CD2 3.9Å; F12-F16 HydrophobicContact CD1-CD2 3.9Å; F12-F16 AromaticContact CD1-CE2 3.63Å; F12-F16 HydrophobicContact CD1-CE2 3.63Å; F12-F16 HydrophobicContact CE1-CD2 4.2Å; F12-F16 AromaticContact CE1-CE2 3.45Å; F12-F16 HydrophobicContact CE1-CE2 3.45Å; F12-F16 VanDerWaalsContact CE1-CE2 3.45Å; F12-F16 HydrophobicContact CE1-CZ 4.37Å; F12-F16 HydrophobicContact CZ-CE2 4.19Å; F12-F16 WeakPolarHBondContact O-CD2 3.34Å; F12-F16 PolarHBondContact O-N 2.61Å; G13-F16 PolarHBondContact O-N 3.12Å; L14-F16 VanDerWaalsContact C-N 3.34Å; L14-F16 PolarHBondContact O-N 2.97Å; F16-K19 PolarHBondContact O-N 3.11Å; F16-G20 PolarHBondContact O-N 3.3Å
17I59.2Low55.9Low100 Ų100108.1 Ų108.151%0.51353%0.525SS..Hα-helixtrans-62-46.8172.4-69.7164.1000110.1G13 L14 G20 L21G13-I17 WeakPolarHBondContact O-CB 3.4Å; G13-I17 WeakPolarHBondContact O-CD1 3.28Å; G13-I17 WeakPolarHBondContact O-CG1 3.08Å; G13-I17 PolarHBondContact O-N 3.36Å; L14-I17 CarbonylContact O-C 3.55Å; L14-I17 PolarHBondContact O-N 3.17Å; I17-G20 CarbonylContact O-C 3.53Å; I17-G20 PolarHBondContact O-N 3.07Å; I17-L21 HydrophobicContact CG2-CD1 3.68Å; I17-L21 HydrophobicContact CG2-CG 4.48Å; I17-L21 WeakPolarHBondContact O-CB 3.2Å; I17-L21 WeakPolarHBondContact O-CD1 3.3Å; I17-L21 VanDerWaalsContact O-CG 3.26Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 3.04Å
18F53.2Low57.1Low130 Ų130113.7 Ų113.757%0.5754%0.54SS*.Hα-helixtrans-68.8-37.3178-87.1-72.1000112.8L14 G20 L21 R22L14-F18 HydrophobicContact CB-CD2 4.29Å; L14-F18 HydrophobicContact CD2-CE2 4.22Å; L14-F18 VanDerWaalsContact O-CB 3.28Å; L14-F18 WeakPolarHBondContact O-CB 3.27Å; L14-F18 WeakPolarHBondContact O-CD2 3.34Å; L14-F18 PolarHBondContact O-N 2.76Å; F18-G20 VanDerWaalsContact C-N 3.34Å; F18-L21 HydrophobicContact CD1-CD1 4.28Å; F18-L21 CarbonylContact O-C 3.59Å; F18-L21 PolarHBondContact O-N 3.34Å; F18-R22 WeakPolarHBondContact O-CB 3.45Å; F18-R22 PolarHBondContact O-N 2.99Å
19K49.5Very low57.9Low125 Ų125111.6 Ų111.654%0.54352%0.522SS..Hα-helixtrans-69.8-34.7174.1-160179.4-174.51790111.2F15 F16 R23F15-K19 HydrophobicContact CE1-CD 4.08Å; F15-K19 HydrophobicContact CZ-CD 4.34Å; F15-K19 WeakPolarHBondContact O-CB 3.41Å; F15-K19 PolarHBondContact O-N 3.13Å; F16-K19 PolarHBondContact O-N 3.11Å; K19-R23 PolarHBondContact O-N 3.34Å
20G52Low59Low29 Ų29109.5 Ų109.530%0.29951%0.512SS..Hα-helixtrans-61.6-47.6166.800000112.1F16 I17 F18 R23 H24F16-G20 PolarHBondContact O-N 3.3Å; I17-G20 CarbonylContact O-C 3.53Å; I17-G20 PolarHBondContact O-N 3.07Å; F18-G20 VanDerWaalsContact C-N 3.34Å; G20-R23 WeakPolarHBondContact O-CB 3.44Å; G20-R23 PolarHBondContact O-N 3.46Å; G20-H24 PolarHBondContact O-N 3.19Å; G20-H24 VanDerWaalsContact O-N 3.13Å; G20-H24 PolarHBondContact O-ND1 3.22Å
21L49.9Very low59.9Low67 Ų67109.3 Ų109.335%0.35151%0.507SS..Hα-helixtrans-64.8-37.2177-77.4158.4000112.6I17 F18 R23 H24 F25I17-L21 HydrophobicContact CG2-CD1 3.68Å; I17-L21 HydrophobicContact CG2-CG 4.48Å; I17-L21 WeakPolarHBondContact O-CB 3.2Å; I17-L21 WeakPolarHBondContact O-CD1 3.3Å; I17-L21 VanDerWaalsContact O-CG 3.26Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 3.04Å; F18-L21 HydrophobicContact CD1-CD1 4.28Å; F18-L21 CarbonylContact O-C 3.59Å; F18-L21 PolarHBondContact O-N 3.34Å; L21-R23 PolarHBondContact O-N 3.08Å; L21-H24 WeakPolarHBondContact O-CA 3.28Å; L21-H24 VanDerWaalsContact O-CB 3.26Å; L21-H24 WeakPolarHBondContact O-CB 3.33Å; L21-H24 PolarHBondContact O-N 3.43Å; L21-F25 WeakPolarHBondContact O-CD2 3.44Å; L21-F25 PolarHBondContact O-N 3.26Å; L21-F25 VanDerWaalsContact O-N 3.1Å
22R47.2Very low61Low211 Ų211110.5 Ų110.580%0.79651%0.511SS*.Hα-helixtrans-65.7-29.7176.6-136.7179.3-174.11771.7112F18F18-R22 WeakPolarHBondContact O-CB 3.45Å; F18-R22 PolarHBondContact O-N 2.99Å
23R43.1Very low62.2Low188 Ų188105 Ų10571%0.70949%0.49SS*.Hα-helixtrans-67.9-42.2165.9-81-177.6173.3174.4-2110.7K19 G20 L21 F25 R26 F27K19-R23 PolarHBondContact O-N 3.34Å; G20-R23 WeakPolarHBondContact O-CB 3.44Å; G20-R23 PolarHBondContact O-N 3.46Å; L21-R23 PolarHBondContact O-N 3.08Å; R23-F25 VanDerWaalsContact C-N 3.3Å; R23-F25 PolarHBondContact O-N 3.4Å; R23-R26 PolarHBondContact O-N 2.9Å; R23-F27 HydrophobicContact CB-CE2 4.15Å; R23-F27 WeakPolarHBondContact O-CD2 3.38Å; R23-F27 WeakPolarHBondContact O-CE2 3.37Å
24H47.7Very low63.3Low41 Ų41106.2 Ų106.219%0.1950%0.502CS..Hα-helixtrans-58.6-33.2178.8-72.851.9000113.9G20 L21 R26 F27 F226 Y229 N230G20-H24 PolarHBondContact O-N 3.19Å; G20-H24 VanDerWaalsContact O-N 3.13Å; G20-H24 PolarHBondContact O-ND1 3.22Å; L21-H24 WeakPolarHBondContact O-CA 3.28Å; L21-H24 VanDerWaalsContact O-CB 3.26Å; L21-H24 WeakPolarHBondContact O-CB 3.33Å; L21-H24 PolarHBondContact O-N 3.43Å; H24-R26 PolarHBondContact O-N 2.91Å; H24-F27 PolarHBondContact O-N 3.35Å; H24-F226 AromaticContact CE1-CE2 3.83Å; H24-F226 AromaticContact NE2-CD2 3.92Å; H24-F226 AromaticContact NE2-CE2 3.14Å; H24-F226 WeakPolarHBondContact NE2-CE2 3.45Å; H24-F226 AromaticContact NE2-CZ 3.79Å; H24-Y229 HydrophobicContact CB-CE1 4.18Å; H24-Y229 AromaticContact CD2-CD1 3.49Å; H24-Y229 VanDerWaalsContact CD2-CD1 3.49Å; H24-Y229 WeakPolarHBondContact CD2-CD1 3.26Å; H24-Y229 AromaticContact CD2-CE1 3.12Å; H24-Y229 WeakPolarHBondContact CD2-CE1 3.39Å; H24-Y229 AromaticContact CG-CE1 3.78Å; H24-Y229 AromaticContact NE2-CD1 3.74Å; H24-Y229 AromaticContact NE2-CE1 3.71Å; H24-Y229 PolarHBondContact O-OH 3.03Å; H24-N230 PolarHBondContact NE2-OD1 2.76Å
25F51Low64.8Low183 Ų183105 Ų10580%0.80349%0.494SS*.THydrogen-bonded Turntrans-65.7-3.6179-77.4-75.7000115.7L21 R23L21-F25 WeakPolarHBondContact O-CD2 3.44Å; L21-F25 PolarHBondContact O-N 3.26Å; L21-F25 VanDerWaalsContact O-N 3.1Å; R23-F25 VanDerWaalsContact C-N 3.3Å; R23-F25 PolarHBondContact O-N 3.4Å
26R57.8Low66.5Low219 Ų219100.6 Ų100.683%0.82647%0.474SS*.THydrogen-bonded Turntrans-112.3-0.8175.1-75.4-170.3-178.7176.7-0.5114.9R23 H24R23-R26 PolarHBondContact O-N 2.9Å; H24-R26 PolarHBondContact O-N 2.91Å
27F64.1Low68.4Low65 Ų6594.8 Ų94.829%0.28545%0.448SS..  trans-103.8120.8-178.7-61.3-91.8000110.8R23 H24 Y229 A233 N234R23-F27 HydrophobicContact CB-CE2 4.15Å; R23-F27 WeakPolarHBondContact O-CD2 3.38Å; R23-F27 WeakPolarHBondContact O-CE2 3.37Å; H24-F27 PolarHBondContact O-N 3.35Å; F27-Y229 WeakPolarHBondContact CB-OH 3.16Å; F27-Y229 PolarHBondContact O-OH 2.78Å; F27-A233 HydrophobicContact CB-CB 3.69Å; F27-A233 HydrophobicContact CD1-CB 4.19Å; F27-A233 HydrophobicContact CG-CB 4.12Å; F27-N234 VanDerWaalsContact CA-OD1 3.31Å; F27-N234 WeakPolarHBondContact CA-OD1 3.26Å; F27-N234 HydrophobicContact CD1-CB 3.69Å; F27-N234 WeakPolarHBondContact CD1-ND2 3.15Å; F27-N234 HydrophobicContact CE1-CB 4.28Å; F27-N234 WeakPolarHBondContact CE1-ND2 3.45Å
28E73.3Confident70.2Confident158 Ų15890 Ų9074%0.73842%0.424SS*.  trans-94.8147.8176.3-68.9-178.2176.900110.1N234E28-N234 PolarHBondContact N-OD1 3.37Å; E28-N234 PolarHBondContact O-N 3.44Å; E28-N234 PolarHBondContact O-OD1 2.9Å
29I80.6Confident72.3Confident39 Ų3985.5 Ų85.520%0.241%0.405CS..  trans-133.5113.4172.4-59.2-179.3000107.5K31 Y199 Y229 F232 A233I29-K31 HydrophobicContact CG2-CG 4Å; I29-K31 PolarHBondContact O-N 3.34Å; I29-Y199 HydrophobicContact CG2-CD2 4.24Å; I29-Y199 HydrophobicContact CG2-CE2 4.28Å; I29-Y229 VanDerWaalsContact CD1-CA 3.41Å; I29-Y229 HydrophobicContact CD1-CD2 3.24Å; I29-Y229 HydrophobicContact CD1-CE2 3.74Å; I29-Y229 HydrophobicContact CD1-CG 3.74Å; I29-Y229 VanDerWaalsContact CD1-O 3.24Å; I29-Y229 WeakPolarHBondContact CD1-O 3.44Å; I29-Y229 HydrophobicContact CG1-CD2 4.12Å; I29-Y229 HydrophobicContact CG1-CE2 4.15Å; I29-F232 HydrophobicContact CD1-CB 4.39Å; I29-F232 HydrophobicContact CG2-CB 4.3Å; I29-A233 HydrophobicContact CD1-CB 4.3Å; I29-A233 HydrophobicContact CG1-CB 4.37Å
30D80.3Confident74.6Confident89 Ų8979.6 Ų79.648%0.47638%0.379SS..  trans-81.296.3165.3-179.88.5000109.4S32 S33D30-S32 PolarHBondContact O-N 3.01Å; D30-S32 WeakPolarHBondContact OD1-CA 3.44Å; D30-S32 WeakPolarHBondContact OD1-CB 3.45Å; D30-S32 PolarHBondContact OD1-N 3.22Å; D30-S32 PolarHBondContact OD1-OG 3.35Å; D30-S33 WeakPolarHBondContact O-CB 3.47Å; D30-S33 PolarHBondContact O-N 3.03Å; D30-S33 PolarHBondContact OD1-N 3.11Å; D30-S33 WeakPolarHBondContact OD2-CB 3.29Å; D30-S33 PolarHBondContact OD2-N 3Å
31K84.6Confident76.8Confident107 Ų10778.2 Ų78.247%0.46537%0.365SS..THydrogen-bonded Turntrans-68.4-16.6176.4-59.9-178.1-179176.30113I29 Y199 K200I29-K31 HydrophobicContact CG2-CG 4Å; I29-K31 PolarHBondContact O-N 3.34Å; K31-Y199 HydrophobicContact CB-CD1 3.96Å; K31-Y199 HydrophobicContact CB-CE1 3.79Å; K31-Y199 HydrophobicContact CD-CE1 4.01Å; K31-Y199 HydrophobicContact CG-CD1 4.22Å; K31-Y199 HydrophobicContact CG-CE1 3.72Å; K31-Y199 HydrophobicContact CG-CE2 4.32Å; K31-K200 WeakPolarHBondContact O-CE 3.47Å
32S84.2Confident79.1Confident81 Ų8175 Ų7557%0.56635%0.348SS*.THydrogen-bonded Turntrans-85.4-21.7179.977.90000112.5D30 K200D30-S32 PolarHBondContact O-N 3.01Å; D30-S32 WeakPolarHBondContact OD1-CA 3.44Å; D30-S32 WeakPolarHBondContact OD1-CB 3.45Å; D30-S32 PolarHBondContact OD1-N 3.22Å; D30-S32 PolarHBondContact OD1-OG 3.35Å; S32-K200 PolarHBondContact O-NZ 3.03Å
33S84.4Confident81.4Confident20 Ų2065.2 Ų65.214%0.1431%0.311CS..  trans-53.3138.6-178.2-167.20000113.5D30 H35D30-S33 WeakPolarHBondContact O-CB 3.47Å; D30-S33 PolarHBondContact O-N 3.03Å; D30-S33 PolarHBondContact OD1-N 3.11Å; D30-S33 WeakPolarHBondContact OD2-CB 3.29Å; D30-S33 PolarHBondContact OD2-N 3Å; S33-H35 VanDerWaalsContact C-N 3.32Å; S33-H35 WeakPolarHBondContact OG-CB 3.41Å; S33-H35 PolarHBondContact OG-CD2 3.09Å; S33-H35 PolarHBondContact OG-N 3.17Å
34G88.4Confident84Confident57 Ų5756.2 Ų56.259%0.58828%0.278SS*.  trans-83.8-4169.200000114
35H94.1Very high86.4Confident57 Ų5754.3 Ų54.326%0.26427%0.269SS..  trans-64.8149-178-70.5-55.3000112.5S33 E39 F236S33-H35 VanDerWaalsContact C-N 3.32Å; S33-H35 WeakPolarHBondContact OG-CB 3.41Å; S33-H35 PolarHBondContact OG-CD2 3.09Å; S33-H35 PolarHBondContact OG-N 3.17Å; H35-E39 WeakPolarHBondContact CA-OE2 3.31Å; H35-E39 IonicContact CE1-OE2 2.71Å; H35-E39 IonicContact CG-OE2 3.77Å; H35-E39 IonicContact ND1-OE2 3.88Å; H35-E39 PolarHBondContact ND1-OE2 2.87Å; H35-F236 HydrophobicContact CB-CB 4.31Å; H35-F236 HydrophobicContact CB-CD1 3.68Å; H35-F236 HydrophobicContact CB-CD2 4.03Å; H35-F236 HydrophobicContact CB-CE1 3.92Å; H35-F236 HydrophobicContact CB-CE2 4.23Å; H35-F236 HydrophobicContact CB-CG 3.74Å; H35-F236 HydrophobicContact CB-CZ 4.19Å
36Y95.9Very high88.6Confident24 Ų2450.2 Ų50.29%0.09425%0.251CS..  trans-145.7151.9-17860.7-85.7000111.1G38 E39 P63 A67 L196 P198 F236Y36-G38 PolarHBondContact O-N 2.92Å; Y36-G38 VanDerWaalsContact O-N 3.07Å; Y36-E39 HydrophobicContact CD1-CG 3.99Å; Y36-E39 HydrophobicContact CD2-CG 4.12Å; Y36-E39 VanDerWaalsContact CE1-CD 3.47Å; Y36-E39 HydrophobicContact CE1-CG 3.57Å; Y36-E39 WeakPolarHBondContact CE1-OE1 3.39Å; Y36-E39 HydrophobicContact CE2-CG 3.76Å; Y36-E39 HydrophobicContact CG-CG 4.23Å; Y36-E39 VanDerWaalsContact CZ-CG 3.44Å; Y36-E39 PolarHBondContact N-OE2 3.36Å; Y36-E39 WeakPolarHBondContact O-CB 3.49Å; Y36-E39 PolarHBondContact O-N 3.07Å; Y36-P63 HydrophobicContact CD2-CB 3.64Å; Y36-P63 HydrophobicContact CE2-CB 3.85Å; Y36-P63 WeakPolarHBondContact CE2-O 3.29Å; Y36-A67 HydrophobicContact CE2-CB 4.1Å; Y36-L196 WeakPolarHBondContact CB-O 3.25Å; Y36-L196 WeakPolarHBondContact CD2-O 3.48Å; Y36-P198 HydrophobicContact CD1-CG 4.43Å; Y36-P198 HydrophobicContact CG-CG 4.47Å; Y36-F236 VanDerWaalsContact C-CE1 3.5Å
37G96.7Very high90.5Very high0 Ų040.2 Ų40.20%022%0.215CC..Hα-helixtrans-61.2-24.2-169.500000114.7E39 L40 V41 L195 L196G37-E39 PolarHBondContact O-N 2.81Å; G37-L40 PolarHBondContact O-N 2.73Å; G37-L40 VanDerWaalsContact O-N 3.15Å; G37-V41 PolarHBondContact O-N 3.01Å; G37-L195 VanDerWaalsContact CA-O 3.29Å; G37-L195 WeakPolarHBondContact CA-O 3.31Å; G37-L195 PolarHBondContact N-O 2.69Å; G37-L196 PolarHBondContact N-O 2.83Å
38G97.4Very high92Very high0 Ų038.4 Ų38.40%021%0.207CC..Hα-helixtrans-55.5-34.8173.300000113.6Y36 L40 V41 A42 A67Y36-G38 PolarHBondContact O-N 2.92Å; Y36-G38 VanDerWaalsContact O-N 3.07Å; G38-L40 PolarHBondContact O-N 3.47Å; G38-V41 WeakPolarHBondContact O-CB 3.32Å; G38-V41 PolarHBondContact O-N 3.29Å; G38-A42 PolarHBondContact O-N 3.41Å; G38-A67 VanDerWaalsContact O-CB 3.22Å; G38-A67 WeakPolarHBondContact O-CB 3.46Å
39E97.2Very high93.1Very high35 Ų3537.7 Ų37.716%0.16421%0.208CC..Hα-helixtrans-61.6-44.4176.7-59.4179143.200111.2H35 Y36 G37 V41 A42 D43 A67H35-E39 WeakPolarHBondContact CA-OE2 3.31Å; H35-E39 IonicContact CE1-OE2 2.71Å; H35-E39 IonicContact CG-OE2 3.77Å; H35-E39 IonicContact ND1-OE2 3.88Å; H35-E39 PolarHBondContact ND1-OE2 2.87Å; Y36-E39 HydrophobicContact CD1-CG 3.99Å; Y36-E39 HydrophobicContact CD2-CG 4.12Å; Y36-E39 VanDerWaalsContact CE1-CD 3.47Å; Y36-E39 HydrophobicContact CE1-CG 3.57Å; Y36-E39 WeakPolarHBondContact CE1-OE1 3.39Å; Y36-E39 HydrophobicContact CE2-CG 3.76Å; Y36-E39 HydrophobicContact CG-CG 4.23Å; Y36-E39 VanDerWaalsContact CZ-CG 3.44Å; Y36-E39 PolarHBondContact N-OE2 3.36Å; Y36-E39 WeakPolarHBondContact O-CB 3.49Å; Y36-E39 PolarHBondContact O-N 3.07Å; G37-E39 PolarHBondContact O-N 2.81Å; E39-V41 VanDerWaalsContact C-N 3.26Å; E39-V41 PolarHBondContact O-N 3.38Å; E39-A42 PolarHBondContact O-N 3.22Å; E39-A42 VanDerWaalsContact O-N 3.17Å; E39-D43 PolarHBondContact O-N 3.25Å; E39-A67 HydrophobicContact CG-CB 4.37Å
40L97Very high93.9Very high1 Ų136.3 Ų36.31%0.00520%0.202CC..Hα-helixtrans-67.2-28.7178.9-54.4179000112.5G37 G38 V44 V165 I168 I169 G235 F236 K239G37-L40 PolarHBondContact O-N 2.73Å; G37-L40 VanDerWaalsContact O-N 3.15Å; G38-L40 PolarHBondContact O-N 3.47Å; L40-V44 WeakPolarHBondContact O-CG2 3.38Å; L40-V44 PolarHBondContact O-N 2.98Å; L40-V165 HydrophobicContact CD1-CG1 3.6Å; L40-I168 HydrophobicContact CB-CB 4.24Å; L40-I168 HydrophobicContact CB-CD1 4.49Å; L40-I168 HydrophobicContact CB-CG2 3.77Å; L40-I168 HydrophobicContact CD1-CD1 4.24Å; L40-I169 HydrophobicContact CB-CG1 4.26Å; L40-I169 HydrophobicContact CD2-CD1 4.24Å; L40-G235 WeakPolarHBondContact CD1-O 3.46Å; L40-F236 HydrophobicContact CD1-CD1 4.01Å; L40-F236 HydrophobicContact CD1-CE1 4.13Å; L40-F236 HydrophobicContact CD2-CD1 4.44Å; L40-F236 HydrophobicContact CG-CD1 4.3Å; L40-F236 HydrophobicContact CG-CE1 4.44Å; L40-K239 HydrophobicContact CD2-CG 4.08Å
41V98.3Very high94.7Very high0 Ų035.5 Ų35.50%020%0.202CC..Hα-helixtrans-67.4-49.8172.3179.90000109.6G37 G38 E39 D43 V44 L45 I64 L129 I168 L172 F191 L196G37-V41 PolarHBondContact O-N 3.01Å; G38-V41 WeakPolarHBondContact O-CB 3.32Å; G38-V41 PolarHBondContact O-N 3.29Å; E39-V41 VanDerWaalsContact C-N 3.26Å; E39-V41 PolarHBondContact O-N 3.38Å; V41-D43 VanDerWaalsContact C-N 3.31Å; V41-D43 PolarHBondContact O-N 2.94Å; V41-V44 PolarHBondContact O-N 3.11Å; V41-L45 HydrophobicContact CG1-CD1 4.26Å; V41-L45 HydrophobicContact CG1-CG 4.44Å; V41-L45 WeakPolarHBondContact O-CG 3.46Å; V41-L45 PolarHBondContact O-N 3.28Å; V41-I64 HydrophobicContact CB-CG1 4.24Å; V41-I64 HydrophobicContact CB-CG2 4.36Å; V41-I64 HydrophobicContact CG1-CD1 4.32Å; V41-I64 HydrophobicContact CG1-CG1 4.22Å; V41-I64 HydrophobicContact CG1-CG2 3.74Å; V41-I64 HydrophobicContact CG2-CD1 4.32Å; V41-I64 HydrophobicContact CG2-CG1 4.13Å; V41-L129 HydrophobicContact CG1-CD1 3.74Å; V41-I168 HydrophobicContact CG2-CG2 3.76Å; V41-L172 HydrophobicContact CB-CD1 4.17Å; V41-L172 HydrophobicContact CG1-CD1 3.93Å; V41-L172 HydrophobicContact CG2-CD1 4.05Å; V41-F191 HydrophobicContact CG2-CD1 4.31Å; V41-F191 HydrophobicContact CG2-CE1 3.49Å; V41-F191 VanDerWaalsContact CG2-CE1 3.49Å; V41-F191 HydrophobicContact CG2-CZ 3.88Å; V41-L196 HydrophobicContact CG2-CD2 4.27Å
42A98Very high95.3Very high0 Ų031.2 Ų31.20%018%0.183CC..Hα-helixtrans-59.8-39.117900000112.4G38 E39 V44 L45 K46 A67 E71G38-A42 PolarHBondContact O-N 3.41Å; E39-A42 PolarHBondContact O-N 3.22Å; E39-A42 VanDerWaalsContact O-N 3.17Å; A42-V44 VanDerWaalsContact C-N 3.32Å; A42-V44 PolarHBondContact O-N 3.26Å; A42-L45 PolarHBondContact O-N 3.31Å; A42-K46 WeakPolarHBondContact O-CB 3.17Å; A42-K46 PolarHBondContact O-N 3.15Å; A42-A67 HydrophobicContact CB-CB 3.72Å; A42-E71 HydrophobicContact CB-CB 4.29Å; A42-E71 HydrophobicContact CB-CG 3.82Å
43D96.4Very high96Very high5 Ų527.4 Ų27.43%0.02716%0.156CC..Hα-helixtrans-58-43.7175.5-61.6-23.9000112.4E39 V41 K46 A47 K239 I251E39-D43 PolarHBondContact O-N 3.25Å; V41-D43 VanDerWaalsContact C-N 3.31Å; V41-D43 PolarHBondContact O-N 2.94Å; D43-K46 PolarHBondContact O-N 3.1Å; D43-A47 WeakPolarHBondContact O-CB 3.36Å; D43-A47 PolarHBondContact O-N 2.98Å; D43-K239 IonicContact OD1-NZ 2.73Å; D43-K239 PolarHBondContact OD1-NZ 3.25Å; D43-K239 WeakPolarHBondContact OD2-CE 3.33Å; D43-K239 IonicContact OD2-NZ 3.36Å; D43-K239 PolarHBondContact OD2-NZ 3.43Å; D43-I251 HydrophobicContact CB-CD1 3.71Å
44V97.5Very high96.7Very high0 Ų026.4 Ų26.40%015%0.149CC..Hα-helixtrans-68.1-43.1178.51800000110.2L40 V41 A42 K46 A47 H48 I169 L172 F176 I251L40-V44 WeakPolarHBondContact O-CG2 3.38Å; L40-V44 PolarHBondContact O-N 2.98Å; V41-V44 PolarHBondContact O-N 3.11Å; A42-V44 VanDerWaalsContact C-N 3.32Å; A42-V44 PolarHBondContact O-N 3.26Å; V44-K46 VanDerWaalsContact C-N 3.3Å; V44-K46 PolarHBondContact O-N 3.4Å; V44-A47 PolarHBondContact O-N 3.41Å; V44-H48 PolarHBondContact O-CD2 3.16Å; V44-H48 VanDerWaalsContact O-CD2 3.25Å; V44-H48 PolarHBondContact O-N 2.94Å; V44-I169 HydrophobicContact CG2-CB 4.18Å; V44-I169 HydrophobicContact CG2-CG1 3.99Å; V44-I169 HydrophobicContact CG2-CG2 4.17Å; V44-L172 HydrophobicContact CB-CB 4.19Å; V44-L172 HydrophobicContact CB-CD1 4.2Å; V44-L172 HydrophobicContact CG1-CB 3.67Å; V44-L172 HydrophobicContact CG1-CD1 4.5Å; V44-L172 HydrophobicContact CG2-CB 4.17Å; V44-L172 HydrophobicContact CG2-CD1 4.26Å; V44-F176 HydrophobicContact CG1-CD2 4.48Å; V44-F176 HydrophobicContact CG1-CE2 4.48Å; V44-I251 HydrophobicContact CG2-CD1 4.01Å
45L98.3Very high97.2Very high0 Ų023.7 Ų23.70%012%0.121CC..Hα-helixtrans-58.4-44.6176.5-64.4178.5000111.1V41 A42 H48 N49 V50 I53 I73 V100 F176V41-L45 HydrophobicContact CG1-CD1 4.26Å; V41-L45 HydrophobicContact CG1-CG 4.44Å; V41-L45 WeakPolarHBondContact O-CG 3.46Å; V41-L45 PolarHBondContact O-N 3.28Å; A42-L45 PolarHBondContact O-N 3.31Å; L45-H48 CarbonylContact O-C 3.18Å; L45-H48 PolarHBondContact O-N 3.01Å; L45-N49 PolarHBondContact O-N 3.1Å; L45-V50 HydrophobicContact CB-CB 4.15Å; L45-V50 HydrophobicContact CB-CG2 4.41Å; L45-V50 HydrophobicContact CD2-CG2 4.19Å; L45-V50 WeakPolarHBondContact O-CB 3.31Å; L45-V50 WeakPolarHBondContact O-CG2 3.36Å; L45-V50 PolarHBondContact O-N 3.21Å; L45-I53 HydrophobicContact CD1-CG2 3.86Å; L45-I73 HydrophobicContact CB-CD1 3.48Å; L45-I73 VanDerWaalsContact CB-CD1 3.48Å; L45-I73 HydrophobicContact CD1-CD1 4.41Å; L45-V100 HydrophobicContact CD2-CG1 3.99Å; L45-V100 HydrophobicContact CD2-CG2 4.09Å; L45-F176 HydrophobicContact CD2-CE2 4.04Å; L45-F176 HydrophobicContact CD2-CZ 3.7Å
46K97.1Very high97.4Very high98 Ų9822.9 Ų22.943%0.42612%0.119SC..Hα-helixtrans-62.8-45.6175.2-178.4176.4-177.6-179.70112.3A42 D43 V44 H48 N49 E71 I73A42-K46 WeakPolarHBondContact O-CB 3.17Å; A42-K46 PolarHBondContact O-N 3.15Å; D43-K46 PolarHBondContact O-N 3.1Å; V44-K46 VanDerWaalsContact C-N 3.3Å; V44-K46 PolarHBondContact O-N 3.4Å; K46-H48 PolarHBondContact O-N 2.89Å; K46-N49 WeakPolarHBondContact O-CA 3.46Å; K46-N49 PolarHBondContact O-N 3.14Å; K46-E71 HydrophobicContact CD-CB 4.35Å; K46-E71 WeakPolarHBondContact CD-OE2 3.4Å; K46-E71 WeakPolarHBondContact CE-OE2 3.45Å; K46-E71 IonicContact NZ-OE2 3.51Å; K46-E71 PolarHBondContact NZ-OE2 3.23Å; K46-I73 HydrophobicContact CB-CD1 4.33Å
47A96.1Very high97.4Very high9 Ų926 Ų267%0.07414%0.14CC..Hα-helixtrans-58.9-34.8176.800000112.1D43 V44 N49 I251 V253D43-A47 WeakPolarHBondContact O-CB 3.36Å; D43-A47 PolarHBondContact O-N 2.98Å; V44-A47 PolarHBondContact O-N 3.41Å; A47-N49 VanDerWaalsContact C-N 3.27Å; A47-N49 PolarHBondContact O-N 3.26Å; A47-I251 HydrophobicContact CB-CB 3.93Å; A47-I251 HydrophobicContact CB-CD1 4.44Å; A47-I251 HydrophobicContact CB-CG2 3.84Å; A47-V253 HydrophobicContact CB-CG2 4.1Å; A47-V253 WeakPolarHBondContact O-CG2 3.42Å
48H96.4Very high97.3Very high27 Ų2726.7 Ų26.713%0.12515%0.147CC..THydrogen-bonded Turntrans-84.48.7175.4-78.8-86.4000114.3V44 L45 K46 V50 F176V44-H48 PolarHBondContact O-CD2 3.16Å; V44-H48 VanDerWaalsContact O-CD2 3.25Å; V44-H48 PolarHBondContact O-N 2.94Å; L45-H48 CarbonylContact O-C 3.18Å; L45-H48 PolarHBondContact O-N 3.01Å; K46-H48 PolarHBondContact O-N 2.89Å; H48-V50 VanDerWaalsContact C-N 3.28Å; H48-V50 HydrophobicContact CB-CG2 4.23Å; H48-V50 PolarHBondContact O-N 2.77Å; H48-F176 HydrophobicContact CB-CD1 3.88Å; H48-F176 HydrophobicContact CB-CE1 3.82Å; H48-F176 HydrophobicContact CB-CG 4.43Å; H48-F176 HydrophobicContact CB-CZ 4.31Å; H48-F176 AromaticContact CD2-CG 3.91Å; H48-F176 WeakPolarHBondContact CE1-CB 3.27Å; H48-F176 AromaticContact CE1-CG 3.69Å; H48-F176 AromaticContact CG-CD1 3.63Å; H48-F176 AromaticContact CG-CG 3.75Å; H48-F176 AromaticContact ND1-CD1 3.55Å; H48-F176 AromaticContact ND1-CG 3.62Å; H48-F176 AromaticContact NE2-CG 3.87Å
49N96.2Very high97.1Very high142 Ų14228.6 Ų28.676%0.75917%0.167SC*.THydrogen-bonded Turntrans5538.6-178.5-56.6-62.2000113.5L45 K46 A47 P51L45-N49 PolarHBondContact O-N 3.1Å; K46-N49 WeakPolarHBondContact O-CA 3.46Å; K46-N49 PolarHBondContact O-N 3.14Å; A47-N49 VanDerWaalsContact C-N 3.27Å; A47-N49 PolarHBondContact O-N 3.26Å; N49-P51 VanDerWaalsContact O-CD 3.23Å; N49-P51 WeakPolarHBondContact O-CD 3.36Å
50V98.2Very high97Very high10 Ų1028 Ų286%0.06117%0.165CC..  trans-76.4113.4175.41770000108.8L45 H48 F52 I53 I73 V100 F176L45-V50 HydrophobicContact CB-CB 4.15Å; L45-V50 HydrophobicContact CB-CG2 4.41Å; L45-V50 HydrophobicContact CD2-CG2 4.19Å; L45-V50 WeakPolarHBondContact O-CB 3.31Å; L45-V50 WeakPolarHBondContact O-CG2 3.36Å; L45-V50 PolarHBondContact O-N 3.21Å; H48-V50 VanDerWaalsContact C-N 3.28Å; H48-V50 HydrophobicContact CB-CG2 4.23Å; H48-V50 PolarHBondContact O-N 2.77Å; V50-F52 VanDerWaalsContact CG1-O 3.28Å; V50-F52 WeakPolarHBondContact CG1-O 3.22Å; V50-I53 HydrophobicContact CG1-CG2 4.04Å; V50-I73 HydrophobicContact CG1-CG2 4.49Å; V50-V100 HydrophobicContact CG1-CB 4.27Å; V50-V100 HydrophobicContact CG1-CG2 3.89Å; V50-V100 HydrophobicContact CG2-CG2 3.93Å; V50-F176 HydrophobicContact CG2-CE1 3.78Å; V50-F176 HydrophobicContact CG2-CZ 3.87Å
51P96.8Very high97Very high73 Ų7328 Ų2847%0.47416%0.164SC..  trans-82.4-24.9-17532.1-34.6000113.2N49 R74N49-P51 VanDerWaalsContact O-CD 3.23Å; N49-P51 WeakPolarHBondContact O-CD 3.36Å; P51-R74 PolarHBondContact O-N 2.8Å
52F97.8Very high97Very high17 Ų1730.1 Ų30.18%0.07518%0.179CC..EExtended strand (participates in β ladder)trans-154.8154-178.843-107.3000111.4V50 F54 R74 I76 V91 L510V50-F52 VanDerWaalsContact CG1-O 3.28Å; V50-F52 WeakPolarHBondContact CG1-O 3.22Å; F52-F54 HydrophobicContact CD2-CE1 4.43Å; F52-F54 AromaticContact CD2-CE2 3.58Å; F52-F54 HydrophobicContact CD2-CE2 3.58Å; F52-F54 AromaticContact CD2-CZ 3.47Å; F52-F54 HydrophobicContact CD2-CZ 3.47Å; F52-F54 VanDerWaalsContact CD2-CZ 3.47Å; F52-F54 AromaticContact CE2-CE2 3.75Å; F52-F54 HydrophobicContact CE2-CE2 3.75Å; F52-F54 AromaticContact CE2-CZ 3.58Å; F52-F54 HydrophobicContact CE2-CZ 3.58Å; F52-R74 CarbonylContact C-O 3.58Å; F52-R74 WeakPolarHBondContact CA-O 3.24Å; F52-R74 HydrophobicContact CB-CB 4.03Å; F52-R74 WeakPolarHBondContact CB-O 3.48Å; F52-I76 HydrophobicContact CB-CG1 3.98Å; F52-V91 HydrophobicContact CE2-CB 4.23Å; F52-V91 HydrophobicContact CE2-CG1 3.83Å; F52-V91 HydrophobicContact CE2-CG2 3.42Å; F52-V91 VanDerWaalsContact CE2-CG2 3.42Å; F52-V91 HydrophobicContact CZ-CG1 4.24Å; F52-V91 HydrophobicContact CZ-CG2 3.93Å; F52-L510 HydrophobicContact CD1-CB 4.31Å; F52-L510 HydrophobicContact CE1-CB 3.77Å; F52-L510 HydrophobicContact CE2-CB 4.44Å; F52-L510 HydrophobicContact CZ-CB 3.84Å
53I98.8Very high97Very high0 Ų030.6 Ų30.60%018%0.182CC..EExtended strand (participates in β ladder)trans-123.4145.6174.159.2173000109.9L45 V50 L65 I73 R74 V75 I76 V100 V102L45-I53 HydrophobicContact CD1-CG2 3.86Å; V50-I53 HydrophobicContact CG1-CG2 4.04Å; I53-L65 HydrophobicContact CD1-CD2 3.77Å; I53-I73 HydrophobicContact CG2-CG2 4.1Å; I53-R74 PolarHBondContact N-O 2.86Å; I53-V75 HydrophobicContact CD1-CG2 4.21Å; I53-V75 HydrophobicContact CG1-CG2 4.23Å; I53-I76 PolarHBondContact O-N 2.95Å; I53-V100 HydrophobicContact CB-CG1 4.43Å; I53-V100 HydrophobicContact CG2-CB 3.96Å; I53-V100 HydrophobicContact CG2-CG1 3.71Å; I53-V102 HydrophobicContact CB-CG2 4.17Å; I53-V102 HydrophobicContact CD1-CG2 3.88Å
54F98.9Very high97.1Very high0 Ų030.3 Ų30.30%018%0.181CC..EExtended strand (participates in β ladder)trans-103.7137178.3-56.8-83.6000110.9F52 I76 A84 A87 A88 V91 V100 A101 V102 L506 L510F52-F54 HydrophobicContact CD2-CE1 4.43Å; F52-F54 AromaticContact CD2-CE2 3.58Å; F52-F54 HydrophobicContact CD2-CE2 3.58Å; F52-F54 AromaticContact CD2-CZ 3.47Å; F52-F54 HydrophobicContact CD2-CZ 3.47Å; F52-F54 VanDerWaalsContact CD2-CZ 3.47Å; F52-F54 AromaticContact CE2-CE2 3.75Å; F52-F54 HydrophobicContact CE2-CE2 3.75Å; F52-F54 AromaticContact CE2-CZ 3.58Å; F52-F54 HydrophobicContact CE2-CZ 3.58Å; F54-I76 CarbonylContact C-O 3.55Å; F54-I76 WeakPolarHBondContact CA-O 3.31Å; F54-I76 HydrophobicContact CD1-CB 3.68Å; F54-I76 HydrophobicContact CD1-CG1 4.31Å; F54-I76 HydrophobicContact CD1-CG2 3.71Å; F54-I76 HydrophobicContact CE1-CB 3.95Å; F54-I76 HydrophobicContact CE1-CG1 4.13Å; F54-I76 HydrophobicContact CE1-CG2 3.85Å; F54-A84 HydrophobicContact CB-CB 3.84Å; F54-A84 WeakPolarHBondContact CB-O 3.39Å; F54-A87 HydrophobicContact CB-CB 4.37Å; F54-A87 HydrophobicContact CD1-CB 3.39Å; F54-A87 HydrophobicContact CD2-CB 3.95Å; F54-A87 HydrophobicContact CE1-CB 3.52Å; F54-A87 HydrophobicContact CE2-CB 4.08Å; F54-A87 HydrophobicContact CG-CB 3.61Å; F54-A87 HydrophobicContact CZ-CB 3.87Å; F54-A88 HydrophobicContact CD2-CB 4.06Å; F54-V91 HydrophobicContact CE2-CG2 3.75Å; F54-V91 HydrophobicContact CZ-CG2 3.8Å; F54-V100 PolarHBondContact N-O 2.96Å; F54-V100 VanDerWaalsContact N-O 3.08Å; F54-A101 CarbonylContact O-C 3.57Å; F54-A101 VanDerWaalsContact O-CA 3.31Å; F54-A101 WeakPolarHBondContact O-CA 3.48Å; F54-V102 PolarHBondContact O-N 3.41Å; F54-L506 HydrophobicContact CD1-CD2 4.26Å; F54-L506 HydrophobicContact CE1-CD2 4.34Å; F54-L506 HydrophobicContact CE1-CG 4.14Å; F54-L510 HydrophobicContact CE1-CD1 3.6Å; F54-L510 HydrophobicContact CZ-CD1 3.89Å
55T98.8Very high97.1Very high0 Ų031.1 Ų31.10%019%0.185CC..EExtended strand (participates in β ladder)trans-151.2151.9-174.4-169.60000112.9T57 L65 V75 I76 D77 V78 V102T55-T57 HydrophobicContact CG2-CG2 4.3Å; T55-L65 HydrophobicContact CG2-CD1 4.01Å; T55-L65 HydrophobicContact CG2-CD2 3.94Å; T55-V75 HydrophobicContact CG2-CG1 3.64Å; T55-I76 PolarHBondContact N-O 2.93Å; T55-D77 HydrophobicContact CG2-CB 4.32Å; T55-D77 CarbonylContact O-C 3.31Å; T55-D77 WeakPolarHBondContact O-CA 3.28Å; T55-V78 WeakPolarHBondContact O-CG2 3.4Å; T55-V78 PolarHBondContact O-N 2.78Å; T55-V102 VanDerWaalsContact CA-O 3.24Å; T55-V102 WeakPolarHBondContact CA-O 3.23Å; T55-V102 WeakPolarHBondContact CB-O 3.26Å; T55-V102 PolarHBondContact OG1-O 3.02Å
56L98.2Very high97.1Very high40 Ų4034.2 Ų34.221%0.20920%0.204CC..  trans-105.6126.4149.5-168.3139.5000106.6V78 R79 E81L56-V78 HydrophobicContact CB-CG2 4.49Å; L56-R79 VanDerWaalsContact CD1-C 3.45Å; L56-R79 VanDerWaalsContact CD1-O 3.27Å; L56-R79 WeakPolarHBondContact CD1-O 3.45Å; L56-E81 HydrophobicContact CB-CG 3.76Å; L56-E81 HydrophobicContact CD1-CG 4.45Å; L56-E81 HydrophobicContact CG-CG 4.47Å
57T95.5Very high97.2Very high88 Ų8829.7 Ų29.754%0.5418%0.184SC..  trans-67.5141.5-166.956.80000111.8T55 L65 D77T55-T57 HydrophobicContact CG2-CG2 4.3Å; T57-L65 HydrophobicContact CG2-CD1 3.93Å; T57-D77 HydrophobicContact CG2-CB 4.31Å
58G94.3Very high97.3Very high15 Ų1529.2 Ų29.216%0.15518%0.181CC..  trans-163.6152.317500000111.8H60 I61 S62G58-H60 PolarHBondContact O-N 2.77Å; G58-H60 VanDerWaalsContact O-N 3.14Å; G58-I61 WeakPolarHBondContact O-CD1 3.48Å; G58-I61 WeakPolarHBondContact O-CG1 3.31Å; G58-I61 PolarHBondContact O-N 3Å; G58-S62 PolarHBondContact O-N 3.37Å; G58-S62 PolarHBondContact O-OG 2.82Å
59G93.2Very high97.4Very high41 Ų4134.2 Ų34.242%0.42320%0.204SC..THydrogen-bonded Turntrans-57.6-32.1-171.800000114.3I61 Y197G59-I61 PolarHBondContact O-N 3.38Å; G59-I61 VanDerWaalsContact O-N 3.16Å; G59-Y197 PolarHBondContact O-OH 2.81Å
60H94.5Very high97.4Very high23 Ų2333.4 Ų33.411%0.10619%0.194CC..THydrogen-bonded Turntrans-65.5-19.1180-63.895.6000114.1G58 T104 A105 A132 Q144 L196G58-H60 PolarHBondContact O-N 2.77Å; G58-H60 VanDerWaalsContact O-N 3.14Å; H60-T104 PolarHBondContact ND1-OG1 2.9Å; H60-T104 VanDerWaalsContact ND1-OG1 3.12Å; H60-A105 HydrophobicContact CB-CB 4.43Å; H60-A132 PolarHBondContact CD2-O 3.27Å; H60-Q144 PolarHBondContact CE1-OE1 3.28Å; H60-Q144 PolarHBondContact ND1-OE1 3.23Å; H60-Q144 VanDerWaalsContact ND1-OE1 3.16Å; H60-L196 WeakPolarHBondContact O-CD1 3.35Å
61I97.3Very high97.3Very high0 Ų035.2 Ų35.20%020%0.202CC..THydrogen-bonded Turntrans-122.1-2.1-175.955.275000113.7G58 G59 P63 I64 L65 V102 V103G58-I61 WeakPolarHBondContact O-CD1 3.48Å; G58-I61 WeakPolarHBondContact O-CG1 3.31Å; G58-I61 PolarHBondContact O-N 3Å; G59-I61 PolarHBondContact O-N 3.38Å; G59-I61 VanDerWaalsContact O-N 3.16Å; I61-P63 VanDerWaalsContact C-N 3.31Å; I61-P63 VanDerWaalsContact O-N 3.16Å; I61-I64 HydrophobicContact CG2-CD1 4.48Å; I61-I64 WeakPolarHBondContact O-CB 3.45Å; I61-I64 PolarHBondContact O-N 3.38Å; I61-L65 HydrophobicContact CD1-CD1 3.43Å; I61-L65 VanDerWaalsContact CD1-CD1 3.43Å; I61-L65 HydrophobicContact CD1-CD2 4.01Å; I61-L65 HydrophobicContact CD1-CG 3.64Å; I61-L65 PolarHBondContact O-N 2.94Å; I61-V102 HydrophobicContact CB-CG1 3.77Å; I61-V102 HydrophobicContact CD1-CG1 4.33Å; I61-V102 HydrophobicContact CG1-CG1 4.11Å; I61-V102 HydrophobicContact CG2-CG1 3.96Å; I61-V103 VanDerWaalsContact CG2-O 3.27Å; I61-V103 WeakPolarHBondContact CG2-O 3.23Å
62S98Very high97.3Very high44 Ų4438.7 Ų38.731%0.30822%0.216SC..Hα-helixtrans-50-41-178.6-59.10000114.4G58 I64 L65 V66G58-S62 PolarHBondContact O-N 3.37Å; G58-S62 PolarHBondContact O-OG 2.82Å; S62-I64 VanDerWaalsContact C-N 3.28Å; S62-I64 PolarHBondContact O-N 3.44Å; S62-L65 PolarHBondContact O-N 2.72Å; S62-L65 VanDerWaalsContact O-N 3.17Å; S62-V66 WeakPolarHBondContact O-CG2 3.49Å; S62-V66 PolarHBondContact O-N 3.3Å
63P98.3Very high97.4Very high10 Ų1038.1 Ų38.17%0.06521%0.214CC..Hα-helixtrans-63.3-32.3177.9-22.134000113.6Y36 I61 A67 L196 Y197Y36-P63 HydrophobicContact CD2-CB 3.64Å; Y36-P63 HydrophobicContact CE2-CB 3.85Å; Y36-P63 WeakPolarHBondContact CE2-O 3.29Å; I61-P63 VanDerWaalsContact C-N 3.31Å; I61-P63 VanDerWaalsContact O-N 3.16Å; P63-A67 VanDerWaalsContact O-CB 3.27Å; P63-A67 WeakPolarHBondContact O-CB 3.22Å; P63-A67 PolarHBondContact O-N 3.18Å; P63-A67 VanDerWaalsContact O-N 3.08Å; P63-L196 HydrophobicContact CB-CB 4.14Å; P63-L196 WeakPolarHBondContact CB-O 3.46Å; P63-L196 HydrophobicContact CG-CB 3.97Å; P63-L196 WeakPolarHBondContact CG-O 3.29Å; P63-Y197 HydrophobicContact CG-CD1 4.17Å; P63-Y197 HydrophobicContact CG-CD2 3.63Å; P63-Y197 HydrophobicContact CG-CE1 4Å; P63-Y197 HydrophobicContact CG-CE2 3.4Å; P63-Y197 VanDerWaalsContact CG-CE2 3.4Å; P63-Y197 HydrophobicContact CG-CG 4.04Å
64I98.6Very high97.3Very high0 Ų044.1 Ų44.10%024%0.236CC..Hα-helixtrans-65.8-42.7175.7-62173.3000109.9V41 I61 S62 S68 V102 F191 L196V41-I64 HydrophobicContact CB-CG1 4.24Å; V41-I64 HydrophobicContact CB-CG2 4.36Å; V41-I64 HydrophobicContact CG1-CD1 4.32Å; V41-I64 HydrophobicContact CG1-CG1 4.22Å; V41-I64 HydrophobicContact CG1-CG2 3.74Å; V41-I64 HydrophobicContact CG2-CD1 4.32Å; V41-I64 HydrophobicContact CG2-CG1 4.13Å; I61-I64 HydrophobicContact CG2-CD1 4.48Å; I61-I64 WeakPolarHBondContact O-CB 3.45Å; I61-I64 PolarHBondContact O-N 3.38Å; S62-I64 VanDerWaalsContact C-N 3.28Å; S62-I64 PolarHBondContact O-N 3.44Å; I64-S68 VanDerWaalsContact O-CB 3.3Å; I64-S68 WeakPolarHBondContact O-CB 3.26Å; I64-S68 PolarHBondContact O-N 3.34Å; I64-S68 PolarHBondContact O-OG 3.49Å; I64-V102 HydrophobicContact CD1-CG1 4.38Å; I64-V102 HydrophobicContact CG2-CG1 4.26Å; I64-F191 HydrophobicContact CD1-CD2 4.44Å; I64-L196 HydrophobicContact CD1-CD1 3.9Å; I64-L196 HydrophobicContact CD1-CD2 4.06Å; I64-L196 HydrophobicContact CG1-CD1 4.1Å; I64-L196 HydrophobicContact CG1-CD2 3.85Å
65L98.6Very high97.3Very high17 Ų1746 Ų469%0.08925%0.248CC..Hα-helixtrans-65.1-49-178.6-54.7-172.2000111.5I53 T55 T57 I61 S62 A67 S68 E69 V75 V102I53-L65 HydrophobicContact CD1-CD2 3.77Å; T55-L65 HydrophobicContact CG2-CD1 4.01Å; T55-L65 HydrophobicContact CG2-CD2 3.94Å; T57-L65 HydrophobicContact CG2-CD1 3.93Å; I61-L65 HydrophobicContact CD1-CD1 3.43Å; I61-L65 VanDerWaalsContact CD1-CD1 3.43Å; I61-L65 HydrophobicContact CD1-CD2 4.01Å; I61-L65 HydrophobicContact CD1-CG 3.64Å; I61-L65 PolarHBondContact O-N 2.94Å; S62-L65 PolarHBondContact O-N 2.72Å; S62-L65 VanDerWaalsContact O-N 3.17Å; L65-A67 VanDerWaalsContact C-N 3.34Å; L65-A67 PolarHBondContact O-N 3.07Å; L65-S68 PolarHBondContact O-N 2.98Å; L65-E69 PolarHBondContact O-N 2.73Å; L65-V75 HydrophobicContact CB-CG1 4.39Å; L65-V75 HydrophobicContact CB-CG2 4.3Å; L65-V75 HydrophobicContact CD1-CG1 4.33Å; L65-V75 HydrophobicContact CD2-CG1 3.97Å; L65-V75 HydrophobicContact CG-CG1 4.46Å; L65-V102 HydrophobicContact CD2-CB 4.42Å; L65-V102 HydrophobicContact CD2-CG1 4.28Å
66V98.3Very high97.3Very high65 Ų6546 Ų4639%0.39425%0.248SC..Hα-helixtrans-62.5-40.8179.2173.40000111.5S62 K70S62-V66 WeakPolarHBondContact O-CG2 3.49Å; S62-V66 PolarHBondContact O-N 3.3Å; V66-K70 WeakPolarHBondContact O-CG 3.35Å; V66-K70 PolarHBondContact O-N 2.91Å
67A98.1Very high97.3Very high2 Ų246.7 Ų46.72%0.01725%0.252CS..Hα-helixtrans-67.6-38.8176.100000112.4Y36 G38 E39 A42 P63 L65 K70 E71Y36-A67 HydrophobicContact CE2-CB 4.1Å; G38-A67 VanDerWaalsContact O-CB 3.22Å; G38-A67 WeakPolarHBondContact O-CB 3.46Å; E39-A67 HydrophobicContact CG-CB 4.37Å; A42-A67 HydrophobicContact CB-CB 3.72Å; P63-A67 VanDerWaalsContact O-CB 3.27Å; P63-A67 WeakPolarHBondContact O-CB 3.22Å; P63-A67 PolarHBondContact O-N 3.18Å; P63-A67 VanDerWaalsContact O-N 3.08Å; L65-A67 VanDerWaalsContact C-N 3.34Å; L65-A67 PolarHBondContact O-N 3.07Å; A67-K70 PolarHBondContact O-N 3.03Å; A67-E71 PolarHBondContact O-N 3.16Å; A67-E71 VanDerWaalsContact O-N 3.09Å
68S98.5Very high97.5Very high0 Ų042.8 Ų42.80%023%0.228CC..Hα-helixtrans-62.6-44.1178-610000111.3I64 L65 K70 E71 N72 I73I64-S68 VanDerWaalsContact O-CB 3.3Å; I64-S68 WeakPolarHBondContact O-CB 3.26Å; I64-S68 PolarHBondContact O-N 3.34Å; I64-S68 PolarHBondContact O-OG 3.49Å; L65-S68 PolarHBondContact O-N 2.98Å; S68-K70 VanDerWaalsContact C-N 3.35Å; S68-K70 PolarHBondContact O-N 3.43Å; S68-E71 CarbonylContact O-C 3.58Å; S68-E71 PolarHBondContact O-N 3.12Å; S68-E71 VanDerWaalsContact O-N 3.13Å; S68-N72 PolarHBondContact O-N 2.99Å; S68-I73 CarbonylContact C-O 3.55Å; S68-I73 WeakPolarHBondContact O-CA 3.49Å; S68-I73 WeakPolarHBondContact O-CB 3.25Å; S68-I73 PolarHBondContact O-N 3.21Å
69E98.1Very high97.6Very high131 Ų13148.3 Ų48.361%0.61224%0.244SC*.Hα-helixtrans-56.1-47.7174178.7-171.9-133.100111.7L65 E71 N72L65-E69 PolarHBondContact O-N 2.73Å; E69-E71 PolarHBondContact O-N 2.98Å; E69-N72 WeakPolarHBondContact O-CA 3.37Å; E69-N72 PolarHBondContact O-N 3.29Å
70K97.4Very high97.8Very high126 Ų12649 Ų4955%0.54824%0.238SC..Hα-helixtrans-61.2-30.7178-70.7174-179.6178.40113.1V66 A67 S68 N72V66-K70 WeakPolarHBondContact O-CG 3.35Å; V66-K70 PolarHBondContact O-N 2.91Å; A67-K70 PolarHBondContact O-N 3.03Å; S68-K70 VanDerWaalsContact C-N 3.35Å; S68-K70 PolarHBondContact O-N 3.43Å; K70-N72 PolarHBondContact O-N 2.97Å
71E95.7Very high98Very high48 Ų4848.8 Ų48.822%0.22424%0.237CC..THydrogen-bonded Turntrans-8611.5174.9-68.2-56.514900113.6A42 K46 A67 S68 E69 I73A42-E71 HydrophobicContact CB-CB 4.29Å; A42-E71 HydrophobicContact CB-CG 3.82Å; K46-E71 HydrophobicContact CD-CB 4.35Å; K46-E71 WeakPolarHBondContact CD-OE2 3.4Å; K46-E71 WeakPolarHBondContact CE-OE2 3.45Å; K46-E71 IonicContact NZ-OE2 3.51Å; K46-E71 PolarHBondContact NZ-OE2 3.23Å; A67-E71 PolarHBondContact O-N 3.16Å; A67-E71 VanDerWaalsContact O-N 3.09Å; S68-E71 CarbonylContact O-C 3.58Å; S68-E71 PolarHBondContact O-N 3.12Å; S68-E71 VanDerWaalsContact O-N 3.13Å; E69-E71 PolarHBondContact O-N 2.98Å; E71-I73 HydrophobicContact CB-CD1 4.36Å; E71-I73 HydrophobicContact CB-CG1 4.34Å; E71-I73 PolarHBondContact O-N 3.35Å
72N97.3Very high98.1Very high145 Ų14549.5 Ų49.578%0.77524%0.243SC*.THydrogen-bonded Turntrans60.925.9-177.1-56.5-77.1000114.3S68 E69 K70S68-N72 PolarHBondContact O-N 2.99Å; E69-N72 WeakPolarHBondContact O-CA 3.37Å; E69-N72 PolarHBondContact O-N 3.29Å; K70-N72 PolarHBondContact O-N 2.97Å
73I98.2Very high98.1Very high5 Ų547.6 Ų47.63%0.02623%0.23CC..  trans-90.8116.4170.6-55.7175.9000107.1L45 K46 V50 I53 S68 E71 V75L45-I73 HydrophobicContact CB-CD1 3.48Å; L45-I73 VanDerWaalsContact CB-CD1 3.48Å; L45-I73 HydrophobicContact CD1-CD1 4.41Å; K46-I73 HydrophobicContact CB-CD1 4.33Å; V50-I73 HydrophobicContact CG1-CG2 4.49Å; I53-I73 HydrophobicContact CG2-CG2 4.1Å; S68-I73 CarbonylContact C-O 3.55Å; S68-I73 WeakPolarHBondContact O-CA 3.49Å; S68-I73 WeakPolarHBondContact O-CB 3.25Å; S68-I73 PolarHBondContact O-N 3.21Å; E71-I73 HydrophobicContact CB-CD1 4.36Å; E71-I73 HydrophobicContact CB-CG1 4.34Å; E71-I73 PolarHBondContact O-N 3.35Å; I73-V75 PolarHBondContact O-N 2.86Å
74R98.3Very high98.1Very high126 Ų12647.1 Ų47.148%0.47523%0.226SC..EExtended strand (participates in β ladder)trans-67.8130.2-176.4-64.9173.859.9-168.9-1.8110.6P51 F52 I53 I76P51-R74 PolarHBondContact O-N 2.8Å; F52-R74 CarbonylContact C-O 3.58Å; F52-R74 WeakPolarHBondContact CA-O 3.24Å; F52-R74 HydrophobicContact CB-CB 4.03Å; F52-R74 WeakPolarHBondContact CB-O 3.48Å; I53-R74 PolarHBondContact N-O 2.86Å; R74-I76 HydrophobicContact CB-CD1 4.15Å
75V98.6Very high98.1Very high41 Ų4147.1 Ų47.125%0.24823%0.226CC..EExtended strand (participates in β ladder)trans-91.1115.2173.2-1790000108.8I53 T55 L65 I73I53-V75 HydrophobicContact CD1-CG2 4.21Å; I53-V75 HydrophobicContact CG1-CG2 4.23Å; T55-V75 HydrophobicContact CG2-CG1 3.64Å; L65-V75 HydrophobicContact CB-CG1 4.39Å; L65-V75 HydrophobicContact CB-CG2 4.3Å; L65-V75 HydrophobicContact CD1-CG1 4.33Å; L65-V75 HydrophobicContact CD2-CG1 3.97Å; L65-V75 HydrophobicContact CG-CG1 4.46Å; I73-V75 PolarHBondContact O-N 2.86Å
76I98.6Very high98.2Very high0 Ų046.6 Ų46.60%022%0.223CC..EExtended strand (participates in β ladder)trans-104.999.1-178.5-50.4-61.1000108.7F52 I53 F54 T55 R74 L506 L510F52-I76 HydrophobicContact CB-CG1 3.98Å; I53-I76 PolarHBondContact O-N 2.95Å; F54-I76 CarbonylContact C-O 3.55Å; F54-I76 WeakPolarHBondContact CA-O 3.31Å; F54-I76 HydrophobicContact CD1-CB 3.68Å; F54-I76 HydrophobicContact CD1-CG1 4.31Å; F54-I76 HydrophobicContact CD1-CG2 3.71Å; F54-I76 HydrophobicContact CE1-CB 3.95Å; F54-I76 HydrophobicContact CE1-CG1 4.13Å; F54-I76 HydrophobicContact CE1-CG2 3.85Å; T55-I76 PolarHBondContact N-O 2.93Å; R74-I76 HydrophobicContact CB-CD1 4.15Å; I76-L506 HydrophobicContact CG2-CD1 4.1Å; I76-L506 HydrophobicContact CG2-CD2 3.64Å; I76-L506 HydrophobicContact CG2-CG 4.03Å; I76-L510 HydrophobicContact CD1-CD1 4.01Å; I76-L510 HydrophobicContact CD1-CD2 4.48Å; I76-L510 HydrophobicContact CG1-CD1 3.82Å; I76-L510 HydrophobicContact CG2-CD1 4.19Å
77D98.1Very high98.2Very high53 Ų5343.5 Ų43.528%0.28321%0.205SC..EExtended strand (participates in β ladder)trans-83.9134.6178.872-61.8000112.6T55 T57 R538 H539T55-D77 HydrophobicContact CG2-CB 4.32Å; T55-D77 CarbonylContact O-C 3.31Å; T55-D77 WeakPolarHBondContact O-CA 3.28Å; T57-D77 HydrophobicContact CG2-CB 4.31Å; D77-R538 PolarHBondContact O-NH1 2.94Å; D77-R538 PolarHBondContact O-NH2 3.18Å; D77-R538 IonicContact OD1-CZ 3.61Å; D77-R538 IonicContact OD1-NH1 3.9Å; D77-R538 PolarHBondContact OD1-NH1 2.96Å; D77-R538 IonicContact OD2-CZ 3.54Å; D77-R538 VanDerWaalsContact OD2-CZ 3.3Å; D77-R538 IonicContact OD2-NH1 2.74Å; D77-R538 PolarHBondContact OD2-NH1 3.04Å; D77-R538 IonicContact OD2-NH2 2.8Å; D77-R538 PolarHBondContact OD2-NH2 3.06Å; D77-H539 PolarHBondContact N-NE2 3.46Å; D77-H539 PolarHBondContact O-NE2 3.31Å; D77-H539 IonicContact OD1-CE1 3.35Å; D77-H539 PolarHBondContact OD1-CE1 3.16Å; D77-H539 VanDerWaalsContact OD1-CE1 3.25Å; D77-H539 IonicContact OD1-NE2 2.72Å; D77-H539 PolarHBondContact OD1-NE2 3.04Å
78V98.4Very high98.2Very high6 Ų643.4 Ų43.44%0.03620%0.204CC..  trans-116.1171.8-177.4-62.80000111.9T55 L56 N80 A84 L506 E532T55-V78 WeakPolarHBondContact O-CG2 3.4Å; T55-V78 PolarHBondContact O-N 2.78Å; L56-V78 HydrophobicContact CB-CG2 4.49Å; V78-N80 WeakPolarHBondContact CG2-O 3.25Å; V78-A84 HydrophobicContact CG2-CB 3.71Å; V78-L506 HydrophobicContact CG1-CD2 3.6Å; V78-E532 WeakPolarHBondContact CB-OE2 3.46Å
79R97.5Very high98.2Very high131 Ų13143.4 Ų43.449%0.49420%0.204SC..SBendtrans-90.1-18.1179.2-66.2-67.9-171.8172.13113.7L56 V531 E532 D534L56-R79 VanDerWaalsContact CD1-C 3.45Å; L56-R79 VanDerWaalsContact CD1-O 3.27Å; L56-R79 WeakPolarHBondContact CD1-O 3.45Å; R79-V531 HydrophobicContact CB-CB 4.49Å; R79-V531 HydrophobicContact CB-CG1 3.96Å; R79-V531 HydrophobicContact CB-CG2 3.84Å; R79-V531 HydrophobicContact CG-CG2 4Å; R79-E532 PolarHBondContact N-OE1 3.24Å; R79-E532 VanDerWaalsContact N-OE1 3.07Å; R79-E532 PolarHBondContact N-OE2 2.87Å; R79-D534 IonicContact CZ-OD1 3.2Å; R79-D534 IonicContact CZ-OD2 2.75Å; R79-D534 IonicContact NE-OD1 2.73Å; R79-D534 IonicContact NE-OD2 3.54Å; R79-D534 PolarHBondContact NE-OD2 2.88Å; R79-D534 IonicContact NH2-OD1 2.9Å; R79-D534 PolarHBondContact NH2-OD1 2.94Å; R79-D534 IonicContact NH2-OD2 2.74Å; R79-D534 PolarHBondContact NH2-OD2 3.28Å
80N97.8Very high98.3Very high55 Ų5537.1 Ų37.129%0.29418%0.175SC..SBendtrans-139.4137.6177.5-172.6-42.7000111.5V78 A82 S83 A84 E532V78-N80 WeakPolarHBondContact CG2-O 3.25Å; N80-A82 VanDerWaalsContact C-N 3.26Å; N80-A82 PolarHBondContact O-N 2.82Å; N80-A82 WeakPolarHBondContact OD1-CB 3.41Å; N80-A82 PolarHBondContact OD1-N 2.9Å; N80-S83 VanDerWaalsContact O-CB 3.26Å; N80-S83 WeakPolarHBondContact O-CB 3.47Å; N80-S83 PolarHBondContact O-N 3.32Å; N80-A84 PolarHBondContact O-N 3.24Å; N80-E532 PolarHBondContact N-OE1 3.08Å
81E98.6Very high98.3Very high20 Ų2031.5 Ų31.59%0.09315%0.151CC..Hα-helixtrans-61.3-32.1-179.8-61.192.9160.200113.6L56 S83 A84 V85 V103 G108 N111 T112L56-E81 HydrophobicContact CB-CG 3.76Å; L56-E81 HydrophobicContact CD1-CG 4.45Å; L56-E81 HydrophobicContact CG-CG 4.47Å; E81-S83 VanDerWaalsContact C-N 3.3Å; E81-S83 PolarHBondContact O-N 3.39Å; E81-A84 WeakPolarHBondContact O-CB 3.2Å; E81-A84 PolarHBondContact O-N 3.44Å; E81-V85 PolarHBondContact O-N 2.84Å; E81-V103 HydrophobicContact CB-CG1 4.18Å; E81-V103 HydrophobicContact CG-CG1 4.33Å; E81-G108 VanDerWaalsContact CB-O 3.28Å; E81-G108 WeakPolarHBondContact CB-O 3.31Å; E81-G108 VanDerWaalsContact CG-O 3.31Å; E81-G108 WeakPolarHBondContact CG-O 3.46Å; E81-G108 WeakPolarHBondContact OE1-CA 3.36Å; E81-N111 HydrophobicContact CB-CB 4.02Å; E81-N111 PolarHBondContact OE2-ND2 2.71Å; E81-T112 HydrophobicContact CB-CG2 3.77Å
82A98.5Very high98.4Very high15 Ų1529.6 Ų29.612%0.12414%0.143CC..Hα-helixtrans-60.9-41.1173.500000111.2N80 A84 V85 F86 A115N80-A82 VanDerWaalsContact C-N 3.26Å; N80-A82 PolarHBondContact O-N 2.82Å; N80-A82 WeakPolarHBondContact OD1-CB 3.41Å; N80-A82 PolarHBondContact OD1-N 2.9Å; A82-A84 VanDerWaalsContact C-N 3.28Å; A82-A84 PolarHBondContact O-N 2.85Å; A82-V85 PolarHBondContact O-N 3.28Å; A82-V85 VanDerWaalsContact O-N 3.16Å; A82-F86 HydrophobicContact CB-CD2 4.35Å; A82-F86 HydrophobicContact CB-CE2 4.06Å; A82-F86 WeakPolarHBondContact O-CD2 3.28Å; A82-F86 WeakPolarHBondContact O-CG 3.28Å; A82-F86 PolarHBondContact O-N 2.85Å; A82-A115 HydrophobicContact CB-CB 4.25Å
83S98.7Very high98.4Very high3 Ų323.1 Ų23.12%0.02111%0.107CC..Hα-helixtrans-61.1-35.2176.5-53.90000112.4N80 E81 V85 F86 A87 G503 E532N80-S83 VanDerWaalsContact O-CB 3.26Å; N80-S83 WeakPolarHBondContact O-CB 3.47Å; N80-S83 PolarHBondContact O-N 3.32Å; E81-S83 VanDerWaalsContact C-N 3.3Å; E81-S83 PolarHBondContact O-N 3.39Å; S83-V85 VanDerWaalsContact C-N 3.34Å; S83-V85 PolarHBondContact O-N 3.17Å; S83-F86 PolarHBondContact O-N 3.34Å; S83-A87 WeakPolarHBondContact O-CB 3.4Å; S83-A87 PolarHBondContact O-N 2.81Å; S83-G503 WeakPolarHBondContact O-CA 3.35Å; S83-E532 WeakPolarHBondContact CB-OE1 3.26Å; S83-E532 VanDerWaalsContact OG-CD 3.32Å; S83-E532 VanDerWaalsContact OG-CG 3.31Å; S83-E532 WeakPolarHBondContact OG-CG 3.39Å; S83-E532 PolarHBondContact OG-OE1 3.32Å
84A98.9Very high98.4Very high0 Ų023.5 Ų23.50%011%0.11CC..Hα-helixtrans-62.1-4417600000111.2F54 V78 N80 E81 A82 A87 A88 A101F54-A84 HydrophobicContact CB-CB 3.84Å; F54-A84 WeakPolarHBondContact CB-O 3.39Å; V78-A84 HydrophobicContact CG2-CB 3.71Å; N80-A84 PolarHBondContact O-N 3.24Å; E81-A84 WeakPolarHBondContact O-CB 3.2Å; E81-A84 PolarHBondContact O-N 3.44Å; A82-A84 VanDerWaalsContact C-N 3.28Å; A82-A84 PolarHBondContact O-N 2.85Å; A84-A87 PolarHBondContact O-N 3.31Å; A84-A88 PolarHBondContact O-N 3.12Å; A84-A101 HydrophobicContact CB-CB 4.42Å
85V98.9Very high98.2Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-70.8-39.4177.4177.20000111.5E81 A82 S83 A87 A88 D89 A101 T112 A115 V116 L128E81-V85 PolarHBondContact O-N 2.84Å; A82-V85 PolarHBondContact O-N 3.28Å; A82-V85 VanDerWaalsContact O-N 3.16Å; S83-V85 VanDerWaalsContact C-N 3.34Å; S83-V85 PolarHBondContact O-N 3.17Å; V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 3.11Å; V85-A88 PolarHBondContact O-N 2.83Å; V85-D89 WeakPolarHBondContact O-CB 3.35Å; V85-D89 PolarHBondContact O-N 3.31Å; V85-A101 HydrophobicContact CG2-CB 3.86Å; V85-T112 HydrophobicContact CG2-CG2 3.7Å; V85-A115 HydrophobicContact CB-CB 3.65Å; V85-A115 HydrophobicContact CG1-CB 3.65Å; V85-V116 HydrophobicContact CG1-CG2 3.91Å; V85-V116 HydrophobicContact CG2-CG2 4.42Å; V85-L128 HydrophobicContact CG2-CD1 3.97Å
86F98.9Very high97.8Very high6 Ų619.6 Ų19.63%0.02611%0.107CC..Hα-helixtrans-62.3-40.1173.8-70.5-48.4000112A82 S83 D89 A90 A115 N118 T497 G499 V500 F504A82-F86 HydrophobicContact CB-CD2 4.35Å; A82-F86 HydrophobicContact CB-CE2 4.06Å; A82-F86 WeakPolarHBondContact O-CD2 3.28Å; A82-F86 WeakPolarHBondContact O-CG 3.28Å; A82-F86 PolarHBondContact O-N 2.85Å; S83-F86 PolarHBondContact O-N 3.34Å; F86-D89 WeakPolarHBondContact O-CB 3.5Å; F86-D89 PolarHBondContact O-N 3.02Å; F86-A90 PolarHBondContact O-N 3.21Å; F86-A115 HydrophobicContact CD1-CB 3.82Å; F86-A115 HydrophobicContact CD2-CB 4.1Å; F86-A115 VanDerWaalsContact CE1-CA 3.48Å; F86-A115 HydrophobicContact CE1-CB 3.56Å; F86-A115 HydrophobicContact CE2-CB 3.88Å; F86-A115 HydrophobicContact CG-CB 4.07Å; F86-A115 HydrophobicContact CZ-CB 3.6Å; F86-N118 HydrophobicContact CE1-CB 3.86Å; F86-T497 HydrophobicContact CE1-CG2 4.03Å; F86-T497 HydrophobicContact CZ-CG2 3.93Å; F86-G499 WeakPolarHBondContact CD2-O 3.34Å; F86-G499 WeakPolarHBondContact CE2-O 3.18Å; F86-V500 HydrophobicContact CD1-CB 4.32Å; F86-V500 HydrophobicContact CD1-CG1 3.84Å; F86-V500 HydrophobicContact CE1-CB 4.46Å; F86-V500 HydrophobicContact CE1-CG1 3.56Å; F86-V500 HydrophobicContact CE2-CG1 4.45Å; F86-V500 HydrophobicContact CG-CG1 4.42Å; F86-V500 HydrophobicContact CZ-CG1 3.9Å; F86-F504 HydrophobicContact CB-CD1 3.84Å; F86-F504 HydrophobicContact CB-CE1 3.94Å; F86-F504 AromaticContact CD1-CE1 3.95Å; F86-F504 HydrophobicContact CD1-CE1 3.95Å; F86-F504 HydrophobicContact CG-CE1 4.35Å; F86-F504 WeakPolarHBondContact O-CD1 3.4Å; F86-F504 WeakPolarHBondContact O-CE1 3.28Å
87A98.9Very high97.5Very high0 Ų022.7 Ų22.70%013%0.129CC..Hα-helixtrans-64.3-43.3175.300000112.4F54 S83 A84 V85 D89 A90 V91 G503F54-A87 HydrophobicContact CB-CB 4.37Å; F54-A87 HydrophobicContact CD1-CB 3.39Å; F54-A87 HydrophobicContact CD2-CB 3.95Å; F54-A87 HydrophobicContact CE1-CB 3.52Å; F54-A87 HydrophobicContact CE2-CB 4.08Å; F54-A87 HydrophobicContact CG-CB 3.61Å; F54-A87 HydrophobicContact CZ-CB 3.87Å; S83-A87 WeakPolarHBondContact O-CB 3.4Å; S83-A87 PolarHBondContact O-N 2.81Å; A84-A87 PolarHBondContact O-N 3.31Å; V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 3.11Å; A87-D89 VanDerWaalsContact C-N 3.32Å; A87-D89 PolarHBondContact O-N 3.42Å; A87-A90 PolarHBondContact O-N 3.06Å; A87-V91 WeakPolarHBondContact O-CG2 3.38Å; A87-V91 PolarHBondContact O-N 3.07Å; A87-G503 WeakPolarHBondContact CA-O 3.18Å; A87-G503 VanDerWaalsContact CB-O 3.22Å; A87-G503 WeakPolarHBondContact CB-O 3.32Å
88A98.9Very high97.6Very high0 Ų020.7 Ų20.70%012%0.119CC..Hα-helixtrans-60.7-40.4171.900000112.2F54 A84 V85 V91 S92 G99 A101 V126F54-A88 HydrophobicContact CD2-CB 4.06Å; A84-A88 PolarHBondContact O-N 3.12Å; V85-A88 PolarHBondContact O-N 2.83Å; A88-V91 PolarHBondContact O-N 3.23Å; A88-S92 PolarHBondContact O-N 3.46Å; A88-S92 PolarHBondContact O-OG 3.29Å; A88-G99 WeakPolarHBondContact O-CA 3.5Å; A88-A101 HydrophobicContact CB-CB 4.08Å; A88-V126 HydrophobicContact CB-CG1 4.09Å
89D98.7Very high97.6Very high0 Ų020.4 Ų20.40%012%0.117CC..Hα-helixtrans-60.3-51.8175.3-176.511000110.8V85 F86 A87 V91 S92 R93 N118 A119 S124 V126 F504V85-D89 WeakPolarHBondContact O-CB 3.35Å; V85-D89 PolarHBondContact O-N 3.31Å; F86-D89 WeakPolarHBondContact O-CB 3.5Å; F86-D89 PolarHBondContact O-N 3.02Å; A87-D89 VanDerWaalsContact C-N 3.32Å; A87-D89 PolarHBondContact O-N 3.42Å; D89-V91 VanDerWaalsContact C-N 3.26Å; D89-V91 PolarHBondContact O-N 3.02Å; D89-S92 VanDerWaalsContact O-CB 3.32Å; D89-S92 WeakPolarHBondContact O-CB 3.15Å; D89-S92 PolarHBondContact O-N 2.65Å; D89-R93 VanDerWaalsContact O-CG 3.32Å; D89-R93 WeakPolarHBondContact O-CG 3.24Å; D89-R93 PolarHBondContact O-N 3.15Å; D89-R93 IonicContact OD1-CZ 3.84Å; D89-R93 IonicContact OD1-NE 3.73Å; D89-R93 PolarHBondContact OD1-NE 2.92Å; D89-R93 IonicContact OD1-NH2 3.84Å; D89-R93 PolarHBondContact OD1-NH2 3.5Å; D89-R93 IonicContact OD2-CZ 3.13Å; D89-R93 IonicContact OD2-NE 3.39Å; D89-R93 IonicContact OD2-NH2 2.78Å; D89-R93 PolarHBondContact OD2-NH2 2.9Å; D89-N118 PolarHBondContact OD2-ND2 2.94Å; D89-A119 HydrophobicContact CB-CB 4.25Å; D89-S124 WeakPolarHBondContact OD1-CB 3.44Å; D89-S124 PolarHBondContact OD1-OG 3.22Å; D89-S124 VanDerWaalsContact OD1-OG 3.09Å; D89-V126 HydrophobicContact CB-CG2 4.24Å; D89-F504 HydrophobicContact CB-CE1 4.05Å
90A98.7Very high97.6Very high0 Ų014.2 Ų14.20%09%0.094CC..Hα-helixtrans-56.9-38.6176.600000113.3F86 A87 S92 R93 L94 L490 F504F86-A90 PolarHBondContact O-N 3.21Å; A87-A90 PolarHBondContact O-N 3.06Å; A90-S92 VanDerWaalsContact C-N 3.34Å; A90-R93 WeakPolarHBondContact O-CB 3.2Å; A90-R93 PolarHBondContact O-N 3.44Å; A90-L94 WeakPolarHBondContact O-CB 3.47Å; A90-L94 VanDerWaalsContact O-CG 3.32Å; A90-L94 WeakPolarHBondContact O-CG 3.4Å; A90-L94 PolarHBondContact O-N 2.9Å; A90-L490 HydrophobicContact CB-CD1 3.84Å; A90-F504 HydrophobicContact CB-CB 4.19Å; A90-F504 HydrophobicContact CB-CD1 3.84Å; A90-F504 HydrophobicContact CB-CE1 4.48Å; A90-F504 HydrophobicContact CB-CG 4.13Å
91V98.5Very high97.7Very high8 Ų811.6 Ų11.65%0.0488%0.08CC..Hα-helixtrans-63.8-43.5176.5167.20000111.1F52 F54 A87 A88 D89 R93 L94 S95F52-V91 HydrophobicContact CE2-CB 4.23Å; F52-V91 HydrophobicContact CE2-CG1 3.83Å; F52-V91 HydrophobicContact CE2-CG2 3.42Å; F52-V91 VanDerWaalsContact CE2-CG2 3.42Å; F52-V91 HydrophobicContact CZ-CG1 4.24Å; F52-V91 HydrophobicContact CZ-CG2 3.93Å; F54-V91 HydrophobicContact CE2-CG2 3.75Å; F54-V91 HydrophobicContact CZ-CG2 3.8Å; A87-V91 WeakPolarHBondContact O-CG2 3.38Å; A87-V91 PolarHBondContact O-N 3.07Å; A88-V91 PolarHBondContact O-N 3.23Å; D89-V91 VanDerWaalsContact C-N 3.26Å; D89-V91 PolarHBondContact O-N 3.02Å; V91-R93 PolarHBondContact O-N 3.47Å; V91-L94 PolarHBondContact O-N 3.46Å; V91-S95 WeakPolarHBondContact O-CB 3.29Å; V91-S95 PolarHBondContact O-N 3.45Å; V91-S95 PolarHBondContact O-OG 3.12Å
92S98.2Very high97.7Very high7 Ų710.7 Ų10.75%0.0498%0.076CC..Hα-helixtrans-59.9-40.9176.8-49.40000111.2A88 D89 A90 G96 S97 G99 P125A88-S92 PolarHBondContact O-N 3.46Å; A88-S92 PolarHBondContact O-OG 3.29Å; D89-S92 VanDerWaalsContact O-CB 3.32Å; D89-S92 WeakPolarHBondContact O-CB 3.15Å; D89-S92 PolarHBondContact O-N 2.65Å; A90-S92 VanDerWaalsContact C-N 3.34Å; S92-G96 PolarHBondContact O-N 3.19Å; S92-S97 VanDerWaalsContact CA-O 3.27Å; S92-S97 WeakPolarHBondContact CA-O 3.39Å; S92-G99 WeakPolarHBondContact OG-CA 3.41Å; S92-G99 PolarHBondContact OG-N 3.27Å; S92-P125 PolarHBondContact OG-O 3.24Å
93R97Very high97.7Very high9 Ų910 Ų103%0.0347%0.07CC..Hα-helixtrans-70.4-34.6-178.8-69.2-177-167.8-159.316114D89 A90 V91 N118 A122 S124 M313 L487 L490 D491D89-R93 VanDerWaalsContact O-CG 3.32Å; D89-R93 WeakPolarHBondContact O-CG 3.24Å; D89-R93 PolarHBondContact O-N 3.15Å; D89-R93 IonicContact OD1-CZ 3.84Å; D89-R93 IonicContact OD1-NE 3.73Å; D89-R93 PolarHBondContact OD1-NE 2.92Å; D89-R93 IonicContact OD1-NH2 3.84Å; D89-R93 PolarHBondContact OD1-NH2 3.5Å; D89-R93 IonicContact OD2-CZ 3.13Å; D89-R93 IonicContact OD2-NE 3.39Å; D89-R93 IonicContact OD2-NH2 2.78Å; D89-R93 PolarHBondContact OD2-NH2 2.9Å; A90-R93 WeakPolarHBondContact O-CB 3.2Å; A90-R93 PolarHBondContact O-N 3.44Å; V91-R93 PolarHBondContact O-N 3.47Å; R93-N118 PolarHBondContact NH2-ND2 2.95Å; R93-N118 VanDerWaalsContact NH2-ND2 3.19Å; R93-A122 VanDerWaalsContact CZ-CB 3.45Å; R93-S124 WeakPolarHBondContact CG-OG 3.42Å; R93-S124 PolarHBondContact NE-OG 3.29Å; R93-M313 HydrophobicContact CB-CE 3.36Å; R93-M313 HydrophobicContact CB-SD 3.95Å; R93-M313 HydrophobicContact CG-CE 3.6Å; R93-M313 HydrophobicContact CG-SD 3.51Å; R93-M313 VanDerWaalsContact CG-SD 3.51Å; R93-M313 VanDerWaalsContact O-CE 3.3Å; R93-M313 WeakPolarHBondContact O-CE 3.16Å; R93-L487 WeakPolarHBondContact O-CD2 3.09Å; R93-L490 HydrophobicContact CB-CD2 3.9Å; R93-D491 PolarHBondContact NH1-O 2.84Å
94L97.3Very high97.7Very high14 Ų1410.4 Ų10.47%0.0737%0.072CC..Hα-helixtrans-97.9-27.1-172.7-67.3173.9000114.1A90 V91 I465 L487 L490 A508 C511A90-L94 WeakPolarHBondContact O-CB 3.47Å; A90-L94 VanDerWaalsContact O-CG 3.32Å; A90-L94 WeakPolarHBondContact O-CG 3.4Å; A90-L94 PolarHBondContact O-N 2.9Å; V91-L94 PolarHBondContact O-N 3.46Å; L94-I465 HydrophobicContact CD1-CD1 4.25Å; L94-L487 HydrophobicContact CD2-CB 3.98Å; L94-L487 WeakPolarHBondContact CD2-O 3.37Å; L94-L490 HydrophobicContact CD1-CD1 3.97Å; L94-L490 HydrophobicContact CD2-CD2 4.29Å; L94-L490 HydrophobicContact CG-CD1 4.36Å; L94-L490 HydrophobicContact CG-CD2 4.36Å; L94-A508 VanDerWaalsContact CD1-CA 3.43Å; L94-A508 HydrophobicContact CD1-CB 3.54Å; L94-C511 HydrophobicContact CB-CB 4.18Å; L94-C511 HydrophobicContact CD1-CB 4.42Å
95S94.8Very high97.6Very high57 Ų5710.4 Ų10.440%0.3997%0.072SC..Hα-helixtrans-98.1-21.5-178.667.70000113.8V91 S97V91-S95 WeakPolarHBondContact O-CB 3.29Å; V91-S95 PolarHBondContact O-N 3.45Å; V91-S95 PolarHBondContact O-OG 3.12Å; S95-S97 PolarHBondContact O-N 3.14Å; S95-S97 WeakPolarHBondContact OG-CB 3.46Å; S95-S97 PolarHBondContact OG-N 3.46Å; S95-S97 VanDerWaalsContact OG-N 3.11Å
96G90.4Very high97.4Very high27 Ų2710.5 Ų10.528%0.2787%0.073SC..SBendtrans73.43.8-168.300000114S92S92-G96 PolarHBondContact O-N 3.19Å
97S93Very high97.3Very high65 Ų6513.5 Ų13.546%0.4559%0.094SC..SBendtrans-98.1-177.3176.1-64.60000111.5S92 S95S92-S97 VanDerWaalsContact CA-O 3.27Å; S92-S97 WeakPolarHBondContact CA-O 3.39Å; S95-S97 PolarHBondContact O-N 3.14Å; S95-S97 WeakPolarHBondContact OG-CB 3.46Å; S95-S97 PolarHBondContact OG-N 3.46Å; S95-S97 VanDerWaalsContact OG-N 3.11Å
98V98.3Very high97.3Very high11 Ų1113.6 Ų13.67%0.0679%0.094CC..  trans-86.1123.7175.91780000110.1V100 P125 V127 F176 Q180V98-V100 HydrophobicContact CG1-CG2 4.43Å; V98-P125 WeakPolarHBondContact CA-O 3.07Å; V98-P125 WeakPolarHBondContact CG1-O 3.45Å; V98-P125 HydrophobicContact CG2-CB 4.28Å; V98-V127 HydrophobicContact CG1-CB 3.94Å; V98-V127 HydrophobicContact CG1-CG2 3.48Å; V98-V127 VanDerWaalsContact CG1-CG2 3.48Å; V98-F176 HydrophobicContact CB-CD1 3.75Å; V98-F176 HydrophobicContact CB-CE1 3.72Å; V98-F176 HydrophobicContact CG1-CD1 3.81Å; V98-F176 HydrophobicContact CG1-CE1 3.65Å; V98-F176 HydrophobicContact CG1-CZ 4.43Å; V98-F176 HydrophobicContact CG2-CD1 3.76Å; V98-F176 HydrophobicContact CG2-CE1 4.27Å; V98-Q180 HydrophobicContact CG2-CG 3.37Å
99G98.7Very high97.2Very high1 Ų113.6 Ų13.61%0.019%0.094CC..EExtended strand (participates in β ladder)trans-78.6143.5167.100000111.8A88 S92 P125 V126 V127A88-G99 WeakPolarHBondContact O-CA 3.5Å; S92-G99 WeakPolarHBondContact OG-CA 3.41Å; S92-G99 PolarHBondContact OG-N 3.27Å; G99-P125 PolarHBondContact N-O 2.63Å; G99-V126 WeakPolarHBondContact O-CA 3.13Å; G99-V127 PolarHBondContact O-N 2.78Å
100V98.9Very high97.2Very high1 Ų116 Ų161%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-124.7124.8-175.7-1780000110.7L45 V50 I53 F54 V98 V102 V127 L129 F176L45-V100 HydrophobicContact CD2-CG1 3.99Å; L45-V100 HydrophobicContact CD2-CG2 4.09Å; V50-V100 HydrophobicContact CG1-CB 4.27Å; V50-V100 HydrophobicContact CG1-CG2 3.89Å; V50-V100 HydrophobicContact CG2-CG2 3.93Å; I53-V100 HydrophobicContact CB-CG1 4.43Å; I53-V100 HydrophobicContact CG2-CB 3.96Å; I53-V100 HydrophobicContact CG2-CG1 3.71Å; F54-V100 PolarHBondContact N-O 2.96Å; F54-V100 VanDerWaalsContact N-O 3.08Å; V98-V100 HydrophobicContact CG1-CG2 4.43Å; V100-V102 HydrophobicContact CG1-CG2 4.28Å; V100-V127 WeakPolarHBondContact CA-O 3.36Å; V100-V127 HydrophobicContact CG2-CB 4.42Å; V100-L129 HydrophobicContact CG1-CD1 4.2Å; V100-L129 HydrophobicContact CG1-CG 4.32Å; V100-F176 HydrophobicContact CG2-CE1 4.15Å; V100-F176 HydrophobicContact CG2-CZ 3.77Å
101A98.9Very high97.2Very high0 Ų019.9 Ų19.90%013%0.13CC..EExtended strand (participates in β ladder)trans-117.2142.5171.300000110F54 A84 V85 A88 V127 L128 L129F54-A101 CarbonylContact O-C 3.57Å; F54-A101 VanDerWaalsContact O-CA 3.31Å; F54-A101 WeakPolarHBondContact O-CA 3.48Å; A84-A101 HydrophobicContact CB-CB 4.42Å; V85-A101 HydrophobicContact CG2-CB 3.86Å; A88-A101 HydrophobicContact CB-CB 4.08Å; A101-V127 PolarHBondContact N-O 3.48Å; A101-V127 VanDerWaalsContact N-O 3.08Å; A101-L128 HydrophobicContact CB-CD1 3.87Å; A101-L128 WeakPolarHBondContact O-CA 3.05Å; A101-L129 PolarHBondContact O-N 3.43Å
102V98.8Very high97.2Very high0 Ų019.5 Ų19.50%013%0.127CC..EExtended strand (participates in β ladder)trans-127.7118.2-177.9-171.90000109.1I53 F54 T55 I61 I64 L65 V100 L129I53-V102 HydrophobicContact CB-CG2 4.17Å; I53-V102 HydrophobicContact CD1-CG2 3.88Å; F54-V102 PolarHBondContact O-N 3.41Å; T55-V102 VanDerWaalsContact CA-O 3.24Å; T55-V102 WeakPolarHBondContact CA-O 3.23Å; T55-V102 WeakPolarHBondContact CB-O 3.26Å; T55-V102 PolarHBondContact OG1-O 3.02Å; I61-V102 HydrophobicContact CB-CG1 3.77Å; I61-V102 HydrophobicContact CD1-CG1 4.33Å; I61-V102 HydrophobicContact CG1-CG1 4.11Å; I61-V102 HydrophobicContact CG2-CG1 3.96Å; I64-V102 HydrophobicContact CD1-CG1 4.38Å; I64-V102 HydrophobicContact CG2-CG1 4.26Å; L65-V102 HydrophobicContact CD2-CB 4.42Å; L65-V102 HydrophobicContact CD2-CG1 4.28Å; V100-V102 HydrophobicContact CG1-CG2 4.28Å; V102-L129 CarbonylContact C-O 3.5Å; V102-L129 VanDerWaalsContact CA-O 3.3Å; V102-L129 WeakPolarHBondContact CA-O 3.49Å; V102-L129 HydrophobicContact CG1-CB 4.27Å; V102-L129 HydrophobicContact CG2-CB 4.14Å; V102-L129 HydrophobicContact CG2-CD1 4.01Å; V102-L129 HydrophobicContact CG2-CG 4.32Å
103V98.5Very high97.2Very high0 Ų021.3 Ų21.30%014%0.138CC..EExtended strand (participates in β ladder)trans-131.9149.7-173.4-61.70000112.2I61 E81 L109 T112 L128 L129 A130 G131I61-V103 VanDerWaalsContact CG2-O 3.27Å; I61-V103 WeakPolarHBondContact CG2-O 3.23Å; E81-V103 HydrophobicContact CB-CG1 4.18Å; E81-V103 HydrophobicContact CG-CG1 4.33Å; V103-L109 HydrophobicContact CG2-CB 4.16Å; V103-L109 HydrophobicContact CG2-CD1 3.9Å; V103-T112 HydrophobicContact CG1-CG2 3.89Å; V103-T112 HydrophobicContact CG2-CG2 4.35Å; V103-L128 HydrophobicContact CG1-CD1 4.23Å; V103-L128 HydrophobicContact CG2-CD1 3.78Å; V103-L128 HydrophobicContact CG2-CG 4.46Å; V103-L129 PolarHBondContact N-O 2.95Å; V103-A130 HydrophobicContact CG2-CB 4.27Å; V103-A130 WeakPolarHBondContact O-CA 3.15Å; V103-G131 PolarHBondContact O-N 3.06Å
104T97.8Very high97.3Very high12 Ų1224.1 Ų24.17%0.07416%0.157CC..  trans-69165.6175.7-170.80000112H60 G108 L109 Q144H60-T104 PolarHBondContact ND1-OG1 2.9Å; H60-T104 VanDerWaalsContact ND1-OG1 3.12Å; T104-G108 CarbonylContact O-C 3.52Å; T104-L109 PolarHBondContact O-N 3.21Å; T104-Q144 PolarHBondContact OG1-OE1 3.45Å
105A96.8Very high97.3Very high0 Ų023.5 Ų23.50%015%0.153CC..THydrogen-bonded Turntrans-61.2163.3178.300000113.3H60 P107 G108 G131 Q144H60-A105 HydrophobicContact CB-CB 4.43Å; A105-P107 VanDerWaalsContact O-CD 3.31Å; A105-P107 WeakPolarHBondContact O-CD 3.47Å; A105-P107 VanDerWaalsContact O-N 3.15Å; A105-G108 PolarHBondContact O-N 3.35Å; A105-G131 WeakPolarHBondContact CA-O 3.33Å; A105-G131 WeakPolarHBondContact CB-O 3.45Å; A105-Q144 HydrophobicContact CB-CB 3.97Å; A105-Q144 PolarHBondContact O-OE1 3.38Å; A105-Q144 VanDerWaalsContact O-OE1 3.07Å
106G95.7Very high97.5Very high2 Ų220.8 Ų20.82%0.02113%0.134CC..THydrogen-bonded Turntrans57.1-113.3171.400000111.9G108 L109 T110 Q144G106-G108 VanDerWaalsContact C-N 3.29Å; G106-G108 PolarHBondContact O-N 3.04Å; G106-L109 PolarHBondContact O-N 3.22Å; G106-L109 VanDerWaalsContact O-N 3.09Å; G106-T110 PolarHBondContact O-N 3.02Å; G106-T110 PolarHBondContact O-OG1 2.97Å; G106-Q144 WeakPolarHBondContact CA-O 3.49Å
107P96.8Very high97.9Very high70 Ų7022.2 Ų22.246%0.45513%0.133SC..Hα-helixtrans-51.2-43.8-178.5-27.135.5000114.1A105 L109 T110 N111 Q144A105-P107 VanDerWaalsContact O-CD 3.31Å; A105-P107 WeakPolarHBondContact O-CD 3.47Å; A105-P107 VanDerWaalsContact O-N 3.15Å; P107-L109 VanDerWaalsContact C-N 3.28Å; P107-L109 PolarHBondContact O-N 2.94Å; P107-T110 VanDerWaalsContact CA-OG1 3.29Å; P107-T110 WeakPolarHBondContact CA-OG1 3.46Å; P107-T110 PolarHBondContact O-N 2.94Å; P107-T110 PolarHBondContact O-OG1 2.9Å; P107-N111 WeakPolarHBondContact O-CB 3.48Å; P107-N111 PolarHBondContact O-N 2.86Å; P107-Q144 HydrophobicContact CG-CG 4.48Å
108G97.6Very high98.2Very high1 Ų119.1 Ų19.11%0.0111%0.111CC..Hα-helixtrans-63.9-36.6-177.600000112.3E81 T104 A105 G106 T112E81-G108 VanDerWaalsContact CB-O 3.28Å; E81-G108 WeakPolarHBondContact CB-O 3.31Å; E81-G108 VanDerWaalsContact CG-O 3.31Å; E81-G108 WeakPolarHBondContact CG-O 3.46Å; E81-G108 WeakPolarHBondContact OE1-CA 3.36Å; T104-G108 CarbonylContact O-C 3.52Å; A105-G108 PolarHBondContact O-N 3.35Å; G106-G108 VanDerWaalsContact C-N 3.29Å; G106-G108 PolarHBondContact O-N 3.04Å; G108-T112 WeakPolarHBondContact O-CG2 3.3Å
109L98.3Very high98.2Very high0 Ų018.6 Ų18.60%011%0.108CC..Hα-helixtrans-74.8-47.7172.5179.560.8000111.5V103 T104 G106 P107 N111 T112 L128 A130 Q148 F152 L188V103-L109 HydrophobicContact CG2-CB 4.16Å; V103-L109 HydrophobicContact CG2-CD1 3.9Å; T104-L109 PolarHBondContact O-N 3.21Å; G106-L109 PolarHBondContact O-N 3.22Å; G106-L109 VanDerWaalsContact O-N 3.09Å; P107-L109 VanDerWaalsContact C-N 3.28Å; P107-L109 PolarHBondContact O-N 2.94Å; L109-N111 VanDerWaalsContact C-N 3.26Å; L109-N111 PolarHBondContact O-N 2.92Å; L109-T112 WeakPolarHBondContact O-CB 3.5Å; L109-T112 PolarHBondContact O-N 3.45Å; L109-T112 PolarHBondContact O-OG1 2.95Å; L109-L128 HydrophobicContact CD1-CD2 3.61Å; L109-L128 HydrophobicContact CD1-CG 4.24Å; L109-A130 HydrophobicContact CD1-CB 3.91Å; L109-A130 HydrophobicContact CD2-CB 3.88Å; L109-A130 HydrophobicContact CG-CB 4.3Å; L109-Q148 HydrophobicContact CD2-CB 3.54Å; L109-Q148 HydrophobicContact CD2-CG 3.77Å; L109-F152 HydrophobicContact CD1-CD2 4.35Å; L109-F152 HydrophobicContact CD1-CE1 3.9Å; L109-F152 HydrophobicContact CD1-CE2 3.76Å; L109-F152 HydrophobicContact CD1-CZ 3.51Å; L109-F152 HydrophobicContact CD2-CD2 4.11Å; L109-F152 HydrophobicContact CD2-CE2 3.89Å; L109-F152 HydrophobicContact CD2-CZ 4.5Å; L109-F152 HydrophobicContact CG-CD2 4.14Å; L109-F152 HydrophobicContact CG-CE2 3.45Å; L109-F152 VanDerWaalsContact CG-CE2 3.45Å; L109-F152 HydrophobicContact CG-CZ 3.68Å; L109-F152 VanDerWaalsContact O-CZ 3.27Å; L109-F152 WeakPolarHBondContact O-CZ 3.48Å; L109-L188 HydrophobicContact CD1-CD1 3.99Å; L109-L188 HydrophobicContact CD2-CD2 4.38Å
110T98.2Very high98.1Very high51 Ų5121 Ų2131%0.31312%0.119SC..Hα-helixtrans-64.6-28.5-175.752.90000113.4G106 P107 T112 V113 I146G106-T110 PolarHBondContact O-N 3.02Å; G106-T110 PolarHBondContact O-OG1 2.97Å; P107-T110 VanDerWaalsContact CA-OG1 3.29Å; P107-T110 WeakPolarHBondContact CA-OG1 3.46Å; P107-T110 PolarHBondContact O-N 2.94Å; P107-T110 PolarHBondContact O-OG1 2.9Å; T110-T112 PolarHBondContact O-N 3.24Å; T110-V113 VanDerWaalsContact O-CG2 3.28Å; T110-V113 WeakPolarHBondContact O-CG2 3.33Å; T110-V113 PolarHBondContact O-N 3.12Å; T110-I146 HydrophobicContact CG2-CD1 3.64Å
111N98.3Very high98Very high81 Ų8124 Ų2443%0.43313%0.134SC..THydrogen-bonded Turntrans-63.5-16.7172.3-75.7-7.1000113.1E81 P107 L109E81-N111 HydrophobicContact CB-CB 4.02Å; E81-N111 PolarHBondContact OE2-ND2 2.71Å; P107-N111 WeakPolarHBondContact O-CB 3.48Å; P107-N111 PolarHBondContact O-N 2.86Å; L109-N111 VanDerWaalsContact C-N 3.26Å; L109-N111 PolarHBondContact O-N 2.92Å
112T98.7Very high97.9Very high0 Ų024.6 Ų24.60%014%0.139CC..THydrogen-bonded Turntrans-89-7.1-179.871.50000115E81 V85 V103 G108 L109 T110 T114 A115 V116 F152E81-T112 HydrophobicContact CB-CG2 3.77Å; V85-T112 HydrophobicContact CG2-CG2 3.7Å; V103-T112 HydrophobicContact CG1-CG2 3.89Å; V103-T112 HydrophobicContact CG2-CG2 4.35Å; G108-T112 WeakPolarHBondContact O-CG2 3.3Å; L109-T112 WeakPolarHBondContact O-CB 3.5Å; L109-T112 PolarHBondContact O-N 3.45Å; L109-T112 PolarHBondContact O-OG1 2.95Å; T110-T112 PolarHBondContact O-N 3.24Å; T112-T114 VanDerWaalsContact C-N 3.32Å; T112-T114 PolarHBondContact O-N 3.03Å; T112-A115 PolarHBondContact O-N 2.87Å; T112-V116 PolarHBondContact O-N 2.87Å; T112-F152 WeakPolarHBondContact OG1-CE1 3.34Å; T112-F152 WeakPolarHBondContact OG1-CZ 3.15Å
113V98.6Very high97.8Very high46 Ų4625.7 Ų25.728%0.27914%0.144SC..Hα-helixtrans-52.3-48.8-170.6165.40000112.2T110 A115 V116 K117 V151 F152 I155T110-V113 VanDerWaalsContact O-CG2 3.28Å; T110-V113 WeakPolarHBondContact O-CG2 3.33Å; T110-V113 PolarHBondContact O-N 3.12Å; V113-A115 PolarHBondContact O-N 2.83Å; V113-V116 PolarHBondContact O-N 2.85Å; V113-K117 WeakPolarHBondContact O-CB 3.27Å; V113-K117 PolarHBondContact O-N 3.23Å; V113-V151 HydrophobicContact CG2-CG1 3.8Å; V113-F152 HydrophobicContact CG2-CE1 4.34Å; V113-F152 HydrophobicContact CG2-CE2 3.87Å; V113-F152 HydrophobicContact CG2-CZ 3.6Å; V113-I155 HydrophobicContact CB-CD1 4.41Å; V113-I155 HydrophobicContact CG1-CD1 4.03Å
114T98.4Very high97.7Very high68 Ų6826 Ų2642%0.41715%0.145SC..Hα-helixtrans-62.6-44.1179.8-55.20000111.8T112 K117 N118 F495 T497T112-T114 VanDerWaalsContact C-N 3.32Å; T112-T114 PolarHBondContact O-N 3.03Å; T114-K117 PolarHBondContact O-N 3.12Å; T114-N118 PolarHBondContact O-N 2.94Å; T114-F495 HydrophobicContact CG2-CE1 3.92Å; T114-T497 WeakPolarHBondContact CG2-OG1 3.25Å
115A98.7Very high97.7Very high0 Ų025.8 Ų25.80%015%0.145CC..Hα-helixtrans-68.5-37.7179.900000112.6A82 V85 F86 T112 V113 N118 A119A82-A115 HydrophobicContact CB-CB 4.25Å; V85-A115 HydrophobicContact CB-CB 3.65Å; V85-A115 HydrophobicContact CG1-CB 3.65Å; F86-A115 HydrophobicContact CD1-CB 3.82Å; F86-A115 HydrophobicContact CD2-CB 4.1Å; F86-A115 VanDerWaalsContact CE1-CA 3.48Å; F86-A115 HydrophobicContact CE1-CB 3.56Å; F86-A115 HydrophobicContact CE2-CB 3.88Å; F86-A115 HydrophobicContact CG-CB 4.07Å; F86-A115 HydrophobicContact CZ-CB 3.6Å; T112-A115 PolarHBondContact O-N 2.87Å; V113-A115 PolarHBondContact O-N 2.83Å; A115-N118 WeakPolarHBondContact O-CB 3.21Å; A115-N118 PolarHBondContact O-N 3.21Å; A115-A119 PolarHBondContact O-N 2.87Å
116V98.8Very high97.8Very high1 Ų125.8 Ų25.81%0.00615%0.145CC..Hα-helixtrans-66-41.7173.6171.90000110.9V85 T112 V113 N118 A119 Q120 L128 F152 I155 P186V85-V116 HydrophobicContact CG1-CG2 3.91Å; V85-V116 HydrophobicContact CG2-CG2 4.42Å; T112-V116 PolarHBondContact O-N 2.87Å; V113-V116 PolarHBondContact O-N 2.85Å; V116-N118 VanDerWaalsContact C-N 3.29Å; V116-N118 PolarHBondContact O-N 3.21Å; V116-A119 PolarHBondContact O-N 3.26Å; V116-Q120 WeakPolarHBondContact O-CB 3.3Å; V116-Q120 PolarHBondContact O-N 2.77Å; V116-L128 HydrophobicContact CG2-CD2 3.63Å; V116-F152 HydrophobicContact CB-CE1 4.2Å; V116-F152 HydrophobicContact CG1-CD1 4.26Å; V116-F152 HydrophobicContact CG1-CE1 4.4Å; V116-F152 HydrophobicContact CG2-CD1 4.43Å; V116-F152 HydrophobicContact CG2-CE1 3.88Å; V116-I155 HydrophobicContact CB-CD1 4.03Å; V116-I155 HydrophobicContact CG1-CB 4.39Å; V116-I155 HydrophobicContact CG1-CD1 3.85Å; V116-I155 HydrophobicContact CG1-CG1 3.9Å; V116-P186 HydrophobicContact CG1-CB 4.05Å; V116-P186 HydrophobicContact CG1-CG 3.94Å
117K98.6Very high98Very high57 Ų5725.7 Ų25.725%0.24814%0.144CC..Hα-helixtrans-62.2-39.5175.5-178.658-179.2178.90111.8V113 T114 Q120 M121 I155 F495V113-K117 WeakPolarHBondContact O-CB 3.27Å; V113-K117 PolarHBondContact O-N 3.23Å; T114-K117 PolarHBondContact O-N 3.12Å; K117-Q120 WeakPolarHBondContact O-CB 3.44Å; K117-Q120 PolarHBondContact O-N 3.02Å; K117-M121 HydrophobicContact CD-CG 4.35Å; K117-M121 HydrophobicContact CD-SD 4.48Å; K117-M121 VanDerWaalsContact CE-SD 3.6Å; K117-M121 PolarHBondContact O-N 3.44Å; K117-I155 HydrophobicContact CB-CG2 4.38Å; K117-I155 HydrophobicContact CD-CB 4.38Å; K117-I155 HydrophobicContact CD-CG2 3.86Å; K117-F495 HydrophobicContact CB-CD1 4.47Å; K117-F495 HydrophobicContact CB-CE1 3.99Å; K117-F495 HydrophobicContact CB-CZ 4.12Å; K117-F495 HydrophobicContact CG-CD1 4.14Å; K117-F495 HydrophobicContact CG-CD2 4.02Å; K117-F495 HydrophobicContact CG-CE1 3.78Å; K117-F495 HydrophobicContact CG-CE2 3.65Å; K117-F495 HydrophobicContact CG-CG 4.27Å; K117-F495 HydrophobicContact CG-CZ 3.52Å
118N98.3Very high98.1Very high0 Ų022.4 Ų22.40%012%0.122CC..Hα-helixtrans-57.9-53.4173-172.179.5000111.8F86 D89 R93 T114 A115 V116 Q120 M121 A122 P492 F495 T497F86-N118 HydrophobicContact CE1-CB 3.86Å; D89-N118 PolarHBondContact OD2-ND2 2.94Å; R93-N118 PolarHBondContact NH2-ND2 2.95Å; R93-N118 VanDerWaalsContact NH2-ND2 3.19Å; T114-N118 PolarHBondContact O-N 2.94Å; A115-N118 WeakPolarHBondContact O-CB 3.21Å; A115-N118 PolarHBondContact O-N 3.21Å; V116-N118 VanDerWaalsContact C-N 3.29Å; V116-N118 PolarHBondContact O-N 3.21Å; N118-Q120 VanDerWaalsContact C-N 3.27Å; N118-Q120 PolarHBondContact O-N 2.91Å; N118-M121 PolarHBondContact O-N 3.18Å; N118-M121 VanDerWaalsContact O-N 3.13Å; N118-A122 WeakPolarHBondContact O-CB 3.41Å; N118-A122 PolarHBondContact O-N 3.42Å; N118-P492 PolarHBondContact OD1-O 2.82Å; N118-F495 HydrophobicContact CB-CD1 4.2Å; N118-T497 HydrophobicContact CB-CG2 4.04Å; N118-T497 VanDerWaalsContact OD1-CG2 3.24Å; N118-T497 WeakPolarHBondContact OD1-CG2 3.26Å
119A98.3Very high98.2Very high0 Ų022.4 Ų22.40%012%0.122CC..Hα-helixtrans-59.7-36.7177.600000112.2D89 A115 V116 A122 E123 S124 V126D89-A119 HydrophobicContact CB-CB 4.25Å; A115-A119 PolarHBondContact O-N 2.87Å; V116-A119 PolarHBondContact O-N 3.26Å; A119-A122 CarbonylContact O-C 3.57Å; A119-A122 PolarHBondContact O-N 3.28Å; A119-E123 PolarHBondContact O-N 3.03Å; A119-E123 VanDerWaalsContact O-N 3.12Å; A119-S124 PolarHBondContact O-N 3.42Å; A119-V126 HydrophobicContact CB-CG2 4.05Å
120Q97.9Very high98.2Very high50 Ų5022.4 Ų22.423%0.23412%0.122CC..Hα-helixtrans-61.3-48.3174-169.8-165.355.900111.8V116 K117 N118 A122 E123 P154 I155 P186V116-Q120 WeakPolarHBondContact O-CB 3.3Å; V116-Q120 PolarHBondContact O-N 2.77Å; K117-Q120 WeakPolarHBondContact O-CB 3.44Å; K117-Q120 PolarHBondContact O-N 3.02Å; N118-Q120 VanDerWaalsContact C-N 3.27Å; N118-Q120 PolarHBondContact O-N 2.91Å; Q120-A122 VanDerWaalsContact C-N 3.3Å; Q120-A122 PolarHBondContact O-N 3.4Å; Q120-E123 PolarHBondContact O-N 2.72Å; Q120-E123 VanDerWaalsContact O-N 3.09Å; Q120-P154 PolarHBondContact NE2-O 3.13Å; Q120-P154 VanDerWaalsContact NE2-O 3.13Å; Q120-I155 WeakPolarHBondContact CB-O 3.39Å; Q120-I155 VanDerWaalsContact CD-O 3.26Å; Q120-I155 WeakPolarHBondContact CG-O 3.44Å; Q120-I155 VanDerWaalsContact NE2-CA 3.27Å; Q120-I155 PolarHBondContact NE2-O 3.03Å; Q120-I155 VanDerWaalsContact NE2-O 3.11Å; Q120-P186 VanDerWaalsContact CA-CD 3.42Å; Q120-P186 HydrophobicContact CB-CG 3.77Å; Q120-P186 HydrophobicContact CG-CG 4.39Å
121M96.6Very high98.1Very high66 Ų6620 Ų2033%0.32511%0.107SC..Hα-helixtrans-73.3-24.1-178.6-72.9-167.66200113.2K117 N118 E123 P494 F495K117-M121 HydrophobicContact CD-CG 4.35Å; K117-M121 HydrophobicContact CD-SD 4.48Å; K117-M121 VanDerWaalsContact CE-SD 3.6Å; K117-M121 PolarHBondContact O-N 3.44Å; N118-M121 PolarHBondContact O-N 3.18Å; N118-M121 VanDerWaalsContact O-N 3.13Å; M121-E123 VanDerWaalsContact C-N 3.26Å; M121-P494 HydrophobicContact CB-CG 4.22Å; M121-P494 HydrophobicContact CE-CB 3.99Å; M121-P494 HydrophobicContact CE-CG 4.04Å; M121-F495 HydrophobicContact CB-CB 4.2Å; M121-F495 HydrophobicContact CE-CB 4.25Å; M121-F495 HydrophobicContact CE-CD2 4.48Å; M121-F495 HydrophobicContact CG-CB 4.41Å; M121-F495 HydrophobicContact SD-CB 3.64Å; M121-F495 HydrophobicContact SD-CD2 3.4Å; M121-F495 WeakPolarHBondContact SD-CD2 3.27Å; M121-F495 HydrophobicContact SD-CE2 4.35Å; M121-F495 HydrophobicContact SD-CG 3.81Å
122A95.7Very high98.1Very high12 Ų1216.2 Ų16.210%0.0999%0.087CC..THydrogen-bonded Turntrans-83.10.8169.200000113.6R93 N118 A119 Q120 S124R93-A122 VanDerWaalsContact CZ-CB 3.45Å; N118-A122 WeakPolarHBondContact O-CB 3.41Å; N118-A122 PolarHBondContact O-N 3.42Å; A119-A122 CarbonylContact O-C 3.57Å; A119-A122 PolarHBondContact O-N 3.28Å; Q120-A122 VanDerWaalsContact C-N 3.3Å; Q120-A122 PolarHBondContact O-N 3.4Å; A122-S124 PolarHBondContact O-N 2.92Å; A122-S124 PolarHBondContact O-OG 3.24Å
123E96.6Very high97.9Very high23 Ų2316.4 Ų16.411%0.1079%0.089CC..THydrogen-bonded Turntrans5341.7-178-56.1179.1153.200112.4A119 Q120 M121 T183 P184 Q286 N372A119-E123 PolarHBondContact O-N 3.03Å; A119-E123 VanDerWaalsContact O-N 3.12Å; Q120-E123 PolarHBondContact O-N 2.72Å; Q120-E123 VanDerWaalsContact O-N 3.09Å; M121-E123 VanDerWaalsContact C-N 3.26Å; E123-T183 HydrophobicContact CB-CG2 4.07Å; E123-T183 VanDerWaalsContact CD-CG2 3.4Å; E123-T183 HydrophobicContact CG-CG2 3.77Å; E123-T183 WeakPolarHBondContact OE1-CG2 3.48Å; E123-P184 CarbonylContact C-O 3.56Å; E123-P184 VanDerWaalsContact CA-O 3.31Å; E123-P184 WeakPolarHBondContact CA-O 3.32Å; E123-P184 WeakPolarHBondContact O-CB 3.37Å; E123-Q286 PolarHBondContact OE1-NE2 3.47Å; E123-Q286 VanDerWaalsContact OE2-CG 3.25Å; E123-Q286 WeakPolarHBondContact OE2-CG 3.34Å; E123-Q286 PolarHBondContact OE2-NE2 2.52Å; E123-N372 PolarHBondContact OE1-ND2 3.28Å
124S97.6Very high97.6Very high5 Ų515.1 Ų15.14%0.0358%0.082CC..  trans-99.5129.9-174.7-64.70000111.7D89 R93 A119 A122 V126 G185D89-S124 WeakPolarHBondContact OD1-CB 3.44Å; D89-S124 PolarHBondContact OD1-OG 3.22Å; D89-S124 VanDerWaalsContact OD1-OG 3.09Å; R93-S124 WeakPolarHBondContact CG-OG 3.42Å; R93-S124 PolarHBondContact NE-OG 3.29Å; A119-S124 PolarHBondContact O-N 3.42Å; A122-S124 PolarHBondContact O-N 2.92Å; A122-S124 PolarHBondContact O-OG 3.24Å; S124-V126 PolarHBondContact O-N 3.08Å; S124-G185 CarbonylContact O-C 3.5Å; S124-G185 VanDerWaalsContact O-C 3.24Å; S124-G185 WeakPolarHBondContact O-CA 3.35Å
125P98.3Very high97.2Very high9 Ų913.3 Ų13.36%0.0588%0.077CC..  trans-76.591.9-178.331.1-35.2000111.6S92 V98 G99 A179 Q180 P184S92-P125 PolarHBondContact OG-O 3.24Å; V98-P125 WeakPolarHBondContact CA-O 3.07Å; V98-P125 WeakPolarHBondContact CG1-O 3.45Å; V98-P125 HydrophobicContact CG2-CB 4.28Å; G99-P125 PolarHBondContact N-O 2.63Å; P125-A179 HydrophobicContact CB-CB 4.15Å; P125-A179 WeakPolarHBondContact CB-O 3.49Å; P125-Q180 HydrophobicContact CB-CG 4Å; P125-P184 HydrophobicContact CB-CB 4Å; P125-P184 HydrophobicContact CG-CB 4.17Å
126V98.9Very high96.8Very high0 Ų014.4 Ų14.40%08%0.083CC..EExtended strand (participates in β ladder)trans-108.1132.6175.5175.40000110.7A88 D89 G99 A119 S124 P186 V187A88-V126 HydrophobicContact CB-CG1 4.09Å; D89-V126 HydrophobicContact CB-CG2 4.24Å; G99-V126 WeakPolarHBondContact O-CA 3.13Å; A119-V126 HydrophobicContact CB-CG2 4.05Å; S124-V126 PolarHBondContact O-N 3.08Å; V126-P186 HydrophobicContact CB-CB 4.24Å; V126-P186 CarbonylContact O-C 3.57Å; V126-P186 WeakPolarHBondContact O-CA 3.25Å; V126-V187 PolarHBondContact O-N 3.31Å
127V98.9Very high96.4Very high0 Ų018.3 Ų18.30%010%0.103CC..EExtended strand (participates in β ladder)trans-101.1112.9167.4169.30000108.4V98 G99 V100 A101 L129 F176 A179 V187V98-V127 HydrophobicContact CG1-CB 3.94Å; V98-V127 HydrophobicContact CG1-CG2 3.48Å; V98-V127 VanDerWaalsContact CG1-CG2 3.48Å; G99-V127 PolarHBondContact O-N 2.78Å; V100-V127 WeakPolarHBondContact CA-O 3.36Å; V100-V127 HydrophobicContact CG2-CB 4.42Å; A101-V127 PolarHBondContact N-O 3.48Å; A101-V127 VanDerWaalsContact N-O 3.08Å; V127-L129 HydrophobicContact CG1-CD2 3.44Å; V127-L129 VanDerWaalsContact CG1-CD2 3.44Å; V127-L129 HydrophobicContact CG1-CG 4.17Å; V127-F176 HydrophobicContact CB-CE2 4.47Å; V127-F176 HydrophobicContact CB-CZ 4.46Å; V127-F176 HydrophobicContact CG1-CE2 4.19Å; V127-F176 HydrophobicContact CG2-CD1 4.38Å; V127-F176 HydrophobicContact CG2-CD2 4.12Å; V127-F176 HydrophobicContact CG2-CE1 4.43Å; V127-F176 HydrophobicContact CG2-CE2 4.17Å; V127-F176 HydrophobicContact CG2-CG 4.21Å; V127-F176 HydrophobicContact CG2-CZ 4.32Å; V127-A179 HydrophobicContact CG2-CB 4.23Å; V127-V187 HydrophobicContact CB-CG2 4.24Å; V127-V187 HydrophobicContact CG2-CG2 3.59Å
128L98.9Very high95.9Very high1 Ų120.9 Ų20.91%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-96.9117174.1-177.757.6000109.5V85 A101 V103 L109 V116 F152 V187 L188 V189V85-L128 HydrophobicContact CG2-CD1 3.97Å; A101-L128 HydrophobicContact CB-CD1 3.87Å; A101-L128 WeakPolarHBondContact O-CA 3.05Å; V103-L128 HydrophobicContact CG1-CD1 4.23Å; V103-L128 HydrophobicContact CG2-CD1 3.78Å; V103-L128 HydrophobicContact CG2-CG 4.46Å; L109-L128 HydrophobicContact CD1-CD2 3.61Å; L109-L128 HydrophobicContact CD1-CG 4.24Å; V116-L128 HydrophobicContact CG2-CD2 3.63Å; L128-F152 HydrophobicContact CD2-CD1 4.46Å; L128-F152 HydrophobicContact CD2-CE1 4Å; L128-V187 PolarHBondContact N-O 3.33Å; L128-L188 HydrophobicContact CB-CD1 4.2Å; L128-L188 HydrophobicContact CD2-CD1 4.05Å; L128-L188 HydrophobicContact CG-CD1 3.88Å; L128-L188 WeakPolarHBondContact O-CA 3.44Å; L128-V189 PolarHBondContact O-N 3.46Å
129L98.9Very high95.5Very high0 Ų024.4 Ų24.40%015%0.148CC..EExtended strand (participates in β ladder)trans-99.7119.9175.1-49.5-175.1000108.5V41 V100 A101 V102 V103 V127 L172 V189 F191V41-L129 HydrophobicContact CG1-CD1 3.74Å; V100-L129 HydrophobicContact CG1-CD1 4.2Å; V100-L129 HydrophobicContact CG1-CG 4.32Å; A101-L129 PolarHBondContact O-N 3.43Å; V102-L129 CarbonylContact C-O 3.5Å; V102-L129 VanDerWaalsContact CA-O 3.3Å; V102-L129 WeakPolarHBondContact CA-O 3.49Å; V102-L129 HydrophobicContact CG1-CB 4.27Å; V102-L129 HydrophobicContact CG2-CB 4.14Å; V102-L129 HydrophobicContact CG2-CD1 4.01Å; V102-L129 HydrophobicContact CG2-CG 4.32Å; V103-L129 PolarHBondContact N-O 2.95Å; V127-L129 HydrophobicContact CG1-CD2 3.44Å; V127-L129 VanDerWaalsContact CG1-CD2 3.44Å; V127-L129 HydrophobicContact CG1-CG 4.17Å; L129-L172 HydrophobicContact CD2-CD2 3.57Å; L129-V189 WeakPolarHBondContact CA-O 3.37Å; L129-V189 HydrophobicContact CD2-CB 4.14Å; L129-F191 HydrophobicContact CB-CE2 4.06Å; L129-F191 HydrophobicContact CD2-CE2 3.94Å; L129-F191 HydrophobicContact CD2-CZ 4.41Å; L129-F191 HydrophobicContact CG-CE2 4.45Å
130A98.5Very high95.2Very high0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-118.6134.1-176.900000111.4V103 L109 L188 V189 E190 F191V103-A130 HydrophobicContact CG2-CB 4.27Å; V103-A130 WeakPolarHBondContact O-CA 3.15Å; L109-A130 HydrophobicContact CD1-CB 3.91Å; L109-A130 HydrophobicContact CD2-CB 3.88Å; L109-A130 HydrophobicContact CG-CB 4.3Å; A130-L188 HydrophobicContact CB-CD1 3.74Å; A130-V189 PolarHBondContact N-O 2.87Å; A130-E190 CarbonylContact O-C 3.57Å; A130-E190 WeakPolarHBondContact O-CA 3.31Å; A130-F191 PolarHBondContact O-N 3.44Å
131G97.7Very high94.7Very high0 Ų033.9 Ų33.90%021%0.205CC..EExtended strand (participates in β ladder)trans-64.9160.6164.800000111.9V103 A105 Q148 F191V103-G131 PolarHBondContact O-N 3.06Å; A105-G131 WeakPolarHBondContact CA-O 3.33Å; A105-G131 WeakPolarHBondContact CB-O 3.45Å; G131-Q148 PolarHBondContact O-NE2 3Å; G131-Q148 PolarHBondContact O-OE1 3.38Å; G131-F191 CarbonylContact C-O 3.55Å
132A96.9Very high94.4Very high2 Ų232.1 Ų32.12%0.01720%0.199CC..EExtended strand (participates in β ladder)trans-150.4162.4171.400000111.1H60 E190 F191 I193H60-A132 PolarHBondContact CD2-O 3.27Å; A132-E190 HydrophobicContact CB-CG 3.56Å; A132-F191 PolarHBondContact N-O 3.06Å; A132-I193 PolarHBondContact O-N 3.09Å
133A93.9Very high94.1Very high5 Ų538.1 Ų38.14%0.04123%0.228CC..  trans-57.1155.5170.100000111.7S142 D145A133-S142 VanDerWaalsContact CB-OG 3.28Å; A133-S142 WeakPolarHBondContact CB-OG 3.3Å; A133-D145 HydrophobicContact CB-CB 3.78Å
134S93.1Very high93.9Very high18 Ų1839.8 Ų39.813%0.12624%0.236CC..  trans-59.6147.7179.9670000111.3L136 L137 R138 D194S134-L136 PolarHBondContact O-N 3.22Å; S134-L136 VanDerWaalsContact O-N 3.14Å; S134-L137 PolarHBondContact O-N 3.31Å; S134-L137 WeakPolarHBondContact OG-CB 3.41Å; S134-L137 VanDerWaalsContact OG-CG 3.3Å; S134-L137 WeakPolarHBondContact OG-CG 3.45Å; S134-L137 PolarHBondContact OG-N 3.27Å; S134-R138 PolarHBondContact O-N 3.32Å; S134-D194 WeakPolarHBondContact CA-OD1 3.49Å
135G90.6Very high93.7Very high31 Ų3141.2 Ų41.232%0.3224%0.243SC..THydrogen-bonded Turntrans-58.1-32.1-17800000113.2D194 Y227G135-D194 PolarHBondContact N-OD1 2.75Å; G135-D194 PolarHBondContact N-OD2 2.63Å; G135-Y227 VanDerWaalsContact CA-OH 3.24Å; G135-Y227 WeakPolarHBondContact CA-OH 3.49Å; G135-Y227 PolarHBondContact N-OH 2.82Å
136L90.2Very high93.6Very high22 Ų2244 Ų4412%0.11526%0.257CS..THydrogen-bonded Turntrans-70.5-30.5176.4-72.7173.3000114.6S134 R140 T206 Y223 L224 Y227S134-L136 PolarHBondContact O-N 3.22Å; S134-L136 VanDerWaalsContact O-N 3.14Å; L136-R140 WeakPolarHBondContact O-CD 3.17Å; L136-R140 PolarHBondContact O-NE 2.95Å; L136-R140 PolarHBondContact O-NH1 2.9Å; L136-T206 HydrophobicContact CD1-CG2 4Å; L136-Y223 HydrophobicContact CD2-CE1 3.82Å; L136-L224 HydrophobicContact CD1-CD2 3.64Å; L136-L224 HydrophobicContact CD2-CD2 3.99Å; L136-L224 HydrophobicContact CG-CD2 4.48Å; L136-Y227 HydrophobicContact CD1-CD1 3.65Å; L136-Y227 HydrophobicContact CD1-CE1 3.73Å; L136-Y227 HydrophobicContact CD1-CG 4.3Å; L136-Y227 HydrophobicContact CD2-CD1 3.91Å; L136-Y227 HydrophobicContact CD2-CD2 3.78Å; L136-Y227 HydrophobicContact CD2-CE1 4.18Å; L136-Y227 HydrophobicContact CD2-CE2 4.05Å; L136-Y227 HydrophobicContact CD2-CG 3.7Å; L136-Y227 HydrophobicContact CG-CD1 3.67Å; L136-Y227 HydrophobicContact CG-CD2 4.16Å; L136-Y227 HydrophobicContact CG-CE1 3.52Å; L136-Y227 HydrophobicContact CG-CE2 4.02Å; L136-Y227 HydrophobicContact CG-CG 3.99Å
137L89.4Confident93.4Very high83 Ų8347.8 Ų47.844%0.43528%0.277SS..THydrogen-bonded Turntrans-98.5-7.7-176.3-62.6179.6000113.3S134 G139 R140 S142S134-L137 PolarHBondContact O-N 3.31Å; S134-L137 WeakPolarHBondContact OG-CB 3.41Å; S134-L137 VanDerWaalsContact OG-CG 3.3Å; S134-L137 WeakPolarHBondContact OG-CG 3.45Å; S134-L137 PolarHBondContact OG-N 3.27Å; L137-G139 PolarHBondContact O-N 3.48Å; L137-R140 WeakPolarHBondContact O-CA 3.47Å; L137-R140 WeakPolarHBondContact O-CB 3.4Å; L137-R140 PolarHBondContact O-N 2.82Å; L137-S142 PolarHBondContact O-OG 3.42Å
138R89.9Confident93.3Very high112 Ų11247.9 Ų47.942%0.42328%0.278SS..THydrogen-bonded Turntrans-54.4132.3176-165-148.5-176.6156.7-1.6111.9S134 R140 D145S134-R138 PolarHBondContact O-N 3.32Å; R138-R140 PolarHBondContact O-N 3.46Å; R138-D145 WeakPolarHBondContact CA-OD2 3.37Å
139G89.6Confident93.2Very high74 Ų7448.5 Ų48.576%0.76328%0.281SS*.THydrogen-bonded Turntrans71.210.8-177.800000113.5L137 D145L137-G139 PolarHBondContact O-N 3.48Å; G139-D145 PolarHBondContact N-OD2 2.65Å
140R91Very high93.2Very high174 Ų17450.6 Ų50.666%0.65730%0.299SS*.THydrogen-bonded Turntrans-110.912.6-178.6-53-172.2172.3-178-2.6113.4L136 L137 R138L136-R140 WeakPolarHBondContact O-CD 3.17Å; L136-R140 PolarHBondContact O-NE 2.95Å; L136-R140 PolarHBondContact O-NH1 2.9Å; L137-R140 WeakPolarHBondContact O-CA 3.47Å; L137-R140 WeakPolarHBondContact O-CB 3.4Å; L137-R140 PolarHBondContact O-N 2.82Å; R138-R140 PolarHBondContact O-N 3.46Å
141G87.5Confident93.1Very high75 Ų7553.8 Ų53.877%0.77332%0.318SS*.THydrogen-bonded Turntrans75.828.5179.600000113.9
142S90.2Very high93.2Very high28 Ų2853.8 Ų53.820%0.19632%0.318CS..  trans-66.4156.7171.247.50000112.1A133 L137 Q144 D145A133-S142 VanDerWaalsContact CB-OG 3.28Å; A133-S142 WeakPolarHBondContact CB-OG 3.3Å; L137-S142 PolarHBondContact O-OG 3.42Å; S142-Q144 PolarHBondContact O-N 2.89Å; S142-D145 VanDerWaalsContact O-CB 3.3Å; S142-D145 WeakPolarHBondContact O-CB 3.34Å; S142-D145 PolarHBondContact O-N 2.7Å; S142-D145 VanDerWaalsContact O-N 3.08Å; S142-D145 VanDerWaalsContact OG-CB 3.29Å; S142-D145 WeakPolarHBondContact OG-CB 3.31Å
143L89.3Confident93.2Very high138 Ų13860.5 Ų60.572%0.72334%0.343SS*.THydrogen-bonded Turntrans-50.5128.3177.5-17764.7000111.3D145L143-D145 PolarHBondContact O-N 2.86Å; L143-D145 VanDerWaalsContact O-N 3.17Å
144Q93.4Very high93.4Very high58 Ų5864.7 Ų64.727%0.27137%0.369SS..THydrogen-bonded Turntrans62.211.7179-61174.20.800115.8H60 T104 A105 G106 P107 S142 I146H60-Q144 PolarHBondContact CE1-OE1 3.28Å; H60-Q144 PolarHBondContact ND1-OE1 3.23Å; H60-Q144 VanDerWaalsContact ND1-OE1 3.16Å; T104-Q144 PolarHBondContact OG1-OE1 3.45Å; A105-Q144 HydrophobicContact CB-CB 3.97Å; A105-Q144 PolarHBondContact O-OE1 3.38Å; A105-Q144 VanDerWaalsContact O-OE1 3.07Å; G106-Q144 WeakPolarHBondContact CA-O 3.49Å; P107-Q144 HydrophobicContact CG-CG 4.48Å; S142-Q144 PolarHBondContact O-N 2.89Å; Q144-I146 PolarHBondContact O-N 2.79Å
145D93.7Very high93.7Very high35 Ų3564.7 Ų64.719%0.18737%0.368CS..  trans-77.9119.7177.4-174.741.5000112.1A133 R138 G139 S142 L143A133-D145 HydrophobicContact CB-CB 3.78Å; R138-D145 WeakPolarHBondContact CA-OD2 3.37Å; G139-D145 PolarHBondContact N-OD2 2.65Å; S142-D145 VanDerWaalsContact O-CB 3.3Å; S142-D145 WeakPolarHBondContact O-CB 3.34Å; S142-D145 PolarHBondContact O-N 2.7Å; S142-D145 VanDerWaalsContact O-N 3.08Å; S142-D145 VanDerWaalsContact OG-CB 3.29Å; S142-D145 WeakPolarHBondContact OG-CB 3.31Å; L143-D145 PolarHBondContact O-N 2.86Å; L143-D145 VanDerWaalsContact O-N 3.17Å
146I95Very high94Very high69 Ų6963.7 Ų63.735%0.35436%0.356SS..SBendtrans-146.2168175.961.8172000109T110 Q144 Q148T110-I146 HydrophobicContact CG2-CD1 3.64Å; Q144-I146 PolarHBondContact O-N 2.79Å; I146-Q148 HydrophobicContact CD1-CG 4.17Å; I146-Q148 HydrophobicContact CG1-CG 3.6Å; I146-Q148 PolarHBondContact O-N 3.17Å
147D95.4Very high94.4Very high78 Ų7866.4 Ų66.442%0.41737%0.367SS..  trans-76.874167.3-167.1-5.7000111.2L149 A150D147-L149 PolarHBondContact O-N 2.98Å; D147-L149 PolarHBondContact OD1-N 3.05Å; D147-A150 HydrophobicContact CB-CB 4.07Å; D147-A150 VanDerWaalsContact CG-CB 3.45Å; D147-A150 PolarHBondContact O-N 3.34Å; D147-A150 VanDerWaalsContact O-N 3.17Å; D147-A150 PolarHBondContact OD1-N 3.16Å; D147-A150 WeakPolarHBondContact OD2-CB 3.34Å
148Q96.8Very high94.8Very high2 Ų265 Ų651%0.00936%0.356CS..Hα-helixtrans-53.3-40.3178.7-63.2-166.915200112.1L109 G131 I146 A150 V151 F152 E190L109-Q148 HydrophobicContact CD2-CB 3.54Å; L109-Q148 HydrophobicContact CD2-CG 3.77Å; G131-Q148 PolarHBondContact O-NE2 3Å; G131-Q148 PolarHBondContact O-OE1 3.38Å; I146-Q148 HydrophobicContact CD1-CG 4.17Å; I146-Q148 HydrophobicContact CG1-CG 3.6Å; I146-Q148 PolarHBondContact O-N 3.17Å; Q148-A150 PolarHBondContact O-N 3.32Å; Q148-V151 PolarHBondContact O-N 2.94Å; Q148-F152 WeakPolarHBondContact O-CD2 3.22Å; Q148-F152 PolarHBondContact O-N 3.4Å; Q148-E190 WeakPolarHBondContact CB-OE2 3.28Å; Q148-E190 PolarHBondContact NE2-OE2 3.26Å
149L97.2Very high95.3Very high14 Ų1460.8 Ų60.87%0.07334%0.343CS..Hα-helixtrans-68.3-35.8-177.2-59.3-177000111.9D147 V151 F152 R153 C159 R161 L188 E190D147-L149 PolarHBondContact O-N 2.98Å; D147-L149 PolarHBondContact OD1-N 3.05Å; L149-V151 VanDerWaalsContact C-N 3.3Å; L149-V151 PolarHBondContact O-N 3.35Å; L149-F152 PolarHBondContact O-N 2.97Å; L149-R153 VanDerWaalsContact O-CG 3.25Å; L149-R153 WeakPolarHBondContact O-CG 3.06Å; L149-R153 PolarHBondContact O-N 3.49Å; L149-C159 HydrophobicContact CD2-CB 4.09Å; L149-R161 HydrophobicContact CD1-CB 4.08Å; L149-L188 HydrophobicContact CD2-CD2 4.04Å; L149-E190 HydrophobicContact CD2-CB 4.08Å
150A97.4Very high95.7Very high45 Ų4562.2 Ų62.237%0.37233%0.325SS..Hα-helixtrans-62.2-38.417700000112.4D147 Q148 F152D147-A150 HydrophobicContact CB-CB 4.07Å; D147-A150 VanDerWaalsContact CG-CB 3.45Å; D147-A150 PolarHBondContact O-N 3.34Å; D147-A150 VanDerWaalsContact O-N 3.17Å; D147-A150 PolarHBondContact OD1-N 3.16Å; D147-A150 WeakPolarHBondContact OD2-CB 3.34Å; Q148-A150 PolarHBondContact O-N 3.32Å; A150-F152 VanDerWaalsContact C-N 3.34Å; A150-F152 PolarHBondContact O-N 3.34Å
151V97.8Very high96Very high66 Ų6654.7 Ų54.740%0.430%0.297SS..Hα-helixtrans-64.6-37.9177.6-179.30000111.5V113 Q148 L149V113-V151 HydrophobicContact CG2-CG1 3.8Å; Q148-V151 PolarHBondContact O-N 2.94Å; L149-V151 VanDerWaalsContact C-N 3.3Å; L149-V151 PolarHBondContact O-N 3.35Å
152F98.5Very high96.5Very high0 Ų051.1 Ų51.10%026%0.26CS..Hα-helixtrans-96.9-21.4-170.1-79.8-99.4000115.5L109 T112 V113 V116 L128 Q148 L149 A150 P154 I155 C156 L188L109-F152 HydrophobicContact CD1-CD2 4.35Å; L109-F152 HydrophobicContact CD1-CE1 3.9Å; L109-F152 HydrophobicContact CD1-CE2 3.76Å; L109-F152 HydrophobicContact CD1-CZ 3.51Å; L109-F152 HydrophobicContact CD2-CD2 4.11Å; L109-F152 HydrophobicContact CD2-CE2 3.89Å; L109-F152 HydrophobicContact CD2-CZ 4.5Å; L109-F152 HydrophobicContact CG-CD2 4.14Å; L109-F152 HydrophobicContact CG-CE2 3.45Å; L109-F152 VanDerWaalsContact CG-CE2 3.45Å; L109-F152 HydrophobicContact CG-CZ 3.68Å; L109-F152 VanDerWaalsContact O-CZ 3.27Å; L109-F152 WeakPolarHBondContact O-CZ 3.48Å; T112-F152 WeakPolarHBondContact OG1-CE1 3.34Å; T112-F152 WeakPolarHBondContact OG1-CZ 3.15Å; V113-F152 HydrophobicContact CG2-CE1 4.34Å; V113-F152 HydrophobicContact CG2-CE2 3.87Å; V113-F152 HydrophobicContact CG2-CZ 3.6Å; V116-F152 HydrophobicContact CB-CE1 4.2Å; V116-F152 HydrophobicContact CG1-CD1 4.26Å; V116-F152 HydrophobicContact CG1-CE1 4.4Å; V116-F152 HydrophobicContact CG2-CD1 4.43Å; V116-F152 HydrophobicContact CG2-CE1 3.88Å; L128-F152 HydrophobicContact CD2-CD1 4.46Å; L128-F152 HydrophobicContact CD2-CE1 4Å; Q148-F152 WeakPolarHBondContact O-CD2 3.22Å; Q148-F152 PolarHBondContact O-N 3.4Å; L149-F152 PolarHBondContact O-N 2.97Å; A150-F152 VanDerWaalsContact C-N 3.34Å; A150-F152 PolarHBondContact O-N 3.34Å; F152-P154 VanDerWaalsContact C-CD 3.42Å; F152-P154 VanDerWaalsContact C-N 3.3Å; F152-P154 VanDerWaalsContact O-N 3.16Å; F152-I155 HydrophobicContact CB-CG1 4.48Å; F152-I155 HydrophobicContact CD1-CD1 3.84Å; F152-I155 HydrophobicContact CD1-CG1 4.11Å; F152-I155 HydrophobicContact CE1-CD1 4.02Å; F152-I155 HydrophobicContact CG-CD1 4.43Å; F152-I155 WeakPolarHBondContact O-CG1 3.25Å; F152-I155 PolarHBondContact O-N 2.78Å; F152-C156 PolarHBondContact O-N 2.83Å; F152-L188 HydrophobicContact CB-CD2 3.52Å; F152-L188 HydrophobicContact CD1-CD2 4.27Å; F152-L188 HydrophobicContact CD2-CD2 4.2Å; F152-L188 HydrophobicContact CG-CD2 3.72Å
153R98.4Very high96.8Very high143 Ų14353.1 Ų53.154%0.5427%0.268SS..THydrogen-bonded Turntrans-49.3-40.5-179.8-87.4174.2-165.7127.92.4114.4L149 I155 C159L149-R153 VanDerWaalsContact O-CG 3.25Å; L149-R153 WeakPolarHBondContact O-CG 3.06Å; L149-R153 PolarHBondContact O-N 3.49Å; R153-I155 VanDerWaalsContact C-N 3.32Å; R153-I155 PolarHBondContact O-N 2.99Å; R153-C159 HydrophobicContact CG-CB 4.35Å
154P97.8Very high97.1Very high93 Ų9350.4 Ų50.460%0.60425%0.249SC*.THydrogen-bonded Turntrans-71.5-23.1178.6-21.135000114.5Q120 F152Q120-P154 PolarHBondContact NE2-O 3.13Å; Q120-P154 VanDerWaalsContact NE2-O 3.13Å; F152-P154 VanDerWaalsContact C-CD 3.42Å; F152-P154 VanDerWaalsContact C-N 3.3Å; F152-P154 VanDerWaalsContact O-N 3.16Å
155I98.1Very high97.2Very high19 Ų1947.7 Ų47.710%0.09724%0.236CC..THydrogen-bonded Turntrans-109.3-4-171.665.2173.3000113.7V113 V116 K117 Q120 F152 R153 P186V113-I155 HydrophobicContact CB-CD1 4.41Å; V113-I155 HydrophobicContact CG1-CD1 4.03Å; V116-I155 HydrophobicContact CB-CD1 4.03Å; V116-I155 HydrophobicContact CG1-CB 4.39Å; V116-I155 HydrophobicContact CG1-CD1 3.85Å; V116-I155 HydrophobicContact CG1-CG1 3.9Å; K117-I155 HydrophobicContact CB-CG2 4.38Å; K117-I155 HydrophobicContact CD-CB 4.38Å; K117-I155 HydrophobicContact CD-CG2 3.86Å; Q120-I155 WeakPolarHBondContact CB-O 3.39Å; Q120-I155 VanDerWaalsContact CD-O 3.26Å; Q120-I155 WeakPolarHBondContact CG-O 3.44Å; Q120-I155 VanDerWaalsContact NE2-CA 3.27Å; Q120-I155 PolarHBondContact NE2-O 3.03Å; Q120-I155 VanDerWaalsContact NE2-O 3.11Å; F152-I155 HydrophobicContact CB-CG1 4.48Å; F152-I155 HydrophobicContact CD1-CD1 3.84Å; F152-I155 HydrophobicContact CD1-CG1 4.11Å; F152-I155 HydrophobicContact CE1-CD1 4.02Å; F152-I155 HydrophobicContact CG-CD1 4.43Å; F152-I155 WeakPolarHBondContact O-CG1 3.25Å; F152-I155 PolarHBondContact O-N 2.78Å; R153-I155 VanDerWaalsContact C-N 3.32Å; R153-I155 PolarHBondContact O-N 2.99Å; I155-P186 WeakPolarHBondContact O-CG 3.41Å
156C98.7Very high97.2Very high9 Ų949.7 Ų49.76%0.06124%0.242CC..SBendtrans-115.5150.3173-66.50000111.7F152 W158 C159 P186F152-C156 PolarHBondContact O-N 2.83Å; C156-W158 PolarHBondContact O-N 3.23Å; C156-C159 VanDerWaalsContact CB-SG 3.52Å; C156-P186 CarbonylContact C-O 3.57Å; C156-P186 WeakPolarHBondContact CA-O 3.42Å; C156-P186 WeakPolarHBondContact CB-O 3.16Å
157K97.8Very high97.3Very high80 Ų8048.5 Ų48.535%0.34824%0.235SC..SBendtrans-65.1-32.3170.1-70.3-178.265.3-174.20112.1I178 S181 T183 P186 V187K157-I178 HydrophobicContact CB-CG2 4.32Å; K157-I178 PolarHBondContact NZ-O 2.71Å; K157-S181 PolarHBondContact NZ-O 3.29Å; K157-T183 VanDerWaalsContact CE-O 3.25Å; K157-T183 WeakPolarHBondContact CE-O 3.43Å; K157-T183 PolarHBondContact NZ-O 3.35Å; K157-P186 PolarHBondContact N-O 3.39Å; K157-V187 HydrophobicContact CB-CG1 4.31Å
158W98.6Very high97.4Very high54 Ų5444.8 Ų44.821%0.20522%0.215CC..EExtended strand (participates in β ladder)trans-157135.4-176.5-174.174.7000110.5C156 R160 V171 K174 A175 I178 V187 L188 V189C156-W158 PolarHBondContact O-N 3.23Å; W158-R160 HydrophobicContact CD2-CB 4.29Å; W158-R160 HydrophobicContact CE3-CB 4.13Å; W158-R160 HydrophobicContact CH2-CB 3.34Å; W158-R160 HydrophobicContact CH2-CG 3.71Å; W158-R160 HydrophobicContact CZ2-CB 3.43Å; W158-R160 VanDerWaalsContact CZ2-CB 3.43Å; W158-R160 HydrophobicContact CZ2-CG 3.72Å; W158-R160 HydrophobicContact CZ3-CB 3.66Å; W158-R160 HydrophobicContact CZ3-CG 4.47Å; W158-V171 HydrophobicContact CH2-CG1 3.88Å; W158-V171 HydrophobicContact CZ3-CG1 4.36Å; W158-K174 HydrophobicContact CZ2-CD 4.22Å; W158-A175 HydrophobicContact CE3-CB 4.28Å; W158-A175 HydrophobicContact CZ3-CB 3.77Å; W158-I178 HydrophobicContact CB-CD1 4.2Å; W158-I178 HydrophobicContact CB-CG2 3.87Å; W158-I178 HydrophobicContact CD2-CD1 3.84Å; W158-I178 HydrophobicContact CE3-CD1 4.38Å; W158-I178 HydrophobicContact CG-CD1 3.77Å; W158-V187 HydrophobicContact CB-CB 4.48Å; W158-V187 HydrophobicContact CB-CG1 3.99Å; W158-V187 HydrophobicContact CE3-CB 4.47Å; W158-V187 CarbonylContact O-C 3.52Å; W158-V187 VanDerWaalsContact O-CA 3.26Å; W158-V187 WeakPolarHBondContact O-CA 3.42Å; W158-V187 WeakPolarHBondContact O-CB 3.34Å; W158-L188 PolarHBondContact O-N 2.8Å; W158-V189 HydrophobicContact CZ3-CG2 4.05Å
159C98.7Very high97.4Very high23 Ų2346.4 Ų46.416%0.15522%0.223CC..EExtended strand (participates in β ladder)trans-126.6134.1175.2-58.30000108.7L149 R153 C156 L188L149-C159 HydrophobicContact CD2-CB 4.09Å; R153-C159 HydrophobicContact CG-CB 4.35Å; C156-C159 VanDerWaalsContact CB-SG 3.52Å; C159-L188 CarbonylContact C-O 3.55Å; C159-L188 VanDerWaalsContact CA-O 3.29Å; C159-L188 WeakPolarHBondContact CA-O 3.46Å; C159-L188 HydrophobicContact CB-CB 4.35Å
160R98.4Very high97.3Very high104 Ų10449.4 Ų49.439%0.39224%0.243SC..EExtended strand (participates in β ladder)trans-145.2134.4178-17662.4-179.7-167.3-0.4112.2W158 V171 L188 V189 E190W158-R160 HydrophobicContact CD2-CB 4.29Å; W158-R160 HydrophobicContact CE3-CB 4.13Å; W158-R160 HydrophobicContact CH2-CB 3.34Å; W158-R160 HydrophobicContact CH2-CG 3.71Å; W158-R160 HydrophobicContact CZ2-CB 3.43Å; W158-R160 VanDerWaalsContact CZ2-CB 3.43Å; W158-R160 HydrophobicContact CZ2-CG 3.72Å; W158-R160 HydrophobicContact CZ3-CB 3.66Å; W158-R160 HydrophobicContact CZ3-CG 4.47Å; R160-V171 HydrophobicContact CB-CG1 4.34Å; R160-V171 HydrophobicContact CG-CG1 3.87Å; R160-V171 HydrophobicContact CG-CG2 4.45Å; R160-L188 PolarHBondContact N-O 3.07Å; R160-V189 CarbonylContact O-C 3.49Å; R160-V189 WeakPolarHBondContact O-CA 3.34Å; R160-E190 PolarHBondContact O-N 3.2Å
161R97.6Very high97.4Very high16 Ų1648 Ų486%0.0623%0.23CC..EExtended strand (participates in β ladder)trans-88137.3163.2177.9177.1-63-148.4-6.6110.5L149 E190 P192L149-R161 HydrophobicContact CD1-CB 4.08Å; R161-E190 HydrophobicContact CB-CB 4.42Å; R161-E190 WeakPolarHBondContact CB-OE1 3.32Å; R161-E190 IonicContact CZ-OE1 3.74Å; R161-E190 IonicContact CZ-OE2 3.68Å; R161-E190 IonicContact NE-OE1 3.63Å; R161-E190 PolarHBondContact NE-OE1 3.08Å; R161-E190 IonicContact NH2-OE1 4Å; R161-E190 PolarHBondContact NH2-OE1 3.08Å; R161-E190 IonicContact NH2-OE2 2.71Å; R161-E190 PolarHBondContact NH2-OE2 3.2Å; R161-P192 HydrophobicContact CG-CG 4.18Å
162I97.9Very high97.4Very high0 Ų044.9 Ų44.90%021%0.211CC..  trans-85.5132.4167.2-66.8165.3000107.9Y164 E167 I168 V171 V189 E190 F191 P192 L195I162-Y164 VanDerWaalsContact CG2-O 3.29Å; I162-Y164 WeakPolarHBondContact CG2-O 3.3Å; I162-E167 HydrophobicContact CG2-CB 4.15Å; I162-I168 HydrophobicContact CD1-CG1 4.13Å; I162-I168 HydrophobicContact CG2-CG1 3.89Å; I162-V171 HydrophobicContact CD1-CB 4.43Å; I162-V171 HydrophobicContact CD1-CG1 4.09Å; I162-V171 HydrophobicContact CG1-CB 4.13Å; I162-V171 HydrophobicContact CG1-CG1 3.74Å; I162-V171 HydrophobicContact CG1-CG2 4.37Å; I162-V189 HydrophobicContact CD1-CG1 3.54Å; I162-V189 HydrophobicContact CG1-CG1 4Å; I162-E190 PolarHBondContact N-O 2.94Å; I162-F191 HydrophobicContact CD1-CD1 3.64Å; I162-F191 HydrophobicContact CD1-CE1 3.16Å; I162-F191 HydrophobicContact CD1-CE2 4.24Å; I162-F191 HydrophobicContact CD1-CG 4.38Å; I162-F191 HydrophobicContact CD1-CZ 3.5Å; I162-F191 VanDerWaalsContact CD1-CZ 3.5Å; I162-P192 WeakPolarHBondContact O-CD 3.43Å; I162-L195 HydrophobicContact CB-CD1 4.06Å; I162-L195 HydrophobicContact CG2-CD1 3.72Å; I162-L195 HydrophobicContact CG2-CD2 4.43Å; I162-L195 VanDerWaalsContact O-CD1 3.23Å; I162-L195 WeakPolarHBondContact O-CD1 3.41Å
163N95.9Very high97.4Very high69 Ų6946 Ų4637%0.36922%0.218SC..  trans-109.2-19.2179.6-55.9-71.5000112.9E167 L231N163-E167 PolarHBondContact N-OE2 3.08Å; N163-E167 VanDerWaalsContact N-OE2 3.08Å; N163-L231 WeakPolarHBondContact O-CD1 3.34Å
164Y96Very high97.4Very high82 Ų8244.5 Ų44.532%0.32222%0.216SC..SBendtrans-141.7147.9-177.7-46.9-69.7000110.3I162 R166 E167 L195 N230I162-Y164 VanDerWaalsContact CG2-O 3.29Å; I162-Y164 WeakPolarHBondContact CG2-O 3.3Å; Y164-R166 VanDerWaalsContact C-N 3.26Å; Y164-R166 PolarHBondContact O-N 3.38Å; Y164-E167 HydrophobicContact CD2-CG 4.18Å; Y164-E167 WeakPolarHBondContact O-CB 3.49Å; Y164-E167 PolarHBondContact O-N 3Å; Y164-L195 VanDerWaalsContact C-CD2 3.43Å; Y164-N230 HydrophobicContact CD1-CB 4.36Å; Y164-N230 WeakPolarHBondContact CD1-O 3.34Å; Y164-N230 HydrophobicContact CE1-CB 3.98Å
165V96.3Very high97.4Very high0 Ų040 Ų400%019%0.187CC..G310 helixtrans-57.7-40.3-176.8175.90000111.4L40 E167 I168 L195 L231 F232 F236L40-V165 HydrophobicContact CD1-CG1 3.6Å; V165-E167 PolarHBondContact O-N 3.13Å; V165-I168 HydrophobicContact CG1-CD1 4.13Å; V165-I168 WeakPolarHBondContact O-CB 3.27Å; V165-I168 VanDerWaalsContact O-CG1 3.26Å; V165-I168 WeakPolarHBondContact O-CG1 3.49Å; V165-I168 PolarHBondContact O-N 3.14Å; V165-L195 HydrophobicContact CG2-CD2 3.86Å; V165-L231 WeakPolarHBondContact CG2-O 3.15Å; V165-L231 PolarHBondContact N-O 3.32Å; V165-F232 HydrophobicContact CG2-CD1 3.85Å; V165-F232 HydrophobicContact CG2-CE1 4.04Å; V165-F232 HydrophobicContact CG2-CG 4.5Å; V165-F236 HydrophobicContact CG1-CD1 4.21Å; V165-F236 HydrophobicContact CG1-CE1 3.7Å; V165-F236 HydrophobicContact CG1-CE2 4.36Å; V165-F236 HydrophobicContact CG1-CZ 3.79Å
166R94.1Very high97.4Very high78 Ų7839.2 Ų39.229%0.29418%0.183SC..G310 helixtrans-61.2-16.3176.865.7-179.6171.1-77.2-9.1114.9Y164 N230 A233Y164-R166 VanDerWaalsContact C-N 3.26Å; Y164-R166 PolarHBondContact O-N 3.38Å; R166-N230 PolarHBondContact NH1-O 2.81Å; R166-A233 PolarHBondContact NH1-O 3.13Å; R166-A233 VanDerWaalsContact NH1-O 3.09Å
167E96.2Very high97.4Very high44 Ų4442.3 Ų42.321%0.20619%0.194CC..G310 helixtrans-84.2-16177.3-65.6-175.3157.700112.6I162 N163 Y164 V165 I169 P170 V171I162-E167 HydrophobicContact CG2-CB 4.15Å; N163-E167 PolarHBondContact N-OE2 3.08Å; N163-E167 VanDerWaalsContact N-OE2 3.08Å; Y164-E167 HydrophobicContact CD2-CG 4.18Å; Y164-E167 WeakPolarHBondContact O-CB 3.49Å; Y164-E167 PolarHBondContact O-N 3Å; V165-E167 PolarHBondContact O-N 3.13Å; E167-I169 PolarHBondContact O-N 3.47Å; E167-P170 VanDerWaalsContact O-CD 3.29Å; E167-P170 WeakPolarHBondContact O-CD 3.45Å; E167-P170 WeakPolarHBondContact O-CG 3.25Å; E167-V171 HydrophobicContact CB-CG2 4.05Å; E167-V171 WeakPolarHBondContact O-CB 3.35Å; E167-V171 WeakPolarHBondContact O-CG2 3.27Å; E167-V171 PolarHBondContact O-N 3.42Å
168I97.6Very high97.4Very high0 Ų040.1 Ų40.10%019%0.185CC..Hα-helixtrans-54.4-57.9-172.6-68.7170.1000111.3L40 V41 I162 V165 V171 L172 F191L40-I168 HydrophobicContact CB-CB 4.24Å; L40-I168 HydrophobicContact CB-CD1 4.49Å; L40-I168 HydrophobicContact CB-CG2 3.77Å; L40-I168 HydrophobicContact CD1-CD1 4.24Å; V41-I168 HydrophobicContact CG2-CG2 3.76Å; I162-I168 HydrophobicContact CD1-CG1 4.13Å; I162-I168 HydrophobicContact CG2-CG1 3.89Å; V165-I168 HydrophobicContact CG1-CD1 4.13Å; V165-I168 WeakPolarHBondContact O-CB 3.27Å; V165-I168 VanDerWaalsContact O-CG1 3.26Å; V165-I168 WeakPolarHBondContact O-CG1 3.49Å; V165-I168 PolarHBondContact O-N 3.14Å; I168-V171 PolarHBondContact O-N 2.98Å; I168-L172 HydrophobicContact CG2-CD1 3.87Å; I168-L172 WeakPolarHBondContact O-CB 3.39Å; I168-L172 WeakPolarHBondContact O-CG 3.3Å; I168-L172 PolarHBondContact O-N 3.43Å; I168-F191 HydrophobicContact CG1-CE1 4.36Å; I168-F191 HydrophobicContact CG2-CE1 4.3Å
169I96.2Very high97.5Very high35 Ų3537.5 Ų37.518%0.17918%0.176CC..Hα-helixtrans-57.5-58.1-178.9-64.8176.8000112.3L40 V44 E167 V171 L172 C173 I251L40-I169 HydrophobicContact CB-CG1 4.26Å; L40-I169 HydrophobicContact CD2-CD1 4.24Å; V44-I169 HydrophobicContact CG2-CB 4.18Å; V44-I169 HydrophobicContact CG2-CG1 3.99Å; V44-I169 HydrophobicContact CG2-CG2 4.17Å; E167-I169 PolarHBondContact O-N 3.47Å; I169-V171 VanDerWaalsContact C-N 3.34Å; I169-V171 PolarHBondContact O-N 3.17Å; I169-L172 PolarHBondContact O-N 3.23Å; I169-C173 WeakPolarHBondContact O-CB 3.47Å; I169-C173 PolarHBondContact O-N 3.47Å; I169-C173 PolarHBondContact O-SG 3.19Å; I169-I251 HydrophobicContact CD1-CD1 4.16Å; I169-I251 HydrophobicContact CD1-CG1 4.46Å; I169-I251 HydrophobicContact CG1-CD1 4.38Å; I169-I251 HydrophobicContact CG2-CD1 4.17Å; I169-I251 HydrophobicContact CG2-CG1 4.09Å; I169-I251 HydrophobicContact CG2-CG2 4.31Å
170P96Very high97.4Very high78 Ų7838.4 Ų38.451%0.50618%0.177SC..Hα-helixtrans-66.1-32.9-17623.8-34.1000113.5E167 K174E167-P170 VanDerWaalsContact O-CD 3.29Å; E167-P170 WeakPolarHBondContact O-CD 3.45Å; E167-P170 WeakPolarHBondContact O-CG 3.25Å; P170-K174 VanDerWaalsContact O-CB 3.26Å; P170-K174 WeakPolarHBondContact O-CB 3.16Å; P170-K174 PolarHBondContact O-N 2.94Å; P170-K174 VanDerWaalsContact O-N 3.13Å
171V98.3Very high97.4Very high16 Ų1633.6 Ų33.610%0.09716%0.16CC..Hα-helixtrans-68-45.7176.6166.50000110.6W158 R160 I162 E167 I168 I169 K174 A175 V189W158-V171 HydrophobicContact CH2-CG1 3.88Å; W158-V171 HydrophobicContact CZ3-CG1 4.36Å; R160-V171 HydrophobicContact CB-CG1 4.34Å; R160-V171 HydrophobicContact CG-CG1 3.87Å; R160-V171 HydrophobicContact CG-CG2 4.45Å; I162-V171 HydrophobicContact CD1-CB 4.43Å; I162-V171 HydrophobicContact CD1-CG1 4.09Å; I162-V171 HydrophobicContact CG1-CB 4.13Å; I162-V171 HydrophobicContact CG1-CG1 3.74Å; I162-V171 HydrophobicContact CG1-CG2 4.37Å; E167-V171 HydrophobicContact CB-CG2 4.05Å; E167-V171 WeakPolarHBondContact O-CB 3.35Å; E167-V171 WeakPolarHBondContact O-CG2 3.27Å; E167-V171 PolarHBondContact O-N 3.42Å; I168-V171 PolarHBondContact O-N 2.98Å; I169-V171 VanDerWaalsContact C-N 3.34Å; I169-V171 PolarHBondContact O-N 3.17Å; V171-K174 WeakPolarHBondContact O-CB 3.21Å; V171-K174 PolarHBondContact O-N 3.13Å; V171-A175 PolarHBondContact O-N 3.09Å; V171-V189 HydrophobicContact CG1-CG1 3.86Å; V171-V189 HydrophobicContact CG1-CG2 4.48Å
172L98.4Very high97.3Very high0 Ų036.2 Ų36.20%018%0.175CC..Hα-helixtrans-68.3-45.2178.9-75176.1000112.4V41 V44 L129 I168 I169 K174 A175 F176 V189 F191V41-L172 HydrophobicContact CB-CD1 4.17Å; V41-L172 HydrophobicContact CG1-CD1 3.93Å; V41-L172 HydrophobicContact CG2-CD1 4.05Å; V44-L172 HydrophobicContact CB-CB 4.19Å; V44-L172 HydrophobicContact CB-CD1 4.2Å; V44-L172 HydrophobicContact CG1-CB 3.67Å; V44-L172 HydrophobicContact CG1-CD1 4.5Å; V44-L172 HydrophobicContact CG2-CB 4.17Å; V44-L172 HydrophobicContact CG2-CD1 4.26Å; L129-L172 HydrophobicContact CD2-CD2 3.57Å; I168-L172 HydrophobicContact CG2-CD1 3.87Å; I168-L172 WeakPolarHBondContact O-CB 3.39Å; I168-L172 WeakPolarHBondContact O-CG 3.3Å; I168-L172 PolarHBondContact O-N 3.43Å; I169-L172 PolarHBondContact O-N 3.23Å; L172-K174 PolarHBondContact O-N 3.45Å; L172-A175 WeakPolarHBondContact O-CA 3.19Å; L172-A175 VanDerWaalsContact O-CB 3.23Å; L172-A175 WeakPolarHBondContact O-CB 3.2Å; L172-A175 PolarHBondContact O-N 3.12Å; L172-F176 WeakPolarHBondContact O-CD2 3.34Å; L172-F176 PolarHBondContact O-N 3.28Å; L172-V189 HydrophobicContact CD2-CB 4.15Å; L172-V189 HydrophobicContact CD2-CG1 4.07Å; L172-V189 HydrophobicContact CD2-CG2 4.06Å; L172-F191 HydrophobicContact CD1-CZ 4.04Å; L172-F191 HydrophobicContact CD2-CE2 4.5Å; L172-F191 HydrophobicContact CD2-CZ 3.93Å; L172-F191 HydrophobicContact CG-CZ 4.16Å
173C98Very high97.2Very high22 Ų2236.9 Ų36.915%0.14918%0.179CC..Hα-helixtrans-55.4-39.2174.5-66.40000111.3I169 Y177 I251I169-C173 WeakPolarHBondContact O-CB 3.47Å; I169-C173 PolarHBondContact O-N 3.47Å; I169-C173 PolarHBondContact O-SG 3.19Å; C173-Y177 WeakPolarHBondContact O-CB 3.38Å; C173-Y177 PolarHBondContact O-N 3.18Å; C173-Y177 VanDerWaalsContact O-N 3.12Å; C173-I251 WeakPolarHBondContact SG-CG2 3.36Å
174K98.3Very high97.3Very high112 Ų11234 Ų3449%0.48716%0.164SC..Hα-helixtrans-68.3-38174.2-175.3173.7-178.8174.50112.5W158 P170 V171 L172 Y177 I178W158-K174 HydrophobicContact CZ2-CD 4.22Å; P170-K174 VanDerWaalsContact O-CB 3.26Å; P170-K174 WeakPolarHBondContact O-CB 3.16Å; P170-K174 PolarHBondContact O-N 2.94Å; P170-K174 VanDerWaalsContact O-N 3.13Å; V171-K174 WeakPolarHBondContact O-CB 3.21Å; V171-K174 PolarHBondContact O-N 3.13Å; L172-K174 PolarHBondContact O-N 3.45Å; K174-Y177 PolarHBondContact O-N 3.11Å; K174-I178 HydrophobicContact CD-CD1 4.39Å; K174-I178 HydrophobicContact CG-CD1 3.78Å; K174-I178 HydrophobicContact CG-CG1 4.31Å; K174-I178 WeakPolarHBondContact O-CB 3.3Å; K174-I178 VanDerWaalsContact O-CG1 3.3Å; K174-I178 WeakPolarHBondContact O-CG1 3.4Å; K174-I178 PolarHBondContact O-N 3.47Å
175A98.7Very high97.4Very high0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-58.1-52.3175.400000111.1W158 V171 L172 Y177 I178 A179 V187 V189W158-A175 HydrophobicContact CE3-CB 4.28Å; W158-A175 HydrophobicContact CZ3-CB 3.77Å; V171-A175 PolarHBondContact O-N 3.09Å; L172-A175 WeakPolarHBondContact O-CA 3.19Å; L172-A175 VanDerWaalsContact O-CB 3.23Å; L172-A175 WeakPolarHBondContact O-CB 3.2Å; L172-A175 PolarHBondContact O-N 3.12Å; A175-Y177 VanDerWaalsContact C-N 3.34Å; A175-Y177 PolarHBondContact O-N 3.35Å; A175-I178 PolarHBondContact O-N 2.8Å; A175-A179 WeakPolarHBondContact O-CB 3.44Å; A175-A179 PolarHBondContact O-N 2.7Å; A175-V187 HydrophobicContact CB-CG2 3.95Å; A175-V189 HydrophobicContact CB-CG2 3.65Å
176F98.6Very high97.5Very high2 Ų230.2 Ų30.21%0.00915%0.15CC..Hα-helixtrans-59.8-41.9177.4-85.2-95.5000112.6V44 L45 H48 V50 V98 V100 V127 L172 Q180V44-F176 HydrophobicContact CG1-CD2 4.48Å; V44-F176 HydrophobicContact CG1-CE2 4.48Å; L45-F176 HydrophobicContact CD2-CE2 4.04Å; L45-F176 HydrophobicContact CD2-CZ 3.7Å; H48-F176 HydrophobicContact CB-CD1 3.88Å; H48-F176 HydrophobicContact CB-CE1 3.82Å; H48-F176 HydrophobicContact CB-CG 4.43Å; H48-F176 HydrophobicContact CB-CZ 4.31Å; H48-F176 AromaticContact CD2-CG 3.91Å; H48-F176 WeakPolarHBondContact CE1-CB 3.27Å; H48-F176 AromaticContact CE1-CG 3.69Å; H48-F176 AromaticContact CG-CD1 3.63Å; H48-F176 AromaticContact CG-CG 3.75Å; H48-F176 AromaticContact ND1-CD1 3.55Å; H48-F176 AromaticContact ND1-CG 3.62Å; H48-F176 AromaticContact NE2-CG 3.87Å; V50-F176 HydrophobicContact CG2-CE1 3.78Å; V50-F176 HydrophobicContact CG2-CZ 3.87Å; V98-F176 HydrophobicContact CB-CD1 3.75Å; V98-F176 HydrophobicContact CB-CE1 3.72Å; V98-F176 HydrophobicContact CG1-CD1 3.81Å; V98-F176 HydrophobicContact CG1-CE1 3.65Å; V98-F176 HydrophobicContact CG1-CZ 4.43Å; V98-F176 HydrophobicContact CG2-CD1 3.76Å; V98-F176 HydrophobicContact CG2-CE1 4.27Å; V100-F176 HydrophobicContact CG2-CE1 4.15Å; V100-F176 HydrophobicContact CG2-CZ 3.77Å; V127-F176 HydrophobicContact CB-CE2 4.47Å; V127-F176 HydrophobicContact CB-CZ 4.46Å; V127-F176 HydrophobicContact CG1-CE2 4.19Å; V127-F176 HydrophobicContact CG2-CD1 4.38Å; V127-F176 HydrophobicContact CG2-CD2 4.12Å; V127-F176 HydrophobicContact CG2-CE1 4.43Å; V127-F176 HydrophobicContact CG2-CE2 4.17Å; V127-F176 HydrophobicContact CG2-CG 4.21Å; V127-F176 HydrophobicContact CG2-CZ 4.32Å; L172-F176 WeakPolarHBondContact O-CD2 3.34Å; L172-F176 PolarHBondContact O-N 3.28Å; F176-Q180 PolarHBondContact O-N 2.73Å; F176-Q180 PolarHBondContact O-NE2 3.01Å
177Y98.3Very high97.8Very high73 Ų7326.5 Ų26.529%0.28614%0.136SC..Hα-helixtrans-61.6-47175.6172.7-97.4000111.9C173 K174 A175 Q180 S181 K254 S255C173-Y177 WeakPolarHBondContact O-CB 3.38Å; C173-Y177 PolarHBondContact O-N 3.18Å; C173-Y177 VanDerWaalsContact O-N 3.12Å; K174-Y177 PolarHBondContact O-N 3.11Å; A175-Y177 VanDerWaalsContact C-N 3.34Å; A175-Y177 PolarHBondContact O-N 3.35Å; Y177-Q180 PolarHBondContact O-N 3.11Å; Y177-S181 WeakPolarHBondContact CE2-OG 3.42Å; Y177-S181 VanDerWaalsContact O-CB 3.27Å; Y177-S181 WeakPolarHBondContact O-CB 3.43Å; Y177-S181 PolarHBondContact O-N 3.37Å; Y177-S181 VanDerWaalsContact O-N 3.07Å; Y177-S181 PolarHBondContact O-OG 2.95Å; Y177-K254 HydrophobicContact CD2-CB 3.92Å; Y177-K254 HydrophobicContact CE2-CB 4.48Å; Y177-S255 VanDerWaalsContact CE2-O 3.25Å; Y177-S255 WeakPolarHBondContact CE2-O 3.39Å
178I98.5Very high97.9Very high34 Ų3424.4 Ų24.417%0.17413%0.126CC..Hα-helixtrans-67.6-40.5-179.8-68.8170.7000111.2K157 W158 K174 A175 Q180 S181 V187K157-I178 HydrophobicContact CB-CG2 4.32Å; K157-I178 PolarHBondContact NZ-O 2.71Å; W158-I178 HydrophobicContact CB-CD1 4.2Å; W158-I178 HydrophobicContact CB-CG2 3.87Å; W158-I178 HydrophobicContact CD2-CD1 3.84Å; W158-I178 HydrophobicContact CE3-CD1 4.38Å; W158-I178 HydrophobicContact CG-CD1 3.77Å; K174-I178 HydrophobicContact CD-CD1 4.39Å; K174-I178 HydrophobicContact CG-CD1 3.78Å; K174-I178 HydrophobicContact CG-CG1 4.31Å; K174-I178 WeakPolarHBondContact O-CB 3.3Å; K174-I178 VanDerWaalsContact O-CG1 3.3Å; K174-I178 WeakPolarHBondContact O-CG1 3.4Å; K174-I178 PolarHBondContact O-N 3.47Å; A175-I178 PolarHBondContact O-N 2.8Å; I178-Q180 PolarHBondContact O-N 2.98Å; I178-S181 PolarHBondContact O-N 2.69Å; I178-V187 HydrophobicContact CB-CG1 4.38Å; I178-V187 HydrophobicContact CG2-CG1 3.95Å
179A98.6Very high97.9Very high0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-55.5-37.8-179.200000111.9P125 V127 A175 P184 G185 V187P125-A179 HydrophobicContact CB-CB 4.15Å; P125-A179 WeakPolarHBondContact CB-O 3.49Å; V127-A179 HydrophobicContact CG2-CB 4.23Å; A175-A179 WeakPolarHBondContact O-CB 3.44Å; A175-A179 PolarHBondContact O-N 2.7Å; A179-P184 CarbonylContact O-C 3.56Å; A179-P184 WeakPolarHBondContact O-CA 3.29Å; A179-P184 WeakPolarHBondContact O-CB 3.4Å; A179-G185 WeakPolarHBondContact CA-O 3.24Å; A179-G185 PolarHBondContact O-N 2.94Å; A179-V187 HydrophobicContact CB-CG1 4.14Å; A179-V187 HydrophobicContact CB-CG2 4.04Å
180Q97.7Very high98Very high41 Ų4122.8 Ų22.819%0.19212%0.118CC..Hα-helixtrans-95.3-23.3-175.4-65.4172.389.300114.9V98 P125 F176 Y177 I178 P256V98-Q180 HydrophobicContact CG2-CG 3.37Å; P125-Q180 HydrophobicContact CB-CG 4Å; F176-Q180 PolarHBondContact O-N 2.73Å; F176-Q180 PolarHBondContact O-NE2 3.01Å; Y177-Q180 PolarHBondContact O-N 3.11Å; I178-Q180 PolarHBondContact O-N 2.98Å; Q180-P256 HydrophobicContact CB-CB 3.69Å; Q180-P256 HydrophobicContact CB-CG 4.25Å
181S97.6Very high98.1Very high3 Ų319.1 Ų19.12%0.0219%0.094CC..SBendtrans-77.2151.9-173-65.10000113.6K157 Y177 I178 T183 P256 K257K157-S181 PolarHBondContact NZ-O 3.29Å; Y177-S181 WeakPolarHBondContact CE2-OG 3.42Å; Y177-S181 VanDerWaalsContact O-CB 3.27Å; Y177-S181 WeakPolarHBondContact O-CB 3.43Å; Y177-S181 PolarHBondContact O-N 3.37Å; Y177-S181 VanDerWaalsContact O-N 3.07Å; Y177-S181 PolarHBondContact O-OG 2.95Å; I178-S181 PolarHBondContact O-N 2.69Å; S181-T183 CarbonylContact O-C 3.52Å; S181-T183 PolarHBondContact O-N 3.48Å; S181-P256 WeakPolarHBondContact OG-CA 3.43Å; S181-K257 CarbonylContact C-O 3.43Å; S181-K257 WeakPolarHBondContact CA-O 3.42Å; S181-K257 PolarHBondContact OG-N 2.62Å
182D96Very high98.1Very high71 Ų7118.6 Ų18.638%0.389%0.091SC..SBendtrans56.3-110.7-176.8-53.7-62.6000111.2K257 R368D182-K257 PolarHBondContact N-O 3.37Å; D182-K257 IonicContact OD1-NZ 2.94Å; D182-R368 WeakPolarHBondContact O-CD 3.35Å
183T96.1Very high98Very high15 Ų1520.8 Ų20.89%0.09210%0.102CC..SBendtrans-93.3119.5166.7-53.80000108.5E123 K157 S181 N369E123-T183 HydrophobicContact CB-CG2 4.07Å; E123-T183 VanDerWaalsContact CD-CG2 3.4Å; E123-T183 HydrophobicContact CG-CG2 3.77Å; E123-T183 WeakPolarHBondContact OE1-CG2 3.48Å; K157-T183 VanDerWaalsContact CE-O 3.25Å; K157-T183 WeakPolarHBondContact CE-O 3.43Å; K157-T183 PolarHBondContact NZ-O 3.35Å; S181-T183 CarbonylContact O-C 3.52Å; S181-T183 PolarHBondContact O-N 3.48Å; T183-N369 HydrophobicContact CG2-CB 4.19Å; T183-N369 VanDerWaalsContact OG1-CA 3.28Å; T183-N369 WeakPolarHBondContact OG1-CA 3.27Å; T183-N369 WeakPolarHBondContact OG1-CB 3.37Å; T183-N369 PolarHBondContact OG1-N 3.19Å; T183-N369 PolarHBondContact OG1-ND2 3.48Å
184P98Very high97.9Very high8 Ų820.1 Ų20.15%0.05210%0.097CC..  trans-63.7158.7-177.5-13.926.1000112.5E123 P125 A179 L289E123-P184 CarbonylContact C-O 3.56Å; E123-P184 VanDerWaalsContact CA-O 3.31Å; E123-P184 WeakPolarHBondContact CA-O 3.32Å; E123-P184 WeakPolarHBondContact O-CB 3.37Å; P125-P184 HydrophobicContact CB-CB 4Å; P125-P184 HydrophobicContact CG-CB 4.17Å; A179-P184 CarbonylContact O-C 3.56Å; A179-P184 WeakPolarHBondContact O-CA 3.29Å; A179-P184 WeakPolarHBondContact O-CB 3.4Å; P184-L289 HydrophobicContact CG-CD1 3.98Å; P184-L289 HydrophobicContact CG-CD2 4.26Å
185G98.2Very high97.7Very high2 Ų214.8 Ų14.82%0.0217%0.074CC..  trans174.7168.8-179.600000112.9S124 A179S124-G185 CarbonylContact O-C 3.5Å; S124-G185 VanDerWaalsContact O-C 3.24Å; S124-G185 WeakPolarHBondContact O-CA 3.35Å; A179-G185 WeakPolarHBondContact CA-O 3.24Å; A179-G185 PolarHBondContact O-N 2.94Å
186P98.8Very high97.7Very high1 Ų114.8 Ų14.81%0.0067%0.074CC..  trans-72.4147.8-17128.2-34.8000112.6V116 Q120 V126 I155 C156 K157V116-P186 HydrophobicContact CG1-CB 4.05Å; V116-P186 HydrophobicContact CG1-CG 3.94Å; Q120-P186 VanDerWaalsContact CA-CD 3.42Å; Q120-P186 HydrophobicContact CB-CG 3.77Å; Q120-P186 HydrophobicContact CG-CG 4.39Å; V126-P186 HydrophobicContact CB-CB 4.24Å; V126-P186 CarbonylContact O-C 3.57Å; V126-P186 WeakPolarHBondContact O-CA 3.25Å; I155-P186 WeakPolarHBondContact O-CG 3.41Å; C156-P186 CarbonylContact C-O 3.57Å; C156-P186 WeakPolarHBondContact CA-O 3.42Å; C156-P186 WeakPolarHBondContact CB-O 3.16Å; K157-P186 PolarHBondContact N-O 3.39Å
187V98.9Very high97.6Very high0 Ų017.4 Ų17.40%08%0.084CC..EExtended strand (participates in β ladder)trans-129.4149172.3-59.20000110.3V126 V127 L128 K157 W158 A175 I178 A179V126-V187 PolarHBondContact O-N 3.31Å; V127-V187 HydrophobicContact CB-CG2 4.24Å; V127-V187 HydrophobicContact CG2-CG2 3.59Å; L128-V187 PolarHBondContact N-O 3.33Å; K157-V187 HydrophobicContact CB-CG1 4.31Å; W158-V187 HydrophobicContact CB-CB 4.48Å; W158-V187 HydrophobicContact CB-CG1 3.99Å; W158-V187 HydrophobicContact CE3-CB 4.47Å; W158-V187 CarbonylContact O-C 3.52Å; W158-V187 VanDerWaalsContact O-CA 3.26Å; W158-V187 WeakPolarHBondContact O-CA 3.42Å; W158-V187 WeakPolarHBondContact O-CB 3.34Å; A175-V187 HydrophobicContact CB-CG2 3.95Å; I178-V187 HydrophobicContact CB-CG1 4.38Å; I178-V187 HydrophobicContact CG2-CG1 3.95Å; A179-V187 HydrophobicContact CB-CG1 4.14Å; A179-V187 HydrophobicContact CB-CG2 4.04Å
188L98.9Very high97.4Very high0 Ų015.8 Ų15.80%08%0.083CC..EExtended strand (participates in β ladder)trans-115.3129.6178.317466.6000110.4L109 L128 A130 L149 F152 W158 C159 R160L109-L188 HydrophobicContact CD1-CD1 3.99Å; L109-L188 HydrophobicContact CD2-CD2 4.38Å; L128-L188 HydrophobicContact CB-CD1 4.2Å; L128-L188 HydrophobicContact CD2-CD1 4.05Å; L128-L188 HydrophobicContact CG-CD1 3.88Å; L128-L188 WeakPolarHBondContact O-CA 3.44Å; A130-L188 HydrophobicContact CB-CD1 3.74Å; L149-L188 HydrophobicContact CD2-CD2 4.04Å; F152-L188 HydrophobicContact CB-CD2 3.52Å; F152-L188 HydrophobicContact CD1-CD2 4.27Å; F152-L188 HydrophobicContact CD2-CD2 4.2Å; F152-L188 HydrophobicContact CG-CD2 3.72Å; W158-L188 PolarHBondContact O-N 2.8Å; C159-L188 CarbonylContact C-O 3.55Å; C159-L188 VanDerWaalsContact CA-O 3.29Å; C159-L188 WeakPolarHBondContact CA-O 3.46Å; C159-L188 HydrophobicContact CB-CB 4.35Å; R160-L188 PolarHBondContact N-O 3.07Å
189V98.8Very high97.2Very high0 Ų014.7 Ų14.70%08%0.076CC..EExtended strand (participates in β ladder)trans-120.1122.7168.8-1740000109.5L128 L129 A130 W158 R160 I162 V171 L172 A175 F191L128-V189 PolarHBondContact O-N 3.46Å; L129-V189 WeakPolarHBondContact CA-O 3.37Å; L129-V189 HydrophobicContact CD2-CB 4.14Å; A130-V189 PolarHBondContact N-O 2.87Å; W158-V189 HydrophobicContact CZ3-CG2 4.05Å; R160-V189 CarbonylContact O-C 3.49Å; R160-V189 WeakPolarHBondContact O-CA 3.34Å; I162-V189 HydrophobicContact CD1-CG1 3.54Å; I162-V189 HydrophobicContact CG1-CG1 4Å; V171-V189 HydrophobicContact CG1-CG1 3.86Å; V171-V189 HydrophobicContact CG1-CG2 4.48Å; L172-V189 HydrophobicContact CD2-CB 4.15Å; L172-V189 HydrophobicContact CD2-CG1 4.07Å; L172-V189 HydrophobicContact CD2-CG2 4.06Å; A175-V189 HydrophobicContact CB-CG2 3.65Å; V189-F191 HydrophobicContact CB-CE2 3.94Å; V189-F191 HydrophobicContact CB-CZ 4.47Å; V189-F191 HydrophobicContact CG1-CD2 4.29Å; V189-F191 HydrophobicContact CG1-CE2 3.54Å; V189-F191 HydrophobicContact CG1-CZ 3.74Å; V189-F191 WeakPolarHBondContact O-CD2 3.44Å
190E98.3Very high96.9Very high1 Ų119.8 Ų19.81%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-103.8131.6-176-178.5-173.947.400111.3A130 A132 Q148 L149 R160 R161 I162A130-E190 CarbonylContact O-C 3.57Å; A130-E190 WeakPolarHBondContact O-CA 3.31Å; A132-E190 HydrophobicContact CB-CG 3.56Å; Q148-E190 WeakPolarHBondContact CB-OE2 3.28Å; Q148-E190 PolarHBondContact NE2-OE2 3.26Å; L149-E190 HydrophobicContact CD2-CB 4.08Å; R160-E190 PolarHBondContact O-N 3.2Å; R161-E190 HydrophobicContact CB-CB 4.42Å; R161-E190 WeakPolarHBondContact CB-OE1 3.32Å; R161-E190 IonicContact CZ-OE1 3.74Å; R161-E190 IonicContact CZ-OE2 3.68Å; R161-E190 IonicContact NE-OE1 3.63Å; R161-E190 PolarHBondContact NE-OE1 3.08Å; R161-E190 IonicContact NH2-OE1 4Å; R161-E190 PolarHBondContact NH2-OE1 3.08Å; R161-E190 IonicContact NH2-OE2 2.71Å; R161-E190 PolarHBondContact NH2-OE2 3.2Å; I162-E190 PolarHBondContact N-O 2.94Å
191F98.2Very high96.7Very high0 Ų020.9 Ų20.90%011%0.105CC..EExtended strand (participates in β ladder)trans-120.198.9-175.5-65-97.4000111.2V41 I64 L129 A130 G131 A132 I162 I168 L172 V189 I193 L196V41-F191 HydrophobicContact CG2-CD1 4.31Å; V41-F191 HydrophobicContact CG2-CE1 3.49Å; V41-F191 VanDerWaalsContact CG2-CE1 3.49Å; V41-F191 HydrophobicContact CG2-CZ 3.88Å; I64-F191 HydrophobicContact CD1-CD2 4.44Å; L129-F191 HydrophobicContact CB-CE2 4.06Å; L129-F191 HydrophobicContact CD2-CE2 3.94Å; L129-F191 HydrophobicContact CD2-CZ 4.41Å; L129-F191 HydrophobicContact CG-CE2 4.45Å; A130-F191 PolarHBondContact O-N 3.44Å; G131-F191 CarbonylContact C-O 3.55Å; A132-F191 PolarHBondContact N-O 3.06Å; I162-F191 HydrophobicContact CD1-CD1 3.64Å; I162-F191 HydrophobicContact CD1-CE1 3.16Å; I162-F191 HydrophobicContact CD1-CE2 4.24Å; I162-F191 HydrophobicContact CD1-CG 4.38Å; I162-F191 HydrophobicContact CD1-CZ 3.5Å; I162-F191 VanDerWaalsContact CD1-CZ 3.5Å; I168-F191 HydrophobicContact CG1-CE1 4.36Å; I168-F191 HydrophobicContact CG2-CE1 4.3Å; L172-F191 HydrophobicContact CD1-CZ 4.04Å; L172-F191 HydrophobicContact CD2-CE2 4.5Å; L172-F191 HydrophobicContact CD2-CZ 3.93Å; L172-F191 HydrophobicContact CG-CZ 4.16Å; V189-F191 HydrophobicContact CB-CE2 3.94Å; V189-F191 HydrophobicContact CB-CZ 4.47Å; V189-F191 HydrophobicContact CG1-CD2 4.29Å; V189-F191 HydrophobicContact CG1-CE2 3.54Å; V189-F191 HydrophobicContact CG1-CZ 3.74Å; V189-F191 WeakPolarHBondContact O-CD2 3.44Å; F191-I193 PolarHBondContact O-N 3.18Å; F191-L196 HydrophobicContact CB-CD1 3.73Å; F191-L196 HydrophobicContact CB-CD2 4.29Å; F191-L196 HydrophobicContact CB-CG 4.04Å; F191-L196 HydrophobicContact CD1-CD2 3.73Å; F191-L196 HydrophobicContact CD1-CG 4.37Å; F191-L196 HydrophobicContact CE1-CD2 4.4Å; F191-L196 HydrophobicContact CG-CD1 4.39Å; F191-L196 HydrophobicContact CG-CD2 4.27Å
192P97.2Very high96.5Very high5 Ų521.4 Ų21.43%0.03211%0.108CC..EExtended strand (participates in β ladder)trans-47.4131.6161.4-29.232.3000112R161 I162 D194 L195R161-P192 HydrophobicContact CG-CG 4.18Å; I162-P192 WeakPolarHBondContact O-CD 3.43Å; P192-D194 VanDerWaalsContact CB-OD1 3.24Å; P192-D194 WeakPolarHBondContact CB-OD1 3.46Å; P192-D194 PolarHBondContact O-N 3.49Å; P192-D194 VanDerWaalsContact O-N 3.14Å; P192-L195 HydrophobicContact CB-CD1 3.87Å; P192-L195 HydrophobicContact CB-CG 4.36Å; P192-L195 HydrophobicContact CG-CD1 3.85Å; P192-L195 WeakPolarHBondContact O-CB 3.41Å; P192-L195 PolarHBondContact O-N 3.11Å
193I95.9Very high96.4Very high46 Ų4620.4 Ų20.424%0.23610%0.101CC..Hα-helixtrans-56.6-34.2-172.4-166.1172.9000113.2A132 F191 L195 L196 Y197A132-I193 PolarHBondContact O-N 3.09Å; F191-I193 PolarHBondContact O-N 3.18Å; I193-L195 PolarHBondContact O-N 3.2Å; I193-L196 PolarHBondContact O-N 3.41Å; I193-Y197 HydrophobicContact CD1-CD2 4.46Å; I193-Y197 HydrophobicContact CD1-CE2 3.88Å; I193-Y197 HydrophobicContact CG1-CD2 3.7Å; I193-Y197 HydrophobicContact CG1-CE2 3.48Å; I193-Y197 VanDerWaalsContact CG1-CE2 3.48Å; I193-Y197 WeakPolarHBondContact O-CD2 3.49Å
194D95.5Very high96.1Very high8 Ų826.3 Ų26.34%0.04313%0.128CC..Hα-helixtrans-69-12.6179.652.7-19.2000114.3S134 G135 P192 V202 Y227 L231 F232S134-D194 WeakPolarHBondContact CA-OD1 3.49Å; G135-D194 PolarHBondContact N-OD1 2.75Å; G135-D194 PolarHBondContact N-OD2 2.63Å; P192-D194 VanDerWaalsContact CB-OD1 3.24Å; P192-D194 WeakPolarHBondContact CB-OD1 3.46Å; P192-D194 PolarHBondContact O-N 3.49Å; P192-D194 VanDerWaalsContact O-N 3.14Å; D194-V202 HydrophobicContact CB-CG1 3.69Å; D194-V202 HydrophobicContact CB-CG2 4.27Å; D194-V202 WeakPolarHBondContact O-CG2 3.44Å; D194-Y227 WeakPolarHBondContact OD2-CE1 3.21Å; D194-Y227 PolarHBondContact OD2-OH 3.27Å; D194-L231 HydrophobicContact CB-CD2 4.02Å; D194-F232 WeakPolarHBondContact O-CZ 3.42Å
195L95.7Very high95.6Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-80.9-27.4169.5-67.8161.2000112.9G37 I162 Y164 V165 P192 I193 L231G37-L195 VanDerWaalsContact CA-O 3.29Å; G37-L195 WeakPolarHBondContact CA-O 3.31Å; G37-L195 PolarHBondContact N-O 2.69Å; I162-L195 HydrophobicContact CB-CD1 4.06Å; I162-L195 HydrophobicContact CG2-CD1 3.72Å; I162-L195 HydrophobicContact CG2-CD2 4.43Å; I162-L195 VanDerWaalsContact O-CD1 3.23Å; I162-L195 WeakPolarHBondContact O-CD1 3.41Å; Y164-L195 VanDerWaalsContact C-CD2 3.43Å; V165-L195 HydrophobicContact CG2-CD2 3.86Å; P192-L195 HydrophobicContact CB-CD1 3.87Å; P192-L195 HydrophobicContact CB-CG 4.36Å; P192-L195 HydrophobicContact CG-CD1 3.85Å; P192-L195 WeakPolarHBondContact O-CB 3.41Å; P192-L195 PolarHBondContact O-N 3.11Å; I193-L195 PolarHBondContact O-N 3.2Å; L195-L231 HydrophobicContact CD2-CD1 3.3Å; L195-L231 HydrophobicContact CD2-CG 3.99Å; L195-L231 HydrophobicContact CG-CD1 3.89Å
196L97.3Very high95Very high0 Ų033.5 Ų33.50%016%0.162CC..Hα-helixtrans-91.6-18.3-168.6-68.8178.8000113.2Y36 G37 V41 H60 P63 I64 F191 I193Y36-L196 WeakPolarHBondContact CB-O 3.25Å; Y36-L196 WeakPolarHBondContact CD2-O 3.48Å; G37-L196 PolarHBondContact N-O 2.83Å; V41-L196 HydrophobicContact CG2-CD2 4.27Å; H60-L196 WeakPolarHBondContact O-CD1 3.35Å; P63-L196 HydrophobicContact CB-CB 4.14Å; P63-L196 WeakPolarHBondContact CB-O 3.46Å; P63-L196 HydrophobicContact CG-CB 3.97Å; P63-L196 WeakPolarHBondContact CG-O 3.29Å; I64-L196 HydrophobicContact CD1-CD1 3.9Å; I64-L196 HydrophobicContact CD1-CD2 4.06Å; I64-L196 HydrophobicContact CG1-CD1 4.1Å; I64-L196 HydrophobicContact CG1-CD2 3.85Å; F191-L196 HydrophobicContact CB-CD1 3.73Å; F191-L196 HydrophobicContact CB-CD2 4.29Å; F191-L196 HydrophobicContact CB-CG 4.04Å; F191-L196 HydrophobicContact CD1-CD2 3.73Å; F191-L196 HydrophobicContact CD1-CG 4.37Å; F191-L196 HydrophobicContact CE1-CD2 4.4Å; F191-L196 HydrophobicContact CG-CD1 4.39Å; F191-L196 HydrophobicContact CG-CD2 4.27Å; I193-L196 PolarHBondContact O-N 3.41Å
197Y96.3Very high94.1Very high58 Ų5842.1 Ų42.123%0.22720%0.199CC..SBendtrans-101.7159.4-177-79.9-96.5000112.7G59 P63 I193 L201G59-Y197 PolarHBondContact O-OH 2.81Å; P63-Y197 HydrophobicContact CG-CD1 4.17Å; P63-Y197 HydrophobicContact CG-CD2 3.63Å; P63-Y197 HydrophobicContact CG-CE1 4Å; P63-Y197 HydrophobicContact CG-CE2 3.4Å; P63-Y197 VanDerWaalsContact CG-CE2 3.4Å; P63-Y197 HydrophobicContact CG-CG 4.04Å; I193-Y197 HydrophobicContact CD1-CD2 4.46Å; I193-Y197 HydrophobicContact CD1-CE2 3.88Å; I193-Y197 HydrophobicContact CG1-CD2 3.7Å; I193-Y197 HydrophobicContact CG1-CE2 3.48Å; I193-Y197 VanDerWaalsContact CG1-CE2 3.48Å; I193-Y197 WeakPolarHBondContact O-CD2 3.49Å; Y197-L201 HydrophobicContact CD1-CD2 3.3Å; Y197-L201 HydrophobicContact CE1-CD2 3.96Å; Y197-L201 HydrophobicContact CG-CD2 3.98Å
198P95.1Very high93.2Very high39 Ų3943.9 Ų43.925%0.25321%0.208SC..  trans-60.6146.7178.4-2130.3000113.2Y36 K200 L201 V202Y36-P198 HydrophobicContact CD1-CG 4.43Å; Y36-P198 HydrophobicContact CG-CG 4.47Å; P198-K200 VanDerWaalsContact C-N 3.32Å; P198-K200 PolarHBondContact O-N 3.07Å; P198-L201 PolarHBondContact O-N 2.99Å; P198-V202 PolarHBondContact O-N 3.49Å; P198-V202 VanDerWaalsContact O-N 3.15Å
199Y94.3Very high92Very high11 Ų1146.4 Ų46.44%0.04323%0.226CC..Hα-helixtrans-47.8-50.2-178.5174.3-84.4000112.8I29 K31 L201 V202 E203 L228 F232I29-Y199 HydrophobicContact CG2-CD2 4.24Å; I29-Y199 HydrophobicContact CG2-CE2 4.28Å; K31-Y199 HydrophobicContact CB-CD1 3.96Å; K31-Y199 HydrophobicContact CB-CE1 3.79Å; K31-Y199 HydrophobicContact CD-CE1 4.01Å; K31-Y199 HydrophobicContact CG-CD1 4.22Å; K31-Y199 HydrophobicContact CG-CE1 3.72Å; K31-Y199 HydrophobicContact CG-CE2 4.32Å; Y199-L201 VanDerWaalsContact C-N 3.31Å; Y199-L201 PolarHBondContact O-N 3.06Å; Y199-V202 PolarHBondContact O-N 3.43Å; Y199-E203 HydrophobicContact CD1-CB 4.48Å; Y199-E203 HydrophobicContact CE1-CB 4.04Å; Y199-E203 VanDerWaalsContact CE1-CD 3.5Å; Y199-E203 HydrophobicContact CE1-CG 4.32Å; Y199-E203 WeakPolarHBondContact CE1-OE2 3.2Å; Y199-E203 WeakPolarHBondContact O-CB 3.45Å; Y199-E203 PolarHBondContact O-N 3.31Å; Y199-E203 PolarHBondContact OH-OE1 3.22Å; Y199-L228 HydrophobicContact CE2-CB 4.17Å; Y199-F232 HydrophobicContact CD2-CB 4.19Å; Y199-F232 AromaticContact CD2-CD2 3.55Å; Y199-F232 HydrophobicContact CD2-CD2 3.55Å; Y199-F232 AromaticContact CD2-CE2 4Å; Y199-F232 HydrophobicContact CD2-CE2 4Å; Y199-F232 AromaticContact CD2-CG 3.84Å; Y199-F232 HydrophobicContact CD2-CG 3.84Å; Y199-F232 HydrophobicContact CE2-CD2 4.26Å; Y199-F232 HydrophobicContact CG-CD2 4.47Å
200K93Very high90.8Very high107 Ų10752.1 Ų52.147%0.46526%0.256SS..Hα-helixtrans-59.4-40.9-177.1-71.6-180179.1165.60112.5K31 S32 P198 Q204K31-K200 WeakPolarHBondContact O-CE 3.47Å; S32-K200 PolarHBondContact O-NZ 3.03Å; P198-K200 VanDerWaalsContact C-N 3.32Å; P198-K200 PolarHBondContact O-N 3.07Å; K200-Q204 VanDerWaalsContact O-CG 3.24Å; K200-Q204 WeakPolarHBondContact O-CG 3.5Å; K200-Q204 PolarHBondContact O-N 2.94Å
201L93.3Very high89.5Confident64 Ų6461.9 Ų61.934%0.33530%0.299SS..Hα-helixtrans-66.8-44.7179.2-165.187.5000110Y197 P198 Y199 Q204 H205Y197-L201 HydrophobicContact CD1-CD2 3.3Å; Y197-L201 HydrophobicContact CE1-CD2 3.96Å; Y197-L201 HydrophobicContact CG-CD2 3.98Å; P198-L201 PolarHBondContact O-N 2.99Å; Y199-L201 VanDerWaalsContact C-N 3.31Å; Y199-L201 PolarHBondContact O-N 3.06Å; L201-Q204 PolarHBondContact O-N 2.95Å; L201-H205 PolarHBondContact O-N 2.81Å; L201-H205 VanDerWaalsContact O-N 3.15Å; L201-H205 PolarHBondContact O-ND1 3.42Å
202V93.8Very high88.2Confident13 Ų1363.6 Ų63.68%0.07931%0.309CS..Hα-helixtrans-63.7-44.3178.3-179.60000110.8D194 P198 Y199 Q204 H205 T206 L228 L231 F232D194-V202 HydrophobicContact CB-CG1 3.69Å; D194-V202 HydrophobicContact CB-CG2 4.27Å; D194-V202 WeakPolarHBondContact O-CG2 3.44Å; P198-V202 PolarHBondContact O-N 3.49Å; P198-V202 VanDerWaalsContact O-N 3.15Å; Y199-V202 PolarHBondContact O-N 3.43Å; V202-Q204 PolarHBondContact O-N 2.86Å; V202-H205 PolarHBondContact O-N 3.49Å; V202-H205 VanDerWaalsContact O-N 3.16Å; V202-T206 WeakPolarHBondContact O-CG2 3.09Å; V202-T206 PolarHBondContact O-N 3.07Å; V202-T206 VanDerWaalsContact O-N 3.15Å; V202-L228 HydrophobicContact CG1-CD2 3.69Å; V202-L231 HydrophobicContact CG1-CD2 4.47Å; V202-F232 HydrophobicContact CB-CE2 4.19Å; V202-F232 HydrophobicContact CB-CZ 4.25Å; V202-F232 HydrophobicContact CG1-CE2 4.23Å; V202-F232 HydrophobicContact CG2-CE2 4.42Å; V202-F232 HydrophobicContact CG2-CZ 4.01Å
203E92.3Very high87.1Confident51 Ų5171 Ų7124%0.23835%0.349CS..Hα-helixtrans-58-46176.3-173.7176.1-120.900111.6Y199 H205 T206 L208 L228Y199-E203 HydrophobicContact CD1-CB 4.48Å; Y199-E203 HydrophobicContact CE1-CB 4.04Å; Y199-E203 VanDerWaalsContact CE1-CD 3.5Å; Y199-E203 HydrophobicContact CE1-CG 4.32Å; Y199-E203 WeakPolarHBondContact CE1-OE2 3.2Å; Y199-E203 WeakPolarHBondContact O-CB 3.45Å; Y199-E203 PolarHBondContact O-N 3.31Å; Y199-E203 PolarHBondContact OH-OE1 3.22Å; E203-H205 VanDerWaalsContact C-N 3.3Å; E203-H205 PolarHBondContact O-N 3.47Å; E203-T206 PolarHBondContact O-N 3.35Å; E203-T206 VanDerWaalsContact O-N 3.09Å; E203-T206 PolarHBondContact O-OG1 2.84Å; E203-L208 HydrophobicContact CG-CD1 4.11Å; E203-L228 HydrophobicContact CB-CD1 4.06Å; E203-L228 HydrophobicContact CG-CD1 3.94Å
204Q90Very high86.7Confident138 Ų13871.7 Ų71.765%0.64536%0.358SS*.Hα-helixtrans-58.2-41.3175.7-74169.6-6.800112.4K200 L201 V202 T206 K207K200-Q204 VanDerWaalsContact O-CG 3.24Å; K200-Q204 WeakPolarHBondContact O-CG 3.5Å; K200-Q204 PolarHBondContact O-N 2.94Å; L201-Q204 PolarHBondContact O-N 2.95Å; V202-Q204 PolarHBondContact O-N 2.86Å; Q204-T206 VanDerWaalsContact C-N 3.26Å; Q204-T206 PolarHBondContact O-N 3.22Å; Q204-K207 PolarHBondContact O-N 3.33Å; Q204-K207 VanDerWaalsContact O-N 3.14Å
205H88.4Confident86.3Confident138 Ų13877.5 Ų77.564%0.63939%0.388SS*.Hα-helixtrans-68.5-22.9178.3-75.483000113.3L201 V202 E203 K207L201-H205 PolarHBondContact O-N 2.81Å; L201-H205 VanDerWaalsContact O-N 3.15Å; L201-H205 PolarHBondContact O-ND1 3.42Å; V202-H205 PolarHBondContact O-N 3.49Å; V202-H205 VanDerWaalsContact O-N 3.16Å; E203-H205 VanDerWaalsContact C-N 3.3Å; E203-H205 PolarHBondContact O-N 3.47Å; H205-K207 PolarHBondContact O-N 2.79Å
206T85.1Confident85.9Confident24 Ų2487.2 Ų87.215%0.14743%0.425CS..THydrogen-bonded Turntrans-70.9-12173.368.20000113.8L136 V202 E203 Q204 L208 L228L136-T206 HydrophobicContact CD1-CG2 4Å; V202-T206 WeakPolarHBondContact O-CG2 3.09Å; V202-T206 PolarHBondContact O-N 3.07Å; V202-T206 VanDerWaalsContact O-N 3.15Å; E203-T206 PolarHBondContact O-N 3.35Å; E203-T206 VanDerWaalsContact O-N 3.09Å; E203-T206 PolarHBondContact O-OG1 2.84Å; Q204-T206 VanDerWaalsContact C-N 3.26Å; Q204-T206 PolarHBondContact O-N 3.22Å; T206-L208 PolarHBondContact O-N 3.43Å; T206-L208 WeakPolarHBondContact OG1-CG 3.3Å; T206-L228 HydrophobicContact CG2-CD1 4.19Å; T206-L228 HydrophobicContact CG2-CD2 4.03Å; T206-L228 HydrophobicContact CG2-CG 4.32Å
207K80.7Confident85.5Confident182 Ų18290.2 Ų90.279%0.79144%0.439SS*.THydrogen-bonded Turntrans51.837.9-178.2-59-176.7-179.2-1790113.6Q204 H205 S209Q204-K207 PolarHBondContact O-N 3.33Å; Q204-K207 VanDerWaalsContact O-N 3.14Å; H205-K207 PolarHBondContact O-N 2.79Å; K207-S209 PolarHBondContact O-N 2.98Å
208L79.4Confident85.1Confident36 Ų3692.8 Ų92.819%0.18845%0.451CS..  trans-54.7128.5171.5-80.5166.9000110.2E203 T206 N221 L224 R225 L228E203-L208 HydrophobicContact CG-CD1 4.11Å; T206-L208 PolarHBondContact O-N 3.43Å; T206-L208 WeakPolarHBondContact OG1-CG 3.3Å; L208-N221 HydrophobicContact CD2-CB 3.92Å; L208-L224 HydrophobicContact CD2-CB 3.75Å; L208-L224 HydrophobicContact CD2-CD1 3.97Å; L208-L224 HydrophobicContact CG-CB 4.34Å; L208-L224 HydrophobicContact CG-CD1 4.41Å; L208-R225 HydrophobicContact CD1-CG 3.98Å; L208-R225 HydrophobicContact CD2-CG 4.21Å; L208-L228 HydrophobicContact CD1-CD1 3.97Å
209S73.9Confident84.8Confident53 Ų5395.7 Ų95.737%0.37146%0.463SS..  trans-117.8112.7175.9177.60000110.1K207 K211 N221K207-S209 PolarHBondContact O-N 2.98Å; S209-K211 VanDerWaalsContact C-N 3.3Å; S209-N221 PolarHBondContact O-ND2 2.97Å
210D72.2Confident84.5Confident120 Ų12098 Ų9864%0.64248%0.478SS*.SBendtrans-78-15.4177.6-72.8-33.5000113.2T212 R225D210-T212 PolarHBondContact O-N 2.98Å; D210-R225 IonicContact OD1-CZ 3.57Å; D210-R225 IonicContact OD1-NH2 3.54Å; D210-R225 PolarHBondContact OD1-NH2 3.08Å; D210-R225 IonicContact OD2-NH2 2.76Å; D210-R225 PolarHBondContact OD2-NH2 3.25Å
211K72Confident84.4Confident206 Ų20693.4 Ų93.490%0.89646%0.459SS*.  trans-93.261.1-176-64.7-174.5178.6-178.20112.3S209S209-K211 VanDerWaalsContact C-N 3.3Å
212T71.2Confident84.2Confident37 Ų3798.4 Ų98.423%0.22747%0.474CS..  trans-143.1132.4-179-174.40000114.7D210 S214 Q217D210-T212 PolarHBondContact O-N 2.98Å; T212-S214 PolarHBondContact OG1-N 3.37Å; T212-Q217 HydrophobicContact CG2-CB 3.71Å; T212-Q217 HydrophobicContact CG2-CG 3.29Å
213N74.3Confident84.1Confident160 Ų160103.1 Ų103.186%0.85649%0.491SS*.  trans-90.8-5.5175.8-74.6-18.1000113.5L215N213-L215 PolarHBondContact O-N 3.5Å
214S86.4Confident84.1Confident61 Ų61101.8 Ų101.843%0.42749%0.485SS..  trans-75.1124.4-178.2177.40000111.8T212 R216 Q217 K218T212-S214 PolarHBondContact OG1-N 3.37Å; S214-R216 PolarHBondContact O-N 3.49Å; S214-R216 PolarHBondContact OG-N 2.89Å; S214-Q217 PolarHBondContact O-N 2.83Å; S214-Q217 VanDerWaalsContact O-N 3.1Å; S214-K218 PolarHBondContact O-N 3.36Å
215L88.2Confident84.1Confident130 Ų13099.3 Ų99.368%0.68147%0.47SS*.Hα-helixtrans-55.2-41.1175-178.864.8000111.8N213 Q217 K218 I219N213-L215 PolarHBondContact O-N 3.5Å; L215-Q217 VanDerWaalsContact C-N 3.33Å; L215-Q217 PolarHBondContact O-N 3.29Å; L215-K218 PolarHBondContact O-N 3.22Å; L215-I219 HydrophobicContact CG-CD1 4.25Å; L215-I219 WeakPolarHBondContact O-CG1 3.29Å; L215-I219 PolarHBondContact O-N 3Å
216R87.4Confident84.3Confident204 Ų20496.7 Ų96.777%0.7746%0.457SS*.Hα-helixtrans-58.5-45.3176.9-176.7-178.8178.3-171.80.2111.3S214 I219 V220S214-R216 PolarHBondContact O-N 3.49Å; S214-R216 PolarHBondContact OG-N 2.89Å; R216-I219 PolarHBondContact O-N 3.01Å; R216-V220 WeakPolarHBondContact O-CG2 3.45Å; R216-V220 PolarHBondContact O-N 3.02Å; R216-V220 VanDerWaalsContact O-N 3.07Å
217Q87.5Confident84.7Confident62 Ų6297.5 Ų97.529%0.2946%0.457SS..Hα-helixtrans-69.5-36.3179.5-171.261.540.100111.9T212 S214 L215 I219 V220 N221T212-Q217 HydrophobicContact CG2-CB 3.71Å; T212-Q217 HydrophobicContact CG2-CG 3.29Å; S214-Q217 PolarHBondContact O-N 2.83Å; S214-Q217 VanDerWaalsContact O-N 3.1Å; L215-Q217 VanDerWaalsContact C-N 3.33Å; L215-Q217 PolarHBondContact O-N 3.29Å; Q217-I219 VanDerWaalsContact C-N 3.32Å; Q217-I219 PolarHBondContact O-N 3.12Å; Q217-V220 PolarHBondContact O-N 2.98Å; Q217-N221 PolarHBondContact NE2-OD1 2.84Å; Q217-N221 WeakPolarHBondContact O-CB 3.26Å; Q217-N221 VanDerWaalsContact O-CG 3.28Å; Q217-N221 PolarHBondContact O-N 3.29Å; Q217-N221 PolarHBondContact O-OD1 2.91Å
218K87.8Confident85.3Confident113 Ų11388.8 Ų88.849%0.49142%0.42SS..Hα-helixtrans-59.2-42.3172.9-70.3179.7-179.6178.70111.9S214 L215 N221 W222S214-K218 PolarHBondContact O-N 3.36Å; L215-K218 PolarHBondContact O-N 3.22Å; K218-N221 PolarHBondContact O-N 3.34Å; K218-W222 WeakPolarHBondContact O-CB 3.47Å; K218-W222 PolarHBondContact O-N 2.79Å
219I89.7Confident85.9Confident100 Ų10089.9 Ų89.951%0.51342%0.421SS..Hα-helixtrans-63.6-45.5175.8-66.3166.4000110.9L215 R216 Q217 W222 Y223L215-I219 HydrophobicContact CG-CD1 4.25Å; L215-I219 WeakPolarHBondContact O-CG1 3.29Å; L215-I219 PolarHBondContact O-N 3Å; R216-I219 PolarHBondContact O-N 3.01Å; Q217-I219 VanDerWaalsContact C-N 3.32Å; Q217-I219 PolarHBondContact O-N 3.12Å; I219-W222 PolarHBondContact O-N 3.14Å; I219-Y223 PolarHBondContact O-N 2.76Å
220V88.6Confident86.8Confident58 Ų5888.8 Ų88.835%0.35241%0.411SS..Hα-helixtrans-60.9-46.6176.8171.90000111.2R216 Q217 W222 Y223 L224R216-V220 WeakPolarHBondContact O-CG2 3.45Å; R216-V220 PolarHBondContact O-N 3.02Å; R216-V220 VanDerWaalsContact O-N 3.07Å; Q217-V220 PolarHBondContact O-N 2.98Å; V220-W222 VanDerWaalsContact C-N 3.34Å; V220-W222 PolarHBondContact O-N 2.96Å; V220-Y223 PolarHBondContact O-N 3.07Å; V220-L224 HydrophobicContact CG1-CD1 3.95Å; V220-L224 HydrophobicContact CG1-CG 4.36Å; V220-L224 WeakPolarHBondContact O-CG 3.38Å; V220-L224 PolarHBondContact O-N 3Å
221N89.6Confident87.8Confident12 Ų1283.2 Ų83.26%0.06438%0.382CS..Hα-helixtrans-61.3-42.6177.4-72.8-5.6000111.7L208 S209 Q217 K218 L224 R225L208-N221 HydrophobicContact CD2-CB 3.92Å; S209-N221 PolarHBondContact O-ND2 2.97Å; Q217-N221 PolarHBondContact NE2-OD1 2.84Å; Q217-N221 WeakPolarHBondContact O-CB 3.26Å; Q217-N221 VanDerWaalsContact O-CG 3.28Å; Q217-N221 PolarHBondContact O-N 3.29Å; Q217-N221 PolarHBondContact O-OD1 2.91Å; K218-N221 PolarHBondContact O-N 3.34Å; N221-L224 PolarHBondContact O-N 3.18Å; N221-R225 WeakPolarHBondContact O-CB 3.22Å; N221-R225 VanDerWaalsContact O-CG 3.26Å; N221-R225 WeakPolarHBondContact O-CG 3.4Å; N221-R225 PolarHBondContact O-N 3.1Å
222W89.8Confident88.9Confident169 Ų16973.7 Ų73.764%0.6434%0.34SS*.Hα-helixtrans-59.7-46.8175.2173.279.9000111.4K218 I219 V220 R225 F226K218-W222 WeakPolarHBondContact O-CB 3.47Å; K218-W222 PolarHBondContact O-N 2.79Å; I219-W222 PolarHBondContact O-N 3.14Å; V220-W222 VanDerWaalsContact C-N 3.34Å; V220-W222 PolarHBondContact O-N 2.96Å; W222-R225 PolarHBondContact O-N 3.42Å; W222-F226 VanDerWaalsContact O-CB 3.26Å; W222-F226 WeakPolarHBondContact O-CB 3.41Å; W222-F226 PolarHBondContact O-N 3.49Å
223Y91.2Very high89.9Confident112 Ų11272 Ų7244%0.43933%0.33SS..Hα-helixtrans-60.2-46.6176.4170.6-97.6000112.4L136 I219 V220 F226 Y227L136-Y223 HydrophobicContact CD2-CE1 3.82Å; I219-Y223 PolarHBondContact O-N 2.76Å; V220-Y223 PolarHBondContact O-N 3.07Å; Y223-F226 WeakPolarHBondContact O-CB 3.42Å; Y223-F226 PolarHBondContact O-N 3.03Å; Y223-Y227 WeakPolarHBondContact O-CB 3.43Å; Y223-Y227 PolarHBondContact O-N 2.95Å
224L92.2Very high90.5Very high23 Ų2366.8 Ų66.812%0.1230%0.302CS..Hα-helixtrans-65.2-42.4179.1-71.7175.3000111.9L136 L208 V220 N221 F226 Y227 L228L136-L224 HydrophobicContact CD1-CD2 3.64Å; L136-L224 HydrophobicContact CD2-CD2 3.99Å; L136-L224 HydrophobicContact CG-CD2 4.48Å; L208-L224 HydrophobicContact CD2-CB 3.75Å; L208-L224 HydrophobicContact CD2-CD1 3.97Å; L208-L224 HydrophobicContact CG-CB 4.34Å; L208-L224 HydrophobicContact CG-CD1 4.41Å; V220-L224 HydrophobicContact CG1-CD1 3.95Å; V220-L224 HydrophobicContact CG1-CG 4.36Å; V220-L224 WeakPolarHBondContact O-CG 3.38Å; V220-L224 PolarHBondContact O-N 3Å; N221-L224 PolarHBondContact O-N 3.18Å; L224-F226 VanDerWaalsContact C-N 3.32Å; L224-F226 PolarHBondContact O-N 3.11Å; L224-Y227 WeakPolarHBondContact O-CB 3.18Å; L224-Y227 PolarHBondContact O-N 2.82Å; L224-L228 WeakPolarHBondContact O-CG 3.28Å; L224-L228 PolarHBondContact O-N 2.86Å
225R91.1Very high90.6Very high85 Ų8564.1 Ų64.132%0.32129%0.285SS..Hα-helixtrans-63.2-39.8174.1-72.6-178.7-177.7-73.47111.5L208 D210 N221 W222 Y229L208-R225 HydrophobicContact CD1-CG 3.98Å; L208-R225 HydrophobicContact CD2-CG 4.21Å; D210-R225 IonicContact OD1-CZ 3.57Å; D210-R225 IonicContact OD1-NH2 3.54Å; D210-R225 PolarHBondContact OD1-NH2 3.08Å; D210-R225 IonicContact OD2-NH2 2.76Å; D210-R225 PolarHBondContact OD2-NH2 3.25Å; N221-R225 WeakPolarHBondContact O-CB 3.22Å; N221-R225 VanDerWaalsContact O-CG 3.26Å; N221-R225 WeakPolarHBondContact O-CG 3.4Å; N221-R225 PolarHBondContact O-N 3.1Å; W222-R225 PolarHBondContact O-N 3.42Å; R225-Y229 VanDerWaalsContact O-CB 3.26Å; R225-Y229 WeakPolarHBondContact O-CB 3.4Å; R225-Y229 PolarHBondContact O-N 2.83Å
226F91.8Very high90.6Very high83 Ų8359 Ų5936%0.36426%0.257SS..Hα-helixtrans-65.7-39.5174.6-178.6-101.1000112.1H24 W222 Y223 L224 Y229 N230H24-F226 AromaticContact CE1-CE2 3.83Å; H24-F226 AromaticContact NE2-CD2 3.92Å; H24-F226 AromaticContact NE2-CE2 3.14Å; H24-F226 WeakPolarHBondContact NE2-CE2 3.45Å; H24-F226 AromaticContact NE2-CZ 3.79Å; W222-F226 VanDerWaalsContact O-CB 3.26Å; W222-F226 WeakPolarHBondContact O-CB 3.41Å; W222-F226 PolarHBondContact O-N 3.49Å; Y223-F226 WeakPolarHBondContact O-CB 3.42Å; Y223-F226 PolarHBondContact O-N 3.03Å; L224-F226 VanDerWaalsContact C-N 3.32Å; L224-F226 PolarHBondContact O-N 3.11Å; F226-Y229 PolarHBondContact O-N 3.38Å; F226-N230 VanDerWaalsContact CD1-ND2 3.32Å; F226-N230 WeakPolarHBondContact CD1-ND2 3.5Å; F226-N230 WeakPolarHBondContact CE1-ND2 3.26Å; F226-N230 WeakPolarHBondContact CE2-ND2 3.35Å; F226-N230 WeakPolarHBondContact CZ-ND2 3.37Å; F226-N230 PolarHBondContact O-N 3.24Å; F226-N230 PolarHBondContact O-ND2 3.06Å
227Y93.4Very high90.3Very high41 Ų4152.4 Ų52.416%0.16124%0.242CC..Hα-helixtrans-60.1-54.6173.3175.2-93.2000111.2G135 L136 D194 Y223 L224 Y229 N230 L231G135-Y227 VanDerWaalsContact CA-OH 3.24Å; G135-Y227 WeakPolarHBondContact CA-OH 3.49Å; G135-Y227 PolarHBondContact N-OH 2.82Å; L136-Y227 HydrophobicContact CD1-CD1 3.65Å; L136-Y227 HydrophobicContact CD1-CE1 3.73Å; L136-Y227 HydrophobicContact CD1-CG 4.3Å; L136-Y227 HydrophobicContact CD2-CD1 3.91Å; L136-Y227 HydrophobicContact CD2-CD2 3.78Å; L136-Y227 HydrophobicContact CD2-CE1 4.18Å; L136-Y227 HydrophobicContact CD2-CE2 4.05Å; L136-Y227 HydrophobicContact CD2-CG 3.7Å; L136-Y227 HydrophobicContact CG-CD1 3.67Å; L136-Y227 HydrophobicContact CG-CD2 4.16Å; L136-Y227 HydrophobicContact CG-CE1 3.52Å; L136-Y227 HydrophobicContact CG-CE2 4.02Å; L136-Y227 HydrophobicContact CG-CG 3.99Å; D194-Y227 WeakPolarHBondContact OD2-CE1 3.21Å; D194-Y227 PolarHBondContact OD2-OH 3.27Å; Y223-Y227 WeakPolarHBondContact O-CB 3.43Å; Y223-Y227 PolarHBondContact O-N 2.95Å; L224-Y227 WeakPolarHBondContact O-CB 3.18Å; L224-Y227 PolarHBondContact O-N 2.82Å; Y227-Y229 VanDerWaalsContact C-N 3.26Å; Y227-Y229 PolarHBondContact O-N 3.04Å; Y227-N230 PolarHBondContact O-N 3.25Å; Y227-L231 HydrophobicContact CE1-CD2 3.88Å; Y227-L231 WeakPolarHBondContact O-CB 3.43Å; Y227-L231 PolarHBondContact O-N 3.32Å
228L92.9Very high89.7Confident0 Ų050.7 Ų50.70%024%0.237CC..Hα-helixtrans-58.3-41178-69.2174.4000111.5Y199 V202 E203 T206 L208 L224 L231 F232Y199-L228 HydrophobicContact CE2-CB 4.17Å; V202-L228 HydrophobicContact CG1-CD2 3.69Å; E203-L228 HydrophobicContact CB-CD1 4.06Å; E203-L228 HydrophobicContact CG-CD1 3.94Å; T206-L228 HydrophobicContact CG2-CD1 4.19Å; T206-L228 HydrophobicContact CG2-CD2 4.03Å; T206-L228 HydrophobicContact CG2-CG 4.32Å; L208-L228 HydrophobicContact CD1-CD1 3.97Å; L224-L228 WeakPolarHBondContact O-CG 3.28Å; L224-L228 PolarHBondContact O-N 2.86Å; L228-L231 PolarHBondContact O-N 2.81Å; L228-F232 HydrophobicContact CD2-CE2 4.46Å; L228-F232 WeakPolarHBondContact O-CD2 3.47Å; L228-F232 PolarHBondContact O-N 3.01Å; L228-F232 VanDerWaalsContact O-N 3.11Å
229Y92.1Very high89Confident58 Ų5847.4 Ų47.423%0.22722%0.222CC..Hα-helixtrans-58.5-53.3176179.2-88.7000111.1H24 F27 I29 R225 F226 Y227 L231 F232 A233H24-Y229 HydrophobicContact CB-CE1 4.18Å; H24-Y229 AromaticContact CD2-CD1 3.49Å; H24-Y229 VanDerWaalsContact CD2-CD1 3.49Å; H24-Y229 WeakPolarHBondContact CD2-CD1 3.26Å; H24-Y229 AromaticContact CD2-CE1 3.12Å; H24-Y229 WeakPolarHBondContact CD2-CE1 3.39Å; H24-Y229 AromaticContact CG-CE1 3.78Å; H24-Y229 AromaticContact NE2-CD1 3.74Å; H24-Y229 AromaticContact NE2-CE1 3.71Å; H24-Y229 PolarHBondContact O-OH 3.03Å; F27-Y229 WeakPolarHBondContact CB-OH 3.16Å; F27-Y229 PolarHBondContact O-OH 2.78Å; I29-Y229 VanDerWaalsContact CD1-CA 3.41Å; I29-Y229 HydrophobicContact CD1-CD2 3.24Å; I29-Y229 HydrophobicContact CD1-CE2 3.74Å; I29-Y229 HydrophobicContact CD1-CG 3.74Å; I29-Y229 VanDerWaalsContact CD1-O 3.24Å; I29-Y229 WeakPolarHBondContact CD1-O 3.44Å; I29-Y229 HydrophobicContact CG1-CD2 4.12Å; I29-Y229 HydrophobicContact CG1-CE2 4.15Å; R225-Y229 VanDerWaalsContact O-CB 3.26Å; R225-Y229 WeakPolarHBondContact O-CB 3.4Å; R225-Y229 PolarHBondContact O-N 2.83Å; F226-Y229 PolarHBondContact O-N 3.38Å; Y227-Y229 VanDerWaalsContact C-N 3.26Å; Y227-Y229 PolarHBondContact O-N 3.04Å; Y229-L231 VanDerWaalsContact C-N 3.28Å; Y229-L231 PolarHBondContact O-N 2.96Å; Y229-F232 PolarHBondContact O-N 3.31Å; Y229-A233 HydrophobicContact CD1-CB 4.5Å; Y229-A233 HydrophobicContact CE1-CB 4.21Å; Y229-A233 WeakPolarHBondContact O-CA 3.4Å; Y229-A233 WeakPolarHBondContact O-CB 3.43Å; Y229-A233 PolarHBondContact O-N 2.89Å
230N92.9Very high87.6Confident30 Ų3046 Ų4616%0.1622%0.221CC..Hα-helixtrans-63.1-35.9179.9-76.5-61.5000112.9H24 Y164 R166 F226 Y227H24-N230 PolarHBondContact NE2-OD1 2.76Å; Y164-N230 HydrophobicContact CD1-CB 4.36Å; Y164-N230 WeakPolarHBondContact CD1-O 3.34Å; Y164-N230 HydrophobicContact CE1-CB 3.98Å; R166-N230 PolarHBondContact NH1-O 2.81Å; F226-N230 VanDerWaalsContact CD1-ND2 3.32Å; F226-N230 WeakPolarHBondContact CD1-ND2 3.5Å; F226-N230 WeakPolarHBondContact CE1-ND2 3.26Å; F226-N230 WeakPolarHBondContact CE2-ND2 3.35Å; F226-N230 WeakPolarHBondContact CZ-ND2 3.37Å; F226-N230 PolarHBondContact O-N 3.24Å; F226-N230 PolarHBondContact O-ND2 3.06Å; Y227-N230 PolarHBondContact O-N 3.25Å
231L94.6Very high86.3Confident4 Ų450.4 Ų50.42%0.02124%0.238CC..Hα-helixtrans-60.2-48.3179.3-166.368.6000111.4N163 V165 D194 L195 V202 Y227 L228 Y229N163-L231 WeakPolarHBondContact O-CD1 3.34Å; V165-L231 WeakPolarHBondContact CG2-O 3.15Å; V165-L231 PolarHBondContact N-O 3.32Å; D194-L231 HydrophobicContact CB-CD2 4.02Å; L195-L231 HydrophobicContact CD2-CD1 3.3Å; L195-L231 HydrophobicContact CD2-CG 3.99Å; L195-L231 HydrophobicContact CG-CD1 3.89Å; V202-L231 HydrophobicContact CG1-CD2 4.47Å; Y227-L231 HydrophobicContact CE1-CD2 3.88Å; Y227-L231 WeakPolarHBondContact O-CB 3.43Å; Y227-L231 PolarHBondContact O-N 3.32Å; L228-L231 PolarHBondContact O-N 2.81Å; Y229-L231 VanDerWaalsContact C-N 3.28Å; Y229-L231 PolarHBondContact O-N 2.96Å
232F94.8Very high84.9Confident5 Ų553.9 Ų53.92%0.02226%0.261CS..Hα-helixtrans-101.4-15.1-171.2-73.3-80.5000115.6I29 V165 D194 Y199 V202 L228 Y229 N234 G235 F236I29-F232 HydrophobicContact CD1-CB 4.39Å; I29-F232 HydrophobicContact CG2-CB 4.3Å; V165-F232 HydrophobicContact CG2-CD1 3.85Å; V165-F232 HydrophobicContact CG2-CE1 4.04Å; V165-F232 HydrophobicContact CG2-CG 4.5Å; D194-F232 WeakPolarHBondContact O-CZ 3.42Å; Y199-F232 HydrophobicContact CD2-CB 4.19Å; Y199-F232 AromaticContact CD2-CD2 3.55Å; Y199-F232 HydrophobicContact CD2-CD2 3.55Å; Y199-F232 AromaticContact CD2-CE2 4Å; Y199-F232 HydrophobicContact CD2-CE2 4Å; Y199-F232 AromaticContact CD2-CG 3.84Å; Y199-F232 HydrophobicContact CD2-CG 3.84Å; Y199-F232 HydrophobicContact CE2-CD2 4.26Å; Y199-F232 HydrophobicContact CG-CD2 4.47Å; V202-F232 HydrophobicContact CB-CE2 4.19Å; V202-F232 HydrophobicContact CB-CZ 4.25Å; V202-F232 HydrophobicContact CG1-CE2 4.23Å; V202-F232 HydrophobicContact CG2-CE2 4.42Å; V202-F232 HydrophobicContact CG2-CZ 4.01Å; L228-F232 HydrophobicContact CD2-CE2 4.46Å; L228-F232 WeakPolarHBondContact O-CD2 3.47Å; L228-F232 PolarHBondContact O-N 3.01Å; L228-F232 VanDerWaalsContact O-N 3.11Å; Y229-F232 PolarHBondContact O-N 3.31Å; F232-N234 PolarHBondContact O-N 3.34Å; F232-G235 PolarHBondContact O-N 3.46Å; F232-F236 AromaticContact CD1-CE2 3.79Å; F232-F236 HydrophobicContact CD1-CE2 3.79Å; F232-F236 HydrophobicContact CD1-CZ 4.21Å; F232-F236 HydrophobicContact CE1-CE2 4.22Å; F232-F236 HydrophobicContact CE1-CZ 4.28Å
233A91.1Very high83.1Confident2 Ų248.7 Ų48.72%0.01725%0.251CS..THydrogen-bonded Turntrans-47119.8178.300000113.3F27 I29 R166 Y229 G235F27-A233 HydrophobicContact CB-CB 3.69Å; F27-A233 HydrophobicContact CD1-CB 4.19Å; F27-A233 HydrophobicContact CG-CB 4.12Å; I29-A233 HydrophobicContact CD1-CB 4.3Å; I29-A233 HydrophobicContact CG1-CB 4.37Å; R166-A233 PolarHBondContact NH1-O 3.13Å; R166-A233 VanDerWaalsContact NH1-O 3.09Å; Y229-A233 HydrophobicContact CD1-CB 4.5Å; Y229-A233 HydrophobicContact CE1-CB 4.21Å; Y229-A233 WeakPolarHBondContact O-CA 3.4Å; Y229-A233 WeakPolarHBondContact O-CB 3.43Å; Y229-A233 PolarHBondContact O-N 2.89Å; A233-G235 PolarHBondContact O-N 3.5Å; A233-G235 VanDerWaalsContact O-N 3.1Å
234N87.7Confident80.9Confident51 Ų5153.4 Ų53.427%0.27327%0.273SS..THydrogen-bonded Turntrans48.526-174.2-63.7-4.9000114.4F27 E28 F232 F236F27-N234 VanDerWaalsContact CA-OD1 3.31Å; F27-N234 WeakPolarHBondContact CA-OD1 3.26Å; F27-N234 HydrophobicContact CD1-CB 3.69Å; F27-N234 WeakPolarHBondContact CD1-ND2 3.15Å; F27-N234 HydrophobicContact CE1-CB 4.28Å; F27-N234 WeakPolarHBondContact CE1-ND2 3.45Å; E28-N234 PolarHBondContact N-OD1 3.37Å; E28-N234 PolarHBondContact O-N 3.44Å; E28-N234 PolarHBondContact O-OD1 2.9Å; F232-N234 PolarHBondContact O-N 3.34Å; N234-F236 VanDerWaalsContact C-N 3.3Å; N234-F236 PolarHBondContact O-N 3.33Å
235G88.2Confident78.5Confident5 Ų556.3 Ų56.35%0.05229%0.292CS..THydrogen-bonded Turntrans-64.2-36.7-177.700000113L40 F232 A233L40-G235 WeakPolarHBondContact CD1-O 3.46Å; F232-G235 PolarHBondContact O-N 3.46Å; A233-G235 PolarHBondContact O-N 3.5Å; A233-G235 VanDerWaalsContact O-N 3.1Å
236F89.3Confident75.9Confident22 Ų2260.7 Ų60.710%0.09632%0.322CS..THydrogen-bonded Turntrans-113.219.4-170.8-54.6-66.1000113.5H35 Y36 L40 V165 F232 N234 S238 K239 S240H35-F236 HydrophobicContact CB-CB 4.31Å; H35-F236 HydrophobicContact CB-CD1 3.68Å; H35-F236 HydrophobicContact CB-CD2 4.03Å; H35-F236 HydrophobicContact CB-CE1 3.92Å; H35-F236 HydrophobicContact CB-CE2 4.23Å; H35-F236 HydrophobicContact CB-CG 3.74Å; H35-F236 HydrophobicContact CB-CZ 4.19Å; Y36-F236 VanDerWaalsContact C-CE1 3.5Å; L40-F236 HydrophobicContact CD1-CD1 4.01Å; L40-F236 HydrophobicContact CD1-CE1 4.13Å; L40-F236 HydrophobicContact CD2-CD1 4.44Å; L40-F236 HydrophobicContact CG-CD1 4.3Å; L40-F236 HydrophobicContact CG-CE1 4.44Å; V165-F236 HydrophobicContact CG1-CD1 4.21Å; V165-F236 HydrophobicContact CG1-CE1 3.7Å; V165-F236 HydrophobicContact CG1-CE2 4.36Å; V165-F236 HydrophobicContact CG1-CZ 3.79Å; F232-F236 AromaticContact CD1-CE2 3.79Å; F232-F236 HydrophobicContact CD1-CE2 3.79Å; F232-F236 HydrophobicContact CD1-CZ 4.21Å; F232-F236 HydrophobicContact CE1-CE2 4.22Å; F232-F236 HydrophobicContact CE1-CZ 4.28Å; N234-F236 VanDerWaalsContact C-N 3.3Å; N234-F236 PolarHBondContact O-N 3.33Å; F236-S238 PolarHBondContact O-N 3.19Å; F236-S238 VanDerWaalsContact O-N 3.14Å; F236-K239 HydrophobicContact CB-CB 4.47Å; F236-K239 WeakPolarHBondContact O-CA 3.05Å; F236-K239 WeakPolarHBondContact O-CB 3.19Å; F236-K239 PolarHBondContact O-N 2.72Å; F236-S240 PolarHBondContact O-N 3.35Å; F236-S240 PolarHBondContact O-OG 2.76Å
237S80.2Confident73.7Confident65 Ų6559 Ų5946%0.45533%0.329SS..Hα-helixtrans-58.1-31.4-177.658.30000113.2K239 H241S237-K239 VanDerWaalsContact C-N 3.3Å; S237-K239 PolarHBondContact O-N 2.56Å; S237-H241 PolarHBondContact O-N 3.45Å
238S74Confident71.7Confident27 Ų2759.5 Ų59.519%0.18934%0.338CS..Hα-helixtrans-66-29.9173.7540000113.2F236F236-S238 PolarHBondContact O-N 3.19Å; F236-S238 VanDerWaalsContact O-N 3.14Å
239K74.3Confident70.2Confident43 Ų4362.3 Ų62.319%0.18735%0.353CS..Hα-helixtrans-83.3-35.9176.4-65.4-59-171.1-169.20112.4L40 D43 F236 S237 D249L40-K239 HydrophobicContact CD2-CG 4.08Å; D43-K239 IonicContact OD1-NZ 2.73Å; D43-K239 PolarHBondContact OD1-NZ 3.25Å; D43-K239 WeakPolarHBondContact OD2-CE 3.33Å; D43-K239 IonicContact OD2-NZ 3.36Å; D43-K239 PolarHBondContact OD2-NZ 3.43Å; F236-K239 HydrophobicContact CB-CB 4.47Å; F236-K239 WeakPolarHBondContact O-CA 3.05Å; F236-K239 WeakPolarHBondContact O-CB 3.19Å; F236-K239 PolarHBondContact O-N 2.72Å; S237-K239 VanDerWaalsContact C-N 3.3Å; S237-K239 PolarHBondContact O-N 2.56Å; K239-D249 IonicContact NZ-OD2 3.48Å; K239-D249 PolarHBondContact NZ-OD2 3.42Å
240S59.8Low69.4Low70 Ų7061.5 Ų61.549%0.4936%0.363SS..Hα-helixtrans-74-29.1178.1-50.20000113.4F236F236-S240 PolarHBondContact O-N 3.35Å; F236-S240 PolarHBondContact O-OG 2.76Å
241H62Low69.3Low152 Ų15260.9 Ų60.970%0.70436%0.359SS*.SBendtrans-13173.7177.3-60.4-61.6000110.9S237 S243S237-H241 PolarHBondContact O-N 3.45Å; H241-S243 PolarHBondContact O-N 2.86Å
242P59.2Low69Low84 Ų8466.1 Ų66.155%0.54539%0.391SS..  trans-61.4126.6176.623.6-30.4000109.7K244P242-K244 PolarHBondContact O-N 3.47Å
243S52.4Low68.9Low61 Ų6169 Ų6943%0.42741%0.409SS..  trans-56.4134.6171.21730000109.7H241 T245H241-S243 PolarHBondContact O-N 2.86Å; S243-T245 PolarHBondContact O-N 3.46Å; S243-T245 WeakPolarHBondContact OG-CG2 3.39Å; S243-T245 PolarHBondContact OG-N 3.45Å; S243-T245 PolarHBondContact OG-OG1 3.34Å
244K44.9Very low69.1Low210 Ų21076 Ų7691%0.91344%0.439SS*.SBendtrans-68.79.8174.6-72.3-172177.2-177.80114.1P242P242-K244 PolarHBondContact O-N 3.47Å
245T41.4Very low69.4Low84 Ų8478.4 Ų78.452%0.51546%0.46SS..SBendtrans-83.1117.1177.253.40000110.3S243 G247S243-T245 PolarHBondContact O-N 3.46Å; S243-T245 WeakPolarHBondContact OG-CG2 3.39Å; S243-T245 PolarHBondContact OG-N 3.45Å; S243-T245 PolarHBondContact OG-OG1 3.34Å; T245-G247 PolarHBondContact O-N 3.17Å
246N36.9Very low69.8Low177 Ų17780.2 Ų80.295%0.94747%0.47SS*.SBendtrans-61.896.4173.5-71.3-18.7000110.5
247G46.4Very low70.1Confident49 Ų4985 Ų8551%0.50549%0.491SS..SBendtrans146.8105.3176.800000111.7T245T245-G247 PolarHBondContact O-N 3.17Å
248S51.4Low71Confident50 Ų5083.8 Ų83.835%0.3548%0.479SS..G310 helixtrans36.577.7171.561.20000116G250 I251S248-G250 PolarHBondContact O-N 3.17Å; S248-I251 PolarHBondContact O-N 2.99Å
249D60.9Low72.1Confident59 Ų5983.7 Ų83.732%0.31648%0.478SS..G310 helixtrans41.319.9162.5-68.13.6000118.3K239 I251K239-D249 IonicContact NZ-OD2 3.48Å; K239-D249 PolarHBondContact NZ-OD2 3.42Å; D249-I251 VanDerWaalsContact C-N 3.32Å
250G75.5Confident73.2Confident42 Ų4287 Ų8743%0.43350%0.497SS..G310 helixtrans72.913.2-171.900000115.7S248 V252S248-G250 PolarHBondContact O-N 3.17Å; G250-V252 PolarHBondContact O-N 3.31Å
251I90Very high75Confident17 Ų1784.4 Ų84.49%0.08748%0.479CS..  trans-76.5114.9179-60.8178.6000110.1D43 V44 A47 I169 C173 S248 D249 V253D43-I251 HydrophobicContact CB-CD1 3.71Å; V44-I251 HydrophobicContact CG2-CD1 4.01Å; A47-I251 HydrophobicContact CB-CB 3.93Å; A47-I251 HydrophobicContact CB-CD1 4.44Å; A47-I251 HydrophobicContact CB-CG2 3.84Å; I169-I251 HydrophobicContact CD1-CD1 4.16Å; I169-I251 HydrophobicContact CD1-CG1 4.46Å; I169-I251 HydrophobicContact CG1-CD1 4.38Å; I169-I251 HydrophobicContact CG2-CD1 4.17Å; I169-I251 HydrophobicContact CG2-CG1 4.09Å; I169-I251 HydrophobicContact CG2-CG2 4.31Å; C173-I251 WeakPolarHBondContact SG-CG2 3.36Å; S248-I251 PolarHBondContact O-N 2.99Å; D249-I251 VanDerWaalsContact C-N 3.32Å; I251-V253 PolarHBondContact O-N 3Å
252V89.4Confident76.8Confident114 Ų11479.5 Ų79.569%0.69146%0.461SS*.  trans-84.6109179.6-178.20000111G250G250-V252 PolarHBondContact O-N 3.31Å
253V92.7Very high78.6Confident65 Ų6584 Ų8439%0.39447%0.473SS..PPolyproline II helixtrans-79.9117.3172176.10000110.4A47 I251A47-V253 HydrophobicContact CB-CG2 4.1Å; A47-V253 WeakPolarHBondContact O-CG2 3.42Å; I251-V253 PolarHBondContact O-N 3Å
254K93.8Very high80.8Confident148 Ų14891.5 Ų91.564%0.64349%0.491SS*.PPolyproline II helixtrans-83.9132.7177.2-65.7-176.3-179.7-177.90111.1Y177Y177-K254 HydrophobicContact CD2-CB 3.92Å; Y177-K254 HydrophobicContact CE2-CB 4.48Å
255S94.5Very high83.4Confident103 Ų10384 Ų8472%0.7246%0.459SS*.PPolyproline II helixtrans-63.6139.4171.8-48.70000110.9Y177Y177-S255 VanDerWaalsContact CE2-O 3.25Å; Y177-S255 WeakPolarHBondContact CE2-O 3.39Å
256P96.2Very high86.1Confident42 Ų4280.2 Ų80.227%0.27344%0.436SS..PPolyproline II helixtrans-65.5149.2-179.827.7-34.5000111.6Q180 S181 I258Q180-P256 HydrophobicContact CB-CB 3.69Å; Q180-P256 HydrophobicContact CB-CG 4.25Å; S181-P256 WeakPolarHBondContact OG-CA 3.43Å; P256-I258 HydrophobicContact CB-CG1 4.47Å; P256-I258 HydrophobicContact CG-CD1 4.19Å; P256-I258 HydrophobicContact CG-CG1 4.41Å
257K97.1Very high89Confident124 Ų12477.3 Ų77.354%0.53942%0.415SS..PPolyproline II helixtrans-80.9118.8173.3-179.4-173.4176.3-163.90109.2S181 D182S181-K257 CarbonylContact C-O 3.43Å; S181-K257 WeakPolarHBondContact CA-O 3.42Å; S181-K257 PolarHBondContact OG-N 2.62Å; D182-K257 PolarHBondContact N-O 3.37Å; D182-K257 IonicContact OD1-NZ 2.94Å
258I97.7Very high91.5Very high38 Ų3878.9 Ų78.920%0.19541%0.408CS..  trans-123.2127.3-178.5-57.4178.8000108.8P256 D390P256-I258 HydrophobicContact CB-CG1 4.47Å; P256-I258 HydrophobicContact CG-CD1 4.19Å; P256-I258 HydrophobicContact CG-CG1 4.41Å; I258-D390 HydrophobicContact CG2-CB 3.79Å
259P97.7Very high93.7Very high25 Ų2576.5 Ų76.516%0.16239%0.391CS..  trans-69.7135.1176.929.7-34.5000110.4R368 A389 D390P259-R368 HydrophobicContact CG-CB 4.03Å; P259-R368 HydrophobicContact CG-CG 4.09Å; P259-A389 CarbonylContact O-C 3.55Å; P259-A389 WeakPolarHBondContact O-CA 3.3Å; P259-D390 PolarHBondContact O-N 2.9Å
260L98.1Very high95.5Very high112 Ų11273.7 Ų73.759%0.58638%0.377SS*.  trans-113.4149.3-177.1-61178000111.2T393L260-T393 HydrophobicContact CD2-CG2 4.16Å
261P98Very high96.5Very high16 Ų1676.4 Ų76.410%0.10438%0.378CS..  trans-72.1146.2-179.731.7-36.2000111.2V266 I387 A389 T393 T394P261-V266 HydrophobicContact CB-CG2 3.94Å; P261-V266 HydrophobicContact CG-CG2 4.34Å; P261-I387 HydrophobicContact CB-CG2 4.11Å; P261-A389 HydrophobicContact CB-CB 3.91Å; P261-A389 HydrophobicContact CG-CB 4.45Å; P261-T393 HydrophobicContact CG-CG2 4.08Å; P261-T394 HydrophobicContact CB-CG2 4.27Å; P261-T394 WeakPolarHBondContact CB-OG1 3.36Å
262S98.3Very high96.9Very high49 Ų4975.9 Ų75.934%0.34338%0.376SS..  trans-82.1145.2170.871.60000111.5R264 Q265 V266S262-R264 PolarHBondContact O-N 3.04Å; S262-R264 VanDerWaalsContact O-N 3.11Å; S262-Q265 PolarHBondContact O-N 2.9Å; S262-Q265 WeakPolarHBondContact OG-CB 3.26Å; S262-Q265 VanDerWaalsContact OG-CD 3.3Å; S262-Q265 VanDerWaalsContact OG-CG 3.29Å; S262-Q265 WeakPolarHBondContact OG-CG 3.47Å; S262-Q265 PolarHBondContact OG-N 3.09Å; S262-Q265 PolarHBondContact OG-OE1 3.46Å; S262-V266 PolarHBondContact O-N 2.87Å
263K98Very high97.3Very high180 Ų18070.5 Ų70.578%0.78334%0.343SS*.Hα-helixtrans-52.2-35.5173.4-66.6-175.5179.4-178.90112.5K267K263-K267 WeakPolarHBondContact O-CB 3.32Å; K263-K267 VanDerWaalsContact O-CG 3.31Å; K263-K267 WeakPolarHBondContact O-CG 3.12Å; K263-K267 PolarHBondContact O-N 3.22Å
264R98.3Very high97.5Very high218 Ų21874 Ų7482%0.82335%0.349SS*.Hα-helixtrans-65.3-44.8177.9-177.3-178.9175-173.7-0.6112S262 K268S262-R264 PolarHBondContact O-N 3.04Å; S262-R264 VanDerWaalsContact O-N 3.11Å; R264-K268 WeakPolarHBondContact O-CB 3.29Å; R264-K268 PolarHBondContact O-N 2.96Å
265Q98.3Very high97.6Very high51 Ų5173.2 Ų73.224%0.23835%0.351CS..Hα-helixtrans-65.7-43.9177.9-76.6163.2-49.100111.4S262 K268 L269 L385 T386 I387S262-Q265 PolarHBondContact O-N 2.9Å; S262-Q265 WeakPolarHBondContact OG-CB 3.26Å; S262-Q265 VanDerWaalsContact OG-CD 3.3Å; S262-Q265 VanDerWaalsContact OG-CG 3.29Å; S262-Q265 WeakPolarHBondContact OG-CG 3.47Å; S262-Q265 PolarHBondContact OG-N 3.09Å; S262-Q265 PolarHBondContact OG-OE1 3.46Å; Q265-K268 PolarHBondContact O-N 2.91Å; Q265-L269 PolarHBondContact O-N 2.86Å; Q265-L385 HydrophobicContact CG-CD1 4.42Å; Q265-T386 PolarHBondContact NE2-O 3.4Å; Q265-I387 HydrophobicContact CB-CD1 3.99Å; Q265-I387 HydrophobicContact CB-CG1 4.04Å; Q265-I387 HydrophobicContact CB-CG2 4.49Å; Q265-I387 HydrophobicContact CG-CG1 4.32Å
266V98.5Very high97.8Very high5 Ų569 Ų693%0.0332%0.322CS..Hα-helixtrans-60.4-47.5177.2176.80000111P261 S262 K268 L269 A270 D397 L398 Q401P261-V266 HydrophobicContact CB-CG2 3.94Å; P261-V266 HydrophobicContact CG-CG2 4.34Å; S262-V266 PolarHBondContact O-N 2.87Å; V266-K268 VanDerWaalsContact C-N 3.31Å; V266-K268 PolarHBondContact O-N 2.99Å; V266-L269 PolarHBondContact O-N 2.92Å; V266-A270 PolarHBondContact O-N 3.19Å; V266-D397 HydrophobicContact CG1-CB 4.18Å; V266-D397 HydrophobicContact CG2-CB 4.07Å; V266-L398 HydrophobicContact CG1-CB 4.38Å; V266-L398 HydrophobicContact CG1-CD1 4.43Å; V266-Q401 HydrophobicContact CG1-CB 3.88Å; V266-Q401 HydrophobicContact CG1-CG 4.2Å
267K98.1Very high97.8Very high116 Ų11673.3 Ų73.350%0.50434%0.338SS..Hα-helixtrans-58.5-41.8174.6-76.9179.8178.9-169.80112.4K263 A270 Q271 Q401K263-K267 WeakPolarHBondContact O-CB 3.32Å; K263-K267 VanDerWaalsContact O-CG 3.31Å; K263-K267 WeakPolarHBondContact O-CG 3.12Å; K263-K267 PolarHBondContact O-N 3.22Å; K267-A270 PolarHBondContact O-N 3.34Å; K267-Q271 WeakPolarHBondContact O-CG 3.32Å; K267-Q271 PolarHBondContact O-N 2.92Å; K267-Q401 HydrophobicContact CG-CG 4.37Å
268K98.4Very high97.9Very high82 Ų8271 Ų7136%0.35733%0.328SS..Hα-helixtrans-65.4-41178.3-172.559.4175.8179.90111.6R264 Q265 V266 Q271 L272 L385R264-K268 WeakPolarHBondContact O-CB 3.29Å; R264-K268 PolarHBondContact O-N 2.96Å; Q265-K268 PolarHBondContact O-N 2.91Å; V266-K268 VanDerWaalsContact C-N 3.31Å; V266-K268 PolarHBondContact O-N 2.99Å; K268-Q271 WeakPolarHBondContact O-CB 3.39Å; K268-Q271 PolarHBondContact O-N 3.41Å; K268-L272 WeakPolarHBondContact O-CG 3.11Å; K268-L272 PolarHBondContact O-N 3.13Å; K268-L385 HydrophobicContact CB-CD2 4.27Å; K268-L385 HydrophobicContact CG-CD2 4.2Å
269L98.6Very high97.9Very high0 Ų069.2 Ų69.20%032%0.319CS..Hα-helixtrans-64.4-44.3175.8-179.449.8000111.8Q265 V266 Q271 L272 I273 I341 V364 I366 L385 I387 L398Q265-L269 PolarHBondContact O-N 2.86Å; V266-L269 PolarHBondContact O-N 2.92Å; L269-Q271 VanDerWaalsContact C-N 3.29Å; L269-Q271 PolarHBondContact O-N 2.88Å; L269-L272 WeakPolarHBondContact O-CB 3.14Å; L269-L272 PolarHBondContact O-N 3.12Å; L269-I273 HydrophobicContact CD1-CD1 4.28Å; L269-I273 HydrophobicContact CD1-CG1 4.42Å; L269-I273 HydrophobicContact CG-CD1 4.25Å; L269-I273 PolarHBondContact O-N 3.4Å; L269-I341 HydrophobicContact CD1-CD1 3.9Å; L269-I341 HydrophobicContact CD1-CG1 4.18Å; L269-V364 HydrophobicContact CD1-CB 4.22Å; L269-V364 HydrophobicContact CD1-CG1 3.87Å; L269-V364 HydrophobicContact CD1-CG2 3.85Å; L269-V364 HydrophobicContact CD2-CG1 4.25Å; L269-I366 HydrophobicContact CD2-CD1 4.16Å; L269-L385 HydrophobicContact CB-CD2 4.23Å; L269-I387 HydrophobicContact CD2-CD1 4.09Å; L269-L398 HydrophobicContact CB-CD1 4.09Å; L269-L398 HydrophobicContact CD2-CD1 4.21Å; L269-L398 HydrophobicContact CD2-CD2 3.67Å; L269-L398 HydrophobicContact CD2-CG 4.5Å; L269-L398 HydrophobicContact CG-CD1 3.82Å; L269-L398 HydrophobicContact CG-CD2 3.9Å
270A98Very high98Very high1 Ų168 Ų681%0.00831%0.311CS..Hα-helixtrans-57.7-41.1174.500000112.2V266 K267 I273 R274 L398 Q401 L402V266-A270 PolarHBondContact O-N 3.19Å; K267-A270 PolarHBondContact O-N 3.34Å; A270-I273 PolarHBondContact O-N 3.33Å; A270-R274 WeakPolarHBondContact O-CG 3.17Å; A270-R274 PolarHBondContact O-N 2.89Å; A270-R274 VanDerWaalsContact O-N 3.08Å; A270-L398 HydrophobicContact CB-CD1 3.95Å; A270-Q401 HydrophobicContact CB-CG 3.77Å; A270-L402 HydrophobicContact CB-CD2 3.83Å; A270-L402 HydrophobicContact CB-CG 4.23Å
271Q97.6Very high98Very high98 Ų9862.8 Ų62.846%0.45828%0.284SS..Hα-helixtrans-63.6-40.3173.8-73.5175.4-1700112.7K267 K268 L269 I273 R274 L275K267-Q271 WeakPolarHBondContact O-CG 3.32Å; K267-Q271 PolarHBondContact O-N 2.92Å; K268-Q271 WeakPolarHBondContact O-CB 3.39Å; K268-Q271 PolarHBondContact O-N 3.41Å; L269-Q271 VanDerWaalsContact C-N 3.29Å; L269-Q271 PolarHBondContact O-N 2.88Å; Q271-I273 VanDerWaalsContact C-N 3.32Å; Q271-R274 PolarHBondContact O-N 3.24Å; Q271-L275 VanDerWaalsContact O-CG 3.28Å; Q271-L275 WeakPolarHBondContact O-CG 3.36Å; Q271-L275 PolarHBondContact O-N 2.72Å
272L98.5Very high98.1Very high7 Ų762 Ų624%0.03728%0.279CS..Hα-helixtrans-63.2-41177.3-70177.3000111.6K268 L269 L275 S276 L339 K362 V364 Y384 L385K268-L272 WeakPolarHBondContact O-CG 3.11Å; K268-L272 PolarHBondContact O-N 3.13Å; L269-L272 WeakPolarHBondContact O-CB 3.14Å; L269-L272 PolarHBondContact O-N 3.12Å; L272-L275 PolarHBondContact O-N 2.79Å; L272-S276 WeakPolarHBondContact O-CB 3.28Å; L272-S276 PolarHBondContact O-N 3.3Å; L272-L339 HydrophobicContact CB-CD1 4.18Å; L272-L339 HydrophobicContact CB-CD2 4.2Å; L272-K362 HydrophobicContact CD2-CD 3.49Å; L272-K362 VanDerWaalsContact CD2-CD 3.49Å; L272-V364 HydrophobicContact CD1-CG2 3.77Å; L272-Y384 HydrophobicContact CD1-CD1 3.86Å; L272-Y384 HydrophobicContact CD1-CE1 3.98Å; L272-Y384 HydrophobicContact CD2-CD1 4.36Å; L272-Y384 HydrophobicContact CD2-CE1 3.82Å; L272-Y384 HydrophobicContact CG-CE1 4.47Å; L272-L385 HydrophobicContact CD1-CD2 4.39Å
273I97.9Very high98.1Very high1 Ų159.7 Ų59.71%0.00526%0.263CS..Hα-helixtrans-62-49.1176.9-72.4167.3000111L269 A270 Q271 L275 S276 L306 L339 I341 L398 L402 N410L269-I273 HydrophobicContact CD1-CD1 4.28Å; L269-I273 HydrophobicContact CD1-CG1 4.42Å; L269-I273 HydrophobicContact CG-CD1 4.25Å; L269-I273 PolarHBondContact O-N 3.4Å; A270-I273 PolarHBondContact O-N 3.33Å; Q271-I273 VanDerWaalsContact C-N 3.32Å; I273-L275 PolarHBondContact O-N 2.76Å; I273-L275 VanDerWaalsContact O-N 3.13Å; I273-S276 PolarHBondContact O-N 2.78Å; I273-S276 VanDerWaalsContact O-N 3.11Å; I273-L306 HydrophobicContact CD1-CD1 4.03Å; I273-L306 HydrophobicContact CG1-CD1 4.43Å; I273-L306 HydrophobicContact CG2-CD2 4.08Å; I273-L339 HydrophobicContact CB-CD2 4.46Å; I273-L339 HydrophobicContact CG1-CD2 3.85Å; I273-I341 HydrophobicContact CD1-CD1 3.89Å; I273-I341 HydrophobicContact CG1-CD1 3.95Å; I273-L398 HydrophobicContact CD1-CD1 4.1Å; I273-L398 HydrophobicContact CD1-CD2 3.75Å; I273-L398 HydrophobicContact CD1-CG 4.25Å; I273-L402 HydrophobicContact CD1-CD1 4.05Å; I273-L402 HydrophobicContact CG2-CD1 4.27Å; I273-L402 HydrophobicContact CG2-CD2 4.31Å; I273-N410 HydrophobicContact CG2-CB 3.56Å
274R95.5Very high98Very high138 Ų13851.4 Ų51.452%0.52123%0.227SC..Hα-helixtrans-61.9-22179.4-71.4177.5-177.4150.62.1114.3A270 Q271 Q401 L402A270-R274 WeakPolarHBondContact O-CG 3.17Å; A270-R274 PolarHBondContact O-N 2.89Å; A270-R274 VanDerWaalsContact O-N 3.08Å; Q271-R274 PolarHBondContact O-N 3.24Å; R274-Q401 PolarHBondContact NH2-O 3.49Å; R274-L402 HydrophobicContact CG-CD2 4.25Å; R274-L402 PolarHBondContact NH2-O 2.85Å
275L96.6Very high97.9Very high131 Ų13142.3 Ų42.369%0.68620%0.197SC*.THydrogen-bonded Turntrans-96.6-3.9-179.6-69.4172.5000113.4Q271 L272 I273Q271-L275 VanDerWaalsContact O-CG 3.28Å; Q271-L275 WeakPolarHBondContact O-CG 3.36Å; Q271-L275 PolarHBondContact O-N 2.72Å; L272-L275 PolarHBondContact O-N 2.79Å; I273-L275 PolarHBondContact O-N 2.76Å; I273-L275 VanDerWaalsContact O-N 3.13Å
276S98.1Very high97.9Very high15 Ų1539.9 Ų39.911%0.10519%0.186CC..  trans-100.3136.6-174.3166.10000110.4L272 I273 P279 D338 L339L272-S276 WeakPolarHBondContact O-CB 3.28Å; L272-S276 PolarHBondContact O-N 3.3Å; I273-S276 PolarHBondContact O-N 2.78Å; I273-S276 VanDerWaalsContact O-N 3.11Å; S276-P279 WeakPolarHBondContact OG-CB 3.34Å; S276-P279 VanDerWaalsContact OG-CD 3.26Å; S276-P279 WeakPolarHBondContact OG-CD 3.32Å; S276-D338 WeakPolarHBondContact CA-OD2 3.34Å; S276-D338 PolarHBondContact OG-OD1 2.63Å; S276-D338 PolarHBondContact OG-OD2 2.94Å; S276-L339 VanDerWaalsContact OG-CB 3.28Å; S276-L339 WeakPolarHBondContact OG-CB 3.32Å
277E97.3Very high97.8Very high132 Ų13239.7 Ų39.762%0.61718%0.184SC*.SBendtrans-95.1-29.4176.2-67.7-178.8174.900112.1D338 S412E277-D338 PolarHBondContact N-OD2 3.38Å; E277-S412 PolarHBondContact O-N 3.33Å; E277-S412 VanDerWaalsContact O-N 3.12Å; E277-S412 PolarHBondContact O-OG 3.33Å
278K98.6Very high97.7Very high77 Ų7734.7 Ų34.734%0.33516%0.163SC..SBendtrans-126.955.2-174.6-57.4-176.6-175.1-178.90112.5A337 D338 W415K278-A337 VanDerWaalsContact O-CA 3.24Å; K278-A337 WeakPolarHBondContact O-CA 3.24Å; K278-A337 WeakPolarHBondContact O-CB 3.39Å; K278-D338 VanDerWaalsContact CA-OD1 3.3Å; K278-D338 WeakPolarHBondContact CA-OD1 3.38Å; K278-D338 PolarHBondContact N-OD1 3.11Å; K278-D338 PolarHBondContact N-OD2 3.03Å; K278-D338 PolarHBondContact O-N 2.9Å; K278-D338 VanDerWaalsContact O-OD1 3.07Å; K278-W415 HydrophobicContact CB-CD2 3.9Å; K278-W415 HydrophobicContact CB-CE3 4.38Å; K278-W415 HydrophobicContact CB-CG 4.07Å; K278-W415 HydrophobicContact CB-CZ2 4.39Å; K278-W415 HydrophobicContact CD-CD2 4.44Å; K278-W415 HydrophobicContact CD-CE3 4.13Å; K278-W415 HydrophobicContact CD-CZ3 4.48Å; K278-W415 HydrophobicContact CG-CB 4.24Å; K278-W415 HydrophobicContact CG-CD2 3.98Å; K278-W415 HydrophobicContact CG-CE3 4.17Å; K278-W415 HydrophobicContact CG-CG 4.04Å
279P98.6Very high97.6Very high0 Ų031.8 Ų31.80%015%0.152CC..EExtended strand (participates in β ladder)trans-73.7149-179.629.7-32.5000111.8S276 L306 L339 N410 C411 W415S276-P279 WeakPolarHBondContact OG-CB 3.34Å; S276-P279 VanDerWaalsContact OG-CD 3.26Å; S276-P279 WeakPolarHBondContact OG-CD 3.32Å; P279-L306 HydrophobicContact CB-CD2 3.95Å; P279-L306 HydrophobicContact CG-CD2 3.66Å; P279-L339 CarbonylContact C-O 3.54Å; P279-L339 WeakPolarHBondContact CA-O 3.49Å; P279-L339 HydrophobicContact CB-CB 4.22Å; P279-L339 HydrophobicContact CB-CD2 4.21Å; P279-L339 HydrophobicContact CB-CG 4.46Å; P279-N410 WeakPolarHBondContact CG-O 3.15Å; P279-C411 HydrophobicContact CG-CB 3.72Å; P279-W415 PolarHBondContact O-NE1 3.03Å; P279-W415 VanDerWaalsContact O-NE1 3.16Å
280I98.7Very high97.4Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-128.6129.5167.8-68.7-62.1000109.4P307 Y309 A333 L334 A337 L339 I341 W415 L419I280-P307 HydrophobicContact CD1-CB 3.96Å; I280-Y309 HydrophobicContact CD1-CD2 4.42Å; I280-Y309 HydrophobicContact CD1-CE2 4.03Å; I280-Y309 HydrophobicContact CG2-CD2 3.95Å; I280-Y309 HydrophobicContact CG2-CE2 4.47Å; I280-A333 HydrophobicContact CD1-CB 4.26Å; I280-L334 HydrophobicContact CG2-CD2 3.96Å; I280-A337 HydrophobicContact CB-CB 4.26Å; I280-A337 HydrophobicContact CG1-CB 3.76Å; I280-L339 PolarHBondContact N-O 2.87Å; I280-I341 PolarHBondContact O-N 3.08Å; I280-W415 HydrophobicContact CD1-CZ2 3.75Å; I280-W415 HydrophobicContact CG1-CZ2 3.97Å; I280-L419 HydrophobicContact CD1-CD1 3.83Å
281L98.8Very high97.3Very high1 Ų137.5 Ų37.51%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-97.7119.4165.5177.360.6000109.3V301 L304 L306 P307 T308 Y309 I341 A343 L395L281-V301 HydrophobicContact CD2-CG1 4.06Å; L281-L304 HydrophobicContact CD2-CD1 4.16Å; L281-L306 HydrophobicContact CB-CB 4.31Å; L281-L306 HydrophobicContact CB-CD1 4.37Å; L281-P307 PolarHBondContact N-O 2.88Å; L281-T308 HydrophobicContact CB-CG2 4.46Å; L281-T308 HydrophobicContact CD2-CG2 4.18Å; L281-T308 HydrophobicContact CG-CG2 4.22Å; L281-T308 CarbonylContact O-C 3.51Å; L281-T308 VanDerWaalsContact O-CA 3.25Å; L281-T308 WeakPolarHBondContact O-CA 3.35Å; L281-Y309 PolarHBondContact O-N 2.74Å; L281-I341 HydrophobicContact CD1-CB 3.84Å; L281-I341 HydrophobicContact CD1-CG2 3.69Å; L281-A343 HydrophobicContact CD1-CB 3.8Å; L281-L395 HydrophobicContact CD1-CD2 4.43Å
282L98.8Very high97.2Very high1 Ų133.3 Ų33.31%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-107.4109.7169.8177.164.3000108.9Y309 I341 L342 A343 A345 L351L282-Y309 WeakPolarHBondContact CA-O 3.42Å; L282-I341 PolarHBondContact N-O 2.96Å; L282-L342 HydrophobicContact CB-CD2 4.11Å; L282-L342 HydrophobicContact CD2-CD2 3.89Å; L282-L342 HydrophobicContact CG-CD2 4.49Å; L282-A343 PolarHBondContact O-N 3.37Å; L282-A345 HydrophobicContact CD2-CB 3.84Å; L282-A345 HydrophobicContact CG-CB 3.92Å; L282-L351 HydrophobicContact CD2-CD1 3.72Å; L282-L351 HydrophobicContact CD2-CD2 3.69Å; L282-L351 HydrophobicContact CD2-CG 4.33Å
283I98.5Very high97.1Very high0 Ų035.8 Ų35.80%019%0.187CC..EExtended strand (participates in β ladder)trans-104.5137.6-176.6-163.2157.2000111.3A287 V301 T308 Y309 M310 S311 A314 L317 A343 L395I283-A287 HydrophobicContact CD1-CB 3.51Å; I283-A287 HydrophobicContact CG1-CB 3.3Å; I283-V301 HydrophobicContact CD1-CG2 3.7Å; I283-T308 HydrophobicContact CG2-CG2 3.83Å; I283-Y309 WeakPolarHBondContact CG2-O 3.34Å; I283-Y309 PolarHBondContact N-O 3.38Å; I283-M310 HydrophobicContact CG2-CB 4.1Å; I283-M310 HydrophobicContact CG2-CG 3.48Å; I283-M310 VanDerWaalsContact CG2-CG 3.48Å; I283-S311 PolarHBondContact O-N 3.42Å; I283-S311 PolarHBondContact O-OG 3.5Å; I283-S311 VanDerWaalsContact O-OG 3.12Å; I283-A314 HydrophobicContact CG1-CB 4.31Å; I283-A314 HydrophobicContact CG2-CB 4.07Å; I283-L317 HydrophobicContact CD1-CD2 3.49Å; I283-L317 VanDerWaalsContact CD1-CD2 3.49Å; I283-L317 HydrophobicContact CG1-CD2 4.27Å; I283-L317 HydrophobicContact CG2-CD2 4.48Å; I283-A343 WeakPolarHBondContact CA-O 3.37Å; I283-A343 HydrophobicContact CB-CB 4.46Å; I283-A343 HydrophobicContact CG1-CB 4.26Å; I283-L395 HydrophobicContact CD1-CD1 3.52Å
284S97Very high97.1Very high6 Ų636 Ų364%0.04219%0.189CC..  trans-136.3-173.2-178.2-153.10000112.2Q286 A287 S311 A343S284-Q286 VanDerWaalsContact C-N 3.26Å; S284-Q286 PolarHBondContact O-N 2.82Å; S284-A287 VanDerWaalsContact O-CB 3.28Å; S284-A287 WeakPolarHBondContact O-CB 3.35Å; S284-A287 PolarHBondContact O-N 2.93Å; S284-S311 WeakPolarHBondContact CA-O 3.32Å; S284-S311 WeakPolarHBondContact CB-OG 3.19Å; S284-S311 PolarHBondContact OG-OG 3.05Å; S284-A343 PolarHBondContact N-O 3.32Å
285S96.2Very high97.1Very high26 Ų2636.4 Ų36.418%0.18220%0.195CC..G310 helixtrans-52.1-32.5-165-56.30000115.6A287 V288 M313S285-A287 PolarHBondContact O-N 3.24Å; S285-A287 VanDerWaalsContact O-N 3.11Å; S285-V288 WeakPolarHBondContact O-CG2 3.32Å; S285-V288 PolarHBondContact O-N 2.96Å; S285-M313 PolarHBondContact OG-N 3.35Å; S285-M313 VanDerWaalsContact OG-N 3.13Å
286Q96.7Very high97.2Very high1 Ų133.6 Ų33.61%0.00518%0.178CC..G310 helixtrans-64.8-16.4178.4-70.7-1701.800114.3E123 S284 V288 L289 N367 V391E123-Q286 PolarHBondContact OE1-NE2 3.47Å; E123-Q286 VanDerWaalsContact OE2-CG 3.25Å; E123-Q286 WeakPolarHBondContact OE2-CG 3.34Å; E123-Q286 PolarHBondContact OE2-NE2 2.52Å; S284-Q286 VanDerWaalsContact C-N 3.26Å; S284-Q286 PolarHBondContact O-N 2.82Å; Q286-V288 PolarHBondContact O-N 3.45Å; Q286-L289 HydrophobicContact CB-CD1 4.12Å; Q286-L289 HydrophobicContact CG-CD1 3.95Å; Q286-L289 PolarHBondContact O-N 3.14Å; Q286-N367 PolarHBondContact NE2-OD1 2.9Å; Q286-N367 PolarHBondContact OE1-OD1 3.35Å; Q286-V391 HydrophobicContact CB-CB 4.41Å; Q286-V391 HydrophobicContact CB-CG2 3.76Å
287A97.1Very high97.2Very high0 Ų032.9 Ų32.90%017%0.174CC..G310 helixtrans-69.5-17.6176.400000114.2I283 S284 S285 T297 V391I283-A287 HydrophobicContact CD1-CB 3.51Å; I283-A287 HydrophobicContact CG1-CB 3.3Å; S284-A287 VanDerWaalsContact O-CB 3.28Å; S284-A287 WeakPolarHBondContact O-CB 3.35Å; S284-A287 PolarHBondContact O-N 2.93Å; S285-A287 PolarHBondContact O-N 3.24Å; S285-A287 VanDerWaalsContact O-N 3.11Å; A287-T297 HydrophobicContact CB-CG2 4.41Å; A287-T297 WeakPolarHBondContact O-CG2 3.5Å; A287-T297 PolarHBondContact O-OG1 2.82Å; A287-V391 HydrophobicContact CB-CB 4.43Å; A287-V391 HydrophobicContact CB-CG1 3.72Å
288V96.1Very high97.2Very high11 Ų1126.9 Ų26.97%0.06715%0.146CC..G310 helixtrans-105.37.5-178.6-49.10000112.8S285 Q286 A294 M313 L317 L487S285-V288 WeakPolarHBondContact O-CG2 3.32Å; S285-V288 PolarHBondContact O-N 2.96Å; Q286-V288 PolarHBondContact O-N 3.45Å; V288-A294 HydrophobicContact CB-CB 3.86Å; V288-A294 HydrophobicContact CG1-CB 4.06Å; V288-M313 HydrophobicContact CG2-CB 3.93Å; V288-M313 HydrophobicContact CG2-CE 3.64Å; V288-L317 HydrophobicContact CG1-CD1 4.08Å; V288-L487 HydrophobicContact CB-CD2 3.79Å; V288-L487 HydrophobicContact CG1-CD2 4.35Å; V288-L487 HydrophobicContact CG2-CD2 3.66Å
289L96.1Very high97Very high21 Ų2126.9 Ų26.911%0.1115%0.153CC..  trans-81146.7176.8-67176.1000111.5P184 Q286P184-L289 HydrophobicContact CG-CD1 3.98Å; P184-L289 HydrophobicContact CG-CD2 4.26Å; Q286-L289 HydrophobicContact CB-CD1 4.12Å; Q286-L289 HydrophobicContact CG-CD1 3.95Å; Q286-L289 PolarHBondContact O-N 3.14Å
290P94.6Very high96.9Very high48 Ų4828.1 Ų28.131%0.31216%0.158SC..THydrogen-bonded Turntrans-62.8151173.728.2-36.3000111.3R368P290-R368 PolarHBondContact O-NH2 2.55Å
291P95.6Very high96.8Very high74 Ų7428.1 Ų28.148%0.48116%0.159SC..THydrogen-bonded Turncis-92.1-20.428.633.8-36.4000114.5
292I96.8Very high96.6Very high9 Ų931.3 Ų31.35%0.04617%0.173CC..SBendtrans-82.3127.7179-54-53.3000108.2E296 T297I292-E296 HydrophobicContact CG2-CB 3.81Å; I292-E296 HydrophobicContact CG2-CG 3.74Å; I292-T297 WeakPolarHBondContact CG2-OG1 3.42Å
293S96.6Very high96.4Very high59 Ų5932.2 Ų32.241%0.41318%0.179SC..  trans-64.2154.2179.1730000111.1K295 E296 T297S293-K295 PolarHBondContact O-N 3.37Å; S293-E296 PolarHBondContact O-N 2.62Å; S293-E296 VanDerWaalsContact OG-CB 3.3Å; S293-E296 WeakPolarHBondContact OG-CB 3.32Å; S293-E296 PolarHBondContact OG-N 3.36Å; S293-E296 VanDerWaalsContact OG-N 3.08Å; S293-T297 PolarHBondContact O-N 2.9Å; S293-T297 PolarHBondContact O-OG1 2.8Å; S293-T297 VanDerWaalsContact O-OG1 3.07Å
294A97Very high96.3Very high6 Ų632.2 Ų32.25%0.0518%0.179CC..Hα-helixtrans-59.6-33.6175.700000112.2V288 A298 L317 P486 L487V288-A294 HydrophobicContact CB-CB 3.86Å; V288-A294 HydrophobicContact CG1-CB 4.06Å; A294-A298 WeakPolarHBondContact O-CB 3.15Å; A294-A298 PolarHBondContact O-N 3.32Å; A294-L317 HydrophobicContact CB-CD1 4.44Å; A294-L317 VanDerWaalsContact O-CD1 3.22Å; A294-L317 WeakPolarHBondContact O-CD1 3.45Å; A294-P486 HydrophobicContact CB-CB 3.81Å; A294-L487 HydrophobicContact CB-CD1 3.88Å; A294-L487 HydrophobicContact CB-CD2 4.15Å; A294-L487 HydrophobicContact CB-CG 3.74Å
295K96.2Very high96.3Very high146 Ų14632 Ų3264%0.63518%0.178SC*.Hα-helixtrans-67.2-44.6175.9-68.1-177179.3-178.40112S293 A298 V299 P486S293-K295 PolarHBondContact O-N 3.37Å; K295-A298 WeakPolarHBondContact O-CB 3.47Å; K295-A298 PolarHBondContact O-N 3.48Å; K295-V299 PolarHBondContact O-N 3.48Å; K295-P486 HydrophobicContact CG-CG 4.49Å
296E97.4Very high96.3Very high73 Ų7330.8 Ų30.834%0.34117%0.169SC..Hα-helixtrans-65.9-43.8175.9-175.8-177.3163.500110.9I292 S293 A298 V299 H300I292-E296 HydrophobicContact CG2-CB 3.81Å; I292-E296 HydrophobicContact CG2-CG 3.74Å; S293-E296 PolarHBondContact O-N 2.62Å; S293-E296 VanDerWaalsContact OG-CB 3.3Å; S293-E296 WeakPolarHBondContact OG-CB 3.32Å; S293-E296 PolarHBondContact OG-N 3.36Å; S293-E296 VanDerWaalsContact OG-N 3.08Å; E296-A298 VanDerWaalsContact C-N 3.26Å; E296-A298 PolarHBondContact O-N 3.22Å; E296-V299 WeakPolarHBondContact O-CB 3.48Å; E296-V299 PolarHBondContact O-N 3.38Å; E296-V299 VanDerWaalsContact O-N 3.11Å; E296-H300 PolarHBondContact O-CD2 2.91Å; E296-H300 PolarHBondContact O-N 3.44Å; E296-H300 IonicContact OE1-NE2 2.71Å
297T98.1Very high96.4Very high0 Ų030.8 Ų30.80%017%0.169CC..Hα-helixtrans-58-41.1174.7-57.30000111.3A287 I292 S293 V299 H300 V301 L317 L395A287-T297 HydrophobicContact CB-CG2 4.41Å; A287-T297 WeakPolarHBondContact O-CG2 3.5Å; A287-T297 PolarHBondContact O-OG1 2.82Å; I292-T297 WeakPolarHBondContact CG2-OG1 3.42Å; S293-T297 PolarHBondContact O-N 2.9Å; S293-T297 PolarHBondContact O-OG1 2.8Å; S293-T297 VanDerWaalsContact O-OG1 3.07Å; T297-V299 PolarHBondContact O-N 3.11Å; T297-H300 PolarHBondContact O-N 3.12Å; T297-V301 HydrophobicContact CG2-CG2 4.25Å; T297-V301 VanDerWaalsContact O-CG2 3.27Å; T297-V301 WeakPolarHBondContact O-CG2 3.38Å; T297-V301 PolarHBondContact O-N 3.37Å; T297-L317 HydrophobicContact CG2-CD2 4.32Å; T297-L395 HydrophobicContact CG2-CD1 3.98Å
298A96.7Very high96.5Very high6 Ų630.8 Ų30.85%0.0517%0.169CC..Hα-helixtrans-58-45.7175.200000112.5A294 K295 E296 H300 V301 Q302 L317 P486A294-A298 WeakPolarHBondContact O-CB 3.15Å; A294-A298 PolarHBondContact O-N 3.32Å; K295-A298 WeakPolarHBondContact O-CB 3.47Å; K295-A298 PolarHBondContact O-N 3.48Å; E296-A298 VanDerWaalsContact C-N 3.26Å; E296-A298 PolarHBondContact O-N 3.22Å; A298-H300 PolarHBondContact O-N 2.9Å; A298-V301 PolarHBondContact O-N 3.18Å; A298-Q302 WeakPolarHBondContact O-CG 3.43Å; A298-Q302 PolarHBondContact O-N 3.36Å; A298-L317 HydrophobicContact CB-CD1 3.95Å; A298-L317 HydrophobicContact CB-CG 3.99Å; A298-L317 WeakPolarHBondContact CB-O 3.38Å; A298-P486 HydrophobicContact CB-CG 4Å
299V95.6Very high96.6Very high77 Ų7730.5 Ų30.547%0.46717%0.167SC..Hα-helixtrans-57.9-48.6176.1173.30000110.5K295 E296 T297 V301 Q302 T303K295-V299 PolarHBondContact O-N 3.48Å; E296-V299 WeakPolarHBondContact O-CB 3.48Å; E296-V299 PolarHBondContact O-N 3.38Å; E296-V299 VanDerWaalsContact O-N 3.11Å; T297-V299 PolarHBondContact O-N 3.11Å; V299-V301 VanDerWaalsContact C-N 3.35Å; V299-V301 PolarHBondContact O-N 2.85Å; V299-Q302 WeakPolarHBondContact O-CB 3.38Å; V299-Q302 PolarHBondContact O-N 2.89Å; V299-T303 PolarHBondContact O-N 3.45Å; V299-T303 PolarHBondContact O-OG1 2.79Å; V299-T303 VanDerWaalsContact O-OG1 3.09Å
300H96.6Very high96.7Very high25 Ų2531.3 Ų31.312%0.11617%0.17CC..Hα-helixtrans-63.4-39.3179.3-68.1-61.4000112.8E296 T297 A298 Q302 T303 L304 R396 S399E296-H300 PolarHBondContact O-CD2 2.91Å; E296-H300 PolarHBondContact O-N 3.44Å; E296-H300 IonicContact OE1-NE2 2.71Å; T297-H300 PolarHBondContact O-N 3.12Å; A298-H300 PolarHBondContact O-N 2.9Å; H300-Q302 VanDerWaalsContact C-N 3.31Å; H300-Q302 PolarHBondContact O-N 2.88Å; H300-T303 PolarHBondContact O-N 2.99Å; H300-L304 WeakPolarHBondContact O-CG 3.39Å; H300-L304 PolarHBondContact O-N 2.94Å; H300-R396 WeakPolarHBondContact NE2-CG 3.46Å; H300-S399 PolarHBondContact ND1-OG 3.4Å
301V96.6Very high96.7Very high1 Ų130 Ų301%0.00616%0.163CC..Hα-helixtrans-62.3-38.6175.6175.80000111.4L281 I283 T297 A298 V299 L304 T308 L317 L318 L395L281-V301 HydrophobicContact CD2-CG1 4.06Å; I283-V301 HydrophobicContact CD1-CG2 3.7Å; T297-V301 HydrophobicContact CG2-CG2 4.25Å; T297-V301 VanDerWaalsContact O-CG2 3.27Å; T297-V301 WeakPolarHBondContact O-CG2 3.38Å; T297-V301 PolarHBondContact O-N 3.37Å; A298-V301 PolarHBondContact O-N 3.18Å; V299-V301 VanDerWaalsContact C-N 3.35Å; V299-V301 PolarHBondContact O-N 2.85Å; V301-L304 PolarHBondContact O-N 2.73Å; V301-T308 HydrophobicContact CG1-CG2 4.15Å; V301-L317 HydrophobicContact CG2-CD2 4.11Å; V301-L318 HydrophobicContact CB-CD2 4.13Å; V301-L318 HydrophobicContact CG1-CD1 4.11Å; V301-L318 HydrophobicContact CG1-CD2 3.8Å; V301-L318 HydrophobicContact CG1-CG 4.22Å; V301-L395 HydrophobicContact CG2-CD1 3.86Å
302Q94.9Very high96.6Very high68 Ų6827 Ų2732%0.31815%0.145SC..Hα-helixtrans-62.5-47.7173.9-65.6173.820.600111A298 V299 H300 L304 G305 L318A298-Q302 WeakPolarHBondContact O-CG 3.43Å; A298-Q302 PolarHBondContact O-N 3.36Å; V299-Q302 WeakPolarHBondContact O-CB 3.38Å; V299-Q302 PolarHBondContact O-N 2.89Å; H300-Q302 VanDerWaalsContact C-N 3.31Å; H300-Q302 PolarHBondContact O-N 2.88Å; Q302-L304 PolarHBondContact O-N 2.8Å; Q302-G305 PolarHBondContact O-N 2.74Å; Q302-G305 VanDerWaalsContact O-N 3.11Å; Q302-L318 HydrophobicContact CG-CD2 3.53Å
303T94.5Very high96.5Very high20 Ų2027 Ų2712%0.12315%0.145CC..Hα-helixtrans-61.8-24.6178.1-52.80000113.5V299 H300 G305 N404V299-T303 PolarHBondContact O-N 3.45Å; V299-T303 PolarHBondContact O-OG1 2.79Å; V299-T303 VanDerWaalsContact O-OG1 3.09Å; H300-T303 PolarHBondContact O-N 2.99Å; T303-G305 PolarHBondContact O-N 3.33Å; T303-N404 VanDerWaalsContact CG2-O 3.24Å; T303-N404 WeakPolarHBondContact CG2-O 3.37Å; T303-N404 WeakPolarHBondContact O-CB 3.46Å
304L96.7Very high96.5Very high0 Ų024.3 Ų24.30%013%0.126CC..THydrogen-bonded Turntrans-65.7-22.8176.1-70.5176.8000113.1L281 H300 V301 Q302 L306 L395 L398 L402 N410L281-L304 HydrophobicContact CD2-CD1 4.16Å; H300-L304 WeakPolarHBondContact O-CG 3.39Å; H300-L304 PolarHBondContact O-N 2.94Å; V301-L304 PolarHBondContact O-N 2.73Å; Q302-L304 PolarHBondContact O-N 2.8Å; L304-L306 VanDerWaalsContact C-N 3.27Å; L304-L306 HydrophobicContact CB-CD1 4.27Å; L304-L306 HydrophobicContact CB-CG 4.19Å; L304-L306 PolarHBondContact O-N 2.94Å; L304-L395 HydrophobicContact CD1-CD2 3.75Å; L304-L398 HydrophobicContact CD1-CD2 4.22Å; L304-L398 HydrophobicContact CD2-CB 4.18Å; L304-L398 HydrophobicContact CD2-CD2 3.75Å; L304-L398 HydrophobicContact CD2-CG 3.66Å; L304-L402 HydrophobicContact CD2-CD1 3.7Å; L304-N410 PolarHBondContact O-ND2 3.44Å
305G95.3Very high96.5Very high1 Ų126.1 Ų26.11%0.0113%0.131CC..THydrogen-bonded Turntrans63.928.9177.500000114.4Q302 T303 E408 N410Q302-G305 PolarHBondContact O-N 2.74Å; Q302-G305 VanDerWaalsContact O-N 3.11Å; T303-G305 PolarHBondContact O-N 3.33Å; G305-E408 WeakPolarHBondContact CA-O 3.3Å; G305-N410 PolarHBondContact O-N 2.81Å
306L97.6Very high96.4Very high1 Ų119.3 Ų19.31%0.00510%0.103CC..  trans-109.1140.7-176.3-64.4177.4000112.8I273 P279 L281 L304 T308 I341 N410I273-L306 HydrophobicContact CD1-CD1 4.03Å; I273-L306 HydrophobicContact CG1-CD1 4.43Å; I273-L306 HydrophobicContact CG2-CD2 4.08Å; P279-L306 HydrophobicContact CB-CD2 3.95Å; P279-L306 HydrophobicContact CG-CD2 3.66Å; L281-L306 HydrophobicContact CB-CB 4.31Å; L281-L306 HydrophobicContact CB-CD1 4.37Å; L304-L306 VanDerWaalsContact C-N 3.27Å; L304-L306 HydrophobicContact CB-CD1 4.27Å; L304-L306 HydrophobicContact CB-CG 4.19Å; L304-L306 PolarHBondContact O-N 2.94Å; L306-T308 PolarHBondContact O-N 2.9Å; L306-T308 PolarHBondContact O-OG1 3.23Å; L306-I341 HydrophobicContact CD1-CD1 3.97Å; L306-N410 HydrophobicContact CD2-CB 3.65Å; L306-N410 WeakPolarHBondContact CD2-O 3.27Å; L306-N410 HydrophobicContact CG-CB 4.45Å
307P98.3Very high96.4Very high0 Ų016 Ų160%09%0.087CC..  trans-58.4123167.1-22.433.6000111.2I280 L281 F326 C411 L416 L419I280-P307 HydrophobicContact CD1-CB 3.96Å; L281-P307 PolarHBondContact N-O 2.88Å; P307-F326 HydrophobicContact CB-CD2 4.09Å; P307-F326 HydrophobicContact CB-CE2 3.68Å; P307-C411 HydrophobicContact CG-CB 4.24Å; P307-L416 HydrophobicContact CG-CD1 4.46Å; P307-L419 HydrophobicContact CB-CD1 3.47Å; P307-L419 VanDerWaalsContact CB-CD1 3.47Å; P307-L419 HydrophobicContact CG-CD1 3.9Å
308T98.7Very high96.3Very high1 Ų116.6 Ų16.61%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-126.2124.9-165.6-60.80000112.1L281 I283 V301 L306 M310 L318 L324 G325 F326L281-T308 HydrophobicContact CB-CG2 4.46Å; L281-T308 HydrophobicContact CD2-CG2 4.18Å; L281-T308 HydrophobicContact CG-CG2 4.22Å; L281-T308 CarbonylContact O-C 3.51Å; L281-T308 VanDerWaalsContact O-CA 3.25Å; L281-T308 WeakPolarHBondContact O-CA 3.35Å; I283-T308 HydrophobicContact CG2-CG2 3.83Å; V301-T308 HydrophobicContact CG1-CG2 4.15Å; L306-T308 PolarHBondContact O-N 2.9Å; L306-T308 PolarHBondContact O-OG1 3.23Å; T308-M310 HydrophobicContact CG2-CG 4.29Å; T308-L318 HydrophobicContact CG2-CD1 4.06Å; T308-L324 PolarHBondContact N-O 3.45Å; T308-G325 WeakPolarHBondContact O-CA 3.26Å; T308-F326 PolarHBondContact O-N 2.81Å
309Y98.4Very high96.2Very high5 Ų517.1 Ų17.12%0.0210%0.096CC..EExtended strand (participates in β ladder)trans-101.2134.2167.7-75.2-86.2000110I280 L281 L282 I283 F326 H328 R330 A333I280-Y309 HydrophobicContact CD1-CD2 4.42Å; I280-Y309 HydrophobicContact CD1-CE2 4.03Å; I280-Y309 HydrophobicContact CG2-CD2 3.95Å; I280-Y309 HydrophobicContact CG2-CE2 4.47Å; L281-Y309 PolarHBondContact O-N 2.74Å; L282-Y309 WeakPolarHBondContact CA-O 3.42Å; I283-Y309 WeakPolarHBondContact CG2-O 3.34Å; I283-Y309 PolarHBondContact N-O 3.38Å; Y309-F326 HydrophobicContact CD1-CB 3.88Å; Y309-F326 VanDerWaalsContact CD1-O 3.23Å; Y309-F326 WeakPolarHBondContact CD1-O 3.34Å; Y309-F326 HydrophobicContact CD2-CB 4.38Å; Y309-F326 HydrophobicContact CE1-CB 3.44Å; Y309-F326 VanDerWaalsContact CE1-CB 3.44Å; Y309-F326 HydrophobicContact CE2-CB 4Å; Y309-F326 HydrophobicContact CG-CB 4.33Å; Y309-H328 VanDerWaalsContact CE1-O 3.26Å; Y309-H328 WeakPolarHBondContact CE1-O 2.94Å; Y309-H328 PolarHBondContact OH-O 2.64Å; Y309-R330 HydrophobicContact CD1-CB 3.75Å; Y309-R330 HydrophobicContact CD1-CG 3.76Å; Y309-R330 HydrophobicContact CD2-CG 4.33Å; Y309-R330 HydrophobicContact CE1-CB 3.57Å; Y309-R330 HydrophobicContact CE1-CG 4.03Å; Y309-R330 HydrophobicContact CG-CB 4.38Å; Y309-R330 HydrophobicContact CG-CG 3.92Å; Y309-A333 HydrophobicContact CE2-CB 3.78Å; Y309-A333 WeakPolarHBondContact OH-CB 3.26Å
310M97.6Very high96.2Very high37 Ų3716 Ų1618%0.1828%0.083CC..EExtended strand (participates in β ladder)trans-111.8138.9-178.7-66.2172.2-74.800111.4I283 T308 A314 L317 L318I283-M310 HydrophobicContact CG2-CB 4.1Å; I283-M310 HydrophobicContact CG2-CG 3.48Å; I283-M310 VanDerWaalsContact CG2-CG 3.48Å; T308-M310 HydrophobicContact CG2-CG 4.29Å; M310-A314 WeakPolarHBondContact CB-O 3.23Å; M310-A314 VanDerWaalsContact SD-O 3.37Å; M310-L317 HydrophobicContact SD-CB 3.78Å; M310-L318 HydrophobicContact CE-CB 4.02Å; M310-L318 HydrophobicContact CE-CG 4.46Å; M310-L318 HydrophobicContact SD-CB 4.01Å; M310-L318 HydrophobicContact SD-CD1 4.47Å; M310-L318 HydrophobicContact SD-CG 4.06Å; M310-L318 PolarHBondContact SD-N 2.68Å; M310-L318 VanDerWaalsContact SD-N 3.43Å
311S95Very high95.9Very high21 Ų2119.5 Ų19.515%0.14710%0.103CC..  trans-140.6159.3-179.962.30000112.2I283 S284 M313 A314I283-S311 PolarHBondContact O-N 3.42Å; I283-S311 PolarHBondContact O-OG 3.5Å; I283-S311 VanDerWaalsContact O-OG 3.12Å; S284-S311 WeakPolarHBondContact CA-O 3.32Å; S284-S311 WeakPolarHBondContact CB-OG 3.19Å; S284-S311 PolarHBondContact OG-OG 3.05Å; S311-M313 PolarHBondContact O-N 2.88Å; S311-A314 WeakPolarHBondContact O-CB 3.39Å; S311-A314 PolarHBondContact O-N 3.32Å; S311-A314 VanDerWaalsContact O-N 3.14Å
312G93.7Very high95.8Very high10 Ų1021.5 Ų21.510%0.10311%0.112CC..G310 helixtrans53.6-134.5-177.200000111.5A314 R315G312-A314 PolarHBondContact O-N 3.05Å; G312-R315 WeakPolarHBondContact O-CB 3.38Å; G312-R315 WeakPolarHBondContact O-CG 3.42Å; G312-R315 PolarHBondContact O-N 3.34Å; G312-R315 VanDerWaalsContact O-N 3.08Å
313M94.8Very high95.8Very high11 Ų1123 Ų235%0.05412%0.119CC..G310 helixtrans-70.4-12.5-177.9-63168.952.500114.3R93 S285 V288 S311 R315R93-M313 HydrophobicContact CB-CE 3.36Å; R93-M313 HydrophobicContact CB-SD 3.95Å; R93-M313 HydrophobicContact CG-CE 3.6Å; R93-M313 HydrophobicContact CG-SD 3.51Å; R93-M313 VanDerWaalsContact CG-SD 3.51Å; R93-M313 VanDerWaalsContact O-CE 3.3Å; R93-M313 WeakPolarHBondContact O-CE 3.16Å; S285-M313 PolarHBondContact OG-N 3.35Å; S285-M313 VanDerWaalsContact OG-N 3.13Å; V288-M313 HydrophobicContact CG2-CB 3.93Å; V288-M313 HydrophobicContact CG2-CE 3.64Å; S311-M313 PolarHBondContact O-N 2.88Å; M313-R315 PolarHBondContact O-N 3.45Å
314A97.1Very high95.8Very high1 Ų122.4 Ų22.41%0.00812%0.115CC..G310 helixtrans-78.1-7.5173.100000112.3I283 M310 S311 G312 G316 L317I283-A314 HydrophobicContact CG1-CB 4.31Å; I283-A314 HydrophobicContact CG2-CB 4.07Å; M310-A314 WeakPolarHBondContact CB-O 3.23Å; M310-A314 VanDerWaalsContact SD-O 3.37Å; S311-A314 WeakPolarHBondContact O-CB 3.39Å; S311-A314 PolarHBondContact O-N 3.32Å; S311-A314 VanDerWaalsContact O-N 3.14Å; G312-A314 PolarHBondContact O-N 3.05Å; A314-G316 PolarHBondContact O-N 3.25Å; A314-G316 VanDerWaalsContact O-N 3.17Å; A314-L317 WeakPolarHBondContact O-CB 3.29Å; A314-L317 PolarHBondContact O-N 3.33Å
315R96.5Very high95.8Very high45 Ų4523.3 Ų23.317%0.1713%0.125CC..THydrogen-bonded Turntrans-58.4122.3172.2-72.4179.565.9120.94.8109.1G312 M313 A478 P483 W489G312-R315 WeakPolarHBondContact O-CB 3.38Å; G312-R315 WeakPolarHBondContact O-CG 3.42Å; G312-R315 PolarHBondContact O-N 3.34Å; G312-R315 VanDerWaalsContact O-N 3.08Å; M313-R315 PolarHBondContact O-N 3.45Å; R315-A478 PolarHBondContact NH1-O 2.89Å; R315-A478 PolarHBondContact NH2-O 3.08Å; R315-P483 HydrophobicContact CB-CG 3.87Å; R315-P483 WeakPolarHBondContact O-CG 3.31Å; R315-W489 HydrophobicContact CB-CB 3.97Å; R315-W489 HydrophobicContact CB-CD2 4.49Å; R315-W489 HydrophobicContact CB-CG 3.87Å
316G95.3Very high95.9Very high3 Ų323.5 Ų23.53%0.03113%0.125CC..THydrogen-bonded Turntrans93.8-0.8-177.700000114.3A314 L318 G319 Q485 P486A314-G316 PolarHBondContact O-N 3.25Å; A314-G316 VanDerWaalsContact O-N 3.17Å; G316-L318 PolarHBondContact O-N 3.36Å; G316-G319 WeakPolarHBondContact O-CA 3.25Å; G316-G319 PolarHBondContact O-N 3.25Å; G316-Q485 CarbonylContact O-C 3.56Å; G316-Q485 WeakPolarHBondContact O-CA 3.36Å; G316-P486 VanDerWaalsContact O-N 3.13Å
317L96.7Very high95.8Very high3 Ų326.6 Ų26.62%0.01614%0.137CC..THydrogen-bonded Turntrans-54.4-40.2177.6-171.270.8000112I283 V288 A294 T297 A298 V301 M310 A314 P486I283-L317 HydrophobicContact CD1-CD2 3.49Å; I283-L317 VanDerWaalsContact CD1-CD2 3.49Å; I283-L317 HydrophobicContact CG1-CD2 4.27Å; I283-L317 HydrophobicContact CG2-CD2 4.48Å; V288-L317 HydrophobicContact CG1-CD1 4.08Å; A294-L317 HydrophobicContact CB-CD1 4.44Å; A294-L317 VanDerWaalsContact O-CD1 3.22Å; A294-L317 WeakPolarHBondContact O-CD1 3.45Å; T297-L317 HydrophobicContact CG2-CD2 4.32Å; A298-L317 HydrophobicContact CB-CD1 3.95Å; A298-L317 HydrophobicContact CB-CG 3.99Å; A298-L317 WeakPolarHBondContact CB-O 3.38Å; V301-L317 HydrophobicContact CG2-CD2 4.11Å; M310-L317 HydrophobicContact SD-CB 3.78Å; A314-L317 WeakPolarHBondContact O-CB 3.29Å; A314-L317 PolarHBondContact O-N 3.33Å; L317-P486 HydrophobicContact CD1-CB 4.24Å; L317-P486 HydrophobicContact CD1-CG 4.29Å
318L96.3Very high95.7Very high13 Ų1326.9 Ų26.97%0.06814%0.138CC..THydrogen-bonded Turntrans-92.55.1175.1-63.9178.1000113.8V301 Q302 T308 M310 G316 H322V301-L318 HydrophobicContact CB-CD2 4.13Å; V301-L318 HydrophobicContact CG1-CD1 4.11Å; V301-L318 HydrophobicContact CG1-CD2 3.8Å; V301-L318 HydrophobicContact CG1-CG 4.22Å; Q302-L318 HydrophobicContact CG-CD2 3.53Å; T308-L318 HydrophobicContact CG2-CD1 4.06Å; M310-L318 HydrophobicContact CE-CB 4.02Å; M310-L318 HydrophobicContact CE-CG 4.46Å; M310-L318 HydrophobicContact SD-CB 4.01Å; M310-L318 HydrophobicContact SD-CD1 4.47Å; M310-L318 HydrophobicContact SD-CG 4.06Å; M310-L318 PolarHBondContact SD-N 2.68Å; M310-L318 VanDerWaalsContact SD-N 3.43Å; G316-L318 PolarHBondContact O-N 3.36Å; L318-H322 HydrophobicContact CB-CB 3.73Å; L318-H322 VanDerWaalsContact O-CB 3.3Å; L318-H322 WeakPolarHBondContact O-CB 3.5Å
319G94.9Very high95.5Very high16 Ų1628.7 Ų28.717%0.16515%0.154CC..  trans73.6-165.5-172.700000113.8G316 R484G316-G319 WeakPolarHBondContact O-CA 3.25Å; G316-G319 PolarHBondContact O-N 3.25Å; G319-R484 VanDerWaalsContact CA-O 3.31Å; G319-R484 WeakPolarHBondContact CA-O 3.35Å
320R94Very high95.4Very high53 Ų5332.2 Ų32.220%0.217%0.167CC..SBendtrans-72.5-44.4-165.4-171.2-178.6177.5-104.7-9.4114.8E452 T458 R482R320-E452 IonicContact CZ-OE1 2.64Å; R320-E452 IonicContact NE-OE1 3.44Å; R320-E452 PolarHBondContact NE-OE1 3.12Å; R320-E452 IonicContact NH2-OE1 2.62Å; R320-E452 PolarHBondContact NH2-OE1 3.45Å; R320-T458 WeakPolarHBondContact CD-O 3.24Å; R320-R482 HydrophobicContact CG-CB 3.87Å
321N91.4Very high95.4Very high99 Ų9937.6 Ų37.653%0.52919%0.185SC..SBendtrans-13327.9-165.1-66.9-31.7000113.4Q323 R482N321-Q323 PolarHBondContact O-N 3.03Å; N321-R482 PolarHBondContact OD1-NH1 3.16Å
322H94.4Very high95.5Very high44 Ų4439.4 Ų39.420%0.20420%0.195CC..  trans-63.1133.2-178.2-169.8-89.8000111.7L318 L324 G325L318-H322 HydrophobicContact CB-CB 3.73Å; L318-H322 VanDerWaalsContact O-CB 3.3Å; L318-H322 WeakPolarHBondContact O-CB 3.5Å; H322-L324 PolarHBondContact ND1-N 2.99Å; H322-L324 PolarHBondContact O-N 3.23Å; H322-G325 PolarHBondContact O-N 2.84Å
323Q94Very high95.7Very high100 Ų10038.9 Ų38.947%0.46719%0.19SC..THydrogen-bonded Turntrans-62.1-17.7-172.959.5167.2-1.700115.7N321 K420N321-Q323 PolarHBondContact O-N 3.03Å; Q323-K420 VanDerWaalsContact O-CE 3.3Å; Q323-K420 WeakPolarHBondContact O-CE 3.36Å
324L96Very high95.9Very high6 Ų638.4 Ų38.43%0.03119%0.188CC..THydrogen-bonded Turntrans-106.10.5174.9-60.2178000113.1T308 H322 F326 L409 L416T308-L324 PolarHBondContact N-O 3.45Å; H322-L324 PolarHBondContact ND1-N 2.99Å; H322-L324 PolarHBondContact O-N 3.23Å; L324-F326 VanDerWaalsContact O-CD2 3.31Å; L324-F326 WeakPolarHBondContact O-CD2 3.19Å; L324-F326 WeakPolarHBondContact O-CE2 3.39Å; L324-L409 HydrophobicContact CD1-CD2 4.4Å; L324-L409 HydrophobicContact CD2-CD2 3.85Å; L324-L416 HydrophobicContact CD2-CD1 3.64Å; L324-L416 HydrophobicContact CD2-CD2 4.08Å
325G96.6Very high96Very high20 Ų2044.7 Ų44.721%0.20621%0.211CC..EExtended strand (participates in β ladder)trans-92.9124.117800000111.1T308 H322T308-G325 WeakPolarHBondContact O-CA 3.26Å; H322-G325 PolarHBondContact O-N 2.84Å
326F97.5Very high96Very high5 Ų546.1 Ų46.12%0.02222%0.22CC..EExtended strand (participates in β ladder)trans-122.7150.2-178.3-60.2-82.8000111.4P307 T308 Y309 L324 L416 L419 K420 E423P307-F326 HydrophobicContact CB-CD2 4.09Å; P307-F326 HydrophobicContact CB-CE2 3.68Å; T308-F326 PolarHBondContact O-N 2.81Å; Y309-F326 HydrophobicContact CD1-CB 3.88Å; Y309-F326 VanDerWaalsContact CD1-O 3.23Å; Y309-F326 WeakPolarHBondContact CD1-O 3.34Å; Y309-F326 HydrophobicContact CD2-CB 4.38Å; Y309-F326 HydrophobicContact CE1-CB 3.44Å; Y309-F326 VanDerWaalsContact CE1-CB 3.44Å; Y309-F326 HydrophobicContact CE2-CB 4Å; Y309-F326 HydrophobicContact CG-CB 4.33Å; L324-F326 VanDerWaalsContact O-CD2 3.31Å; L324-F326 WeakPolarHBondContact O-CD2 3.19Å; L324-F326 WeakPolarHBondContact O-CE2 3.39Å; F326-L416 HydrophobicContact CE2-CD1 4.17Å; F326-L416 HydrophobicContact CZ-CD1 3.72Å; F326-L419 HydrophobicContact CD1-CB 4.04Å; F326-L419 HydrophobicContact CD2-CD1 4.48Å; F326-L419 HydrophobicContact CE1-CB 3.55Å; F326-L419 HydrophobicContact CE2-CB 4.34Å; F326-L419 HydrophobicContact CE2-CD1 4.17Å; F326-L419 HydrophobicContact CZ-CB 3.73Å; F326-L419 HydrophobicContact CZ-CD1 4.32Å; F326-K420 HydrophobicContact CE1-CG 4.03Å; F326-K420 HydrophobicContact CZ-CG 4.19Å; F326-E423 HydrophobicContact CD1-CB 4.25Å
327R94.8Very high96.2Very high65 Ų6546 Ų4625%0.24522%0.218CC..  trans-125.3-38.6177.7-62.7172.2-62.1131.417.3111.3E423 D427 Y479 R482R327-E423 IonicContact CZ-OE1 2.96Å; R327-E423 PolarHBondContact N-OE2 2.52Å; R327-E423 IonicContact NE-OE1 2.82Å; R327-E423 PolarHBondContact NE-OE1 3.28Å; R327-E423 VanDerWaalsContact NE-OE1 3.08Å; R327-E423 IonicContact NH2-OE1 2.76Å; R327-E423 PolarHBondContact NH2-OE1 3.37Å; R327-D427 IonicContact CZ-OD1 3.08Å; R327-D427 IonicContact NH2-OD1 3.79Å; R327-D427 PolarHBondContact NH2-OD1 3.44Å; R327-D427 IonicContact NH2-OD2 2.65Å; R327-D427 PolarHBondContact NH2-OD2 2.87Å; R327-Y479 PolarHBondContact NH1-O 3.17Å; R327-R482 VanDerWaalsContact CZ-CZ 3.41Å; R327-R482 VanDerWaalsContact CZ-NE 3.25Å
328H95.2Very high96.3Very high7 Ų748.4 Ų48.43%0.03223%0.231CC..SBendtrans-94163.5-170.9-55.3-39.8000112Y309 R330 E423 H426 D427 Y479Y309-H328 VanDerWaalsContact CE1-O 3.26Å; Y309-H328 WeakPolarHBondContact CE1-O 2.94Å; Y309-H328 PolarHBondContact OH-O 2.64Å; H328-R330 PolarHBondContact O-N 3.24Å; H328-E423 WeakPolarHBondContact CB-OE2 3.06Å; H328-E423 VanDerWaalsContact CD2-CD 3.49Å; H328-E423 IonicContact CD2-OE1 3.03Å; H328-E423 PolarHBondContact CD2-OE1 3.36Å; H328-E423 IonicContact CD2-OE2 3.32Å; H328-E423 IonicContact CG-OE1 3.89Å; H328-E423 IonicContact CG-OE2 3.24Å; H328-E423 PolarHBondContact N-OE2 3.02Å; H328-E423 IonicContact NE2-OE1 3.12Å; H328-H426 HydrophobicContact CB-CB 3.94Å; H328-H426 AromaticContact CD2-CD2 3.62Å; H328-H426 AromaticContact CE1-CD2 3.52Å; H328-H426 AromaticContact CG-CD2 3.38Å; H328-H426 AromaticContact CG-CG 3.97Å; H328-H426 AromaticContact ND1-CD2 3.35Å; H328-H426 PolarHBondContact ND1-CD2 2.96Å; H328-H426 AromaticContact NE2-CD2 3.67Å; H328-D427 IonicContact CD2-OD1 3.56Å; H328-D427 IonicContact CE1-OD1 3.86Å; H328-D427 IonicContact NE2-OD1 3.37Å; H328-D427 PolarHBondContact NE2-OD1 3.27Å; H328-Y479 PolarHBondContact CE1-O 2.97Å
329A95.4Very high96.4Very high39 Ų3947.9 Ų47.932%0.32223%0.229SC..SBendtrans52.720.7177.900000115.7R331 T332 A333 R422A329-R331 VanDerWaalsContact C-N 3.26Å; A329-R331 PolarHBondContact O-N 3.36Å; A329-T332 PolarHBondContact O-N 2.96Å; A329-A333 PolarHBondContact O-N 3.34Å; A329-R422 HydrophobicContact CB-CB 3.97Å; A329-R422 HydrophobicContact CB-CG 4.46Å
330R96.6Very high96.6Very high79 Ų7947.1 Ų47.130%0.29822%0.221SC..Hα-helixtrans-51.5-43.5-178.1-176-178.366.8157.84.9112.9Y309 H328 T332 A333 L334 R350Y309-R330 HydrophobicContact CD1-CB 3.75Å; Y309-R330 HydrophobicContact CD1-CG 3.76Å; Y309-R330 HydrophobicContact CD2-CG 4.33Å; Y309-R330 HydrophobicContact CE1-CB 3.57Å; Y309-R330 HydrophobicContact CE1-CG 4.03Å; Y309-R330 HydrophobicContact CG-CB 4.38Å; Y309-R330 HydrophobicContact CG-CG 3.92Å; H328-R330 PolarHBondContact O-N 3.24Å; R330-T332 VanDerWaalsContact C-N 3.34Å; R330-T332 PolarHBondContact O-N 2.83Å; R330-A333 PolarHBondContact O-N 2.93Å; R330-L334 HydrophobicContact CG-CD1 3.93Å; R330-L334 HydrophobicContact CG-CG 4.33Å; R330-L334 WeakPolarHBondContact O-CB 3.37Å; R330-L334 VanDerWaalsContact O-CG 3.28Å; R330-L334 WeakPolarHBondContact O-CG 3.32Å; R330-L334 PolarHBondContact O-N 2.88Å; R330-R350 PolarHBondContact NH2-O 3.16Å
331R96.5Very high96.8Very high150 Ų15044.7 Ų44.757%0.56621%0.212SC*.Hα-helixtrans-58.4-45.2179.4175.8178.5-75.9177.9-1.5111.5A329 R335 V356A329-R331 VanDerWaalsContact C-N 3.26Å; A329-R331 PolarHBondContact O-N 3.36Å; R331-R335 WeakPolarHBondContact O-CG 3.42Å; R331-R335 PolarHBondContact O-N 2.87Å; R331-V356 HydrophobicContact CB-CG2 4.06Å; R331-V356 HydrophobicContact CG-CG2 3.61Å
332T97.8Very high97.2Very high58 Ų5840 Ų4036%0.35619%0.186SC..Hα-helixtrans-69.3-44.6178.9-53.20000110.8A329 R330 L334 R335 E336A329-T332 PolarHBondContact O-N 2.96Å; R330-T332 VanDerWaalsContact C-N 3.34Å; R330-T332 PolarHBondContact O-N 2.83Å; T332-L334 VanDerWaalsContact C-N 3.33Å; T332-L334 PolarHBondContact O-N 2.8Å; T332-R335 PolarHBondContact O-N 2.64Å; T332-R335 VanDerWaalsContact O-N 3.09Å; T332-E336 WeakPolarHBondContact CG2-OE1 3.44Å; T332-E336 PolarHBondContact O-N 2.9Å; T332-E336 VanDerWaalsContact O-N 3.17Å
333A98.4Very high97.4Very high0 Ų037.9 Ų37.90%018%0.177CC..Hα-helixtrans-57.3-44.217700000112.4I280 Y309 A329 R330 R335 E336 A337 W415 L419I280-A333 HydrophobicContact CD1-CB 4.26Å; Y309-A333 HydrophobicContact CE2-CB 3.78Å; Y309-A333 WeakPolarHBondContact OH-CB 3.26Å; A329-A333 PolarHBondContact O-N 3.34Å; R330-A333 PolarHBondContact O-N 2.93Å; A333-R335 VanDerWaalsContact C-N 3.3Å; A333-R335 PolarHBondContact O-N 2.89Å; A333-E336 PolarHBondContact O-N 3.26Å; A333-A337 WeakPolarHBondContact O-CB 3.19Å; A333-A337 PolarHBondContact O-N 3.01Å; A333-W415 HydrophobicContact CB-CH2 4.45Å; A333-L419 HydrophobicContact CB-CD2 3.71Å
334L98.5Very high97.6Very high1 Ų133.3 Ų33.31%0.00516%0.157CC..Hα-helixtrans-66.1-27.8177.4-71.1172.3000113.8I280 R330 T332 I340 L351 V356 L357 N358I280-L334 HydrophobicContact CG2-CD2 3.96Å; R330-L334 HydrophobicContact CG-CD1 3.93Å; R330-L334 HydrophobicContact CG-CG 4.33Å; R330-L334 WeakPolarHBondContact O-CB 3.37Å; R330-L334 VanDerWaalsContact O-CG 3.28Å; R330-L334 WeakPolarHBondContact O-CG 3.32Å; R330-L334 PolarHBondContact O-N 2.88Å; T332-L334 VanDerWaalsContact C-N 3.33Å; T332-L334 PolarHBondContact O-N 2.8Å; L334-I340 HydrophobicContact CD2-CD1 4.28Å; L334-I340 HydrophobicContact CD2-CG1 4.45Å; L334-I340 HydrophobicContact CD2-CG2 3.85Å; L334-I340 WeakPolarHBondContact O-CD1 3.16Å; L334-L351 HydrophobicContact CD1-CD2 4.44Å; L334-V356 HydrophobicContact CB-CG2 4.17Å; L334-V356 HydrophobicContact CD1-CG1 4.04Å; L334-V356 HydrophobicContact CD1-CG2 4.25Å; L334-L357 HydrophobicContact CD1-CD2 4.29Å; L334-L357 HydrophobicContact CD2-CD2 4.14Å; L334-N358 WeakPolarHBondContact O-CB 3.36Å; L334-N358 PolarHBondContact O-N 2.82Å; L334-N358 VanDerWaalsContact O-N 3.08Å
335R98.2Very high97.6Very high133 Ų13333.2 Ų33.250%0.50216%0.157SC..Hα-helixtrans-78.7-25177-75.2176.7176172-2113.1R331 T332 A333 V356 N358R331-R335 WeakPolarHBondContact O-CG 3.42Å; R331-R335 PolarHBondContact O-N 2.87Å; T332-R335 PolarHBondContact O-N 2.64Å; T332-R335 VanDerWaalsContact O-N 3.09Å; A333-R335 VanDerWaalsContact C-N 3.3Å; A333-R335 PolarHBondContact O-N 2.89Å; R335-V356 VanDerWaalsContact CG-O 3.29Å; R335-V356 WeakPolarHBondContact CG-O 3.47Å; R335-N358 WeakPolarHBondContact O-CB 3.4Å; R335-N358 PolarHBondContact O-ND2 2.83Å
336E98.3Very high97.6Very high75 Ų7533.4 Ų33.435%0.3515%0.153SC..Hα-helixtrans-98.6-21.4-177.9-69.8173.3-176.300113.5T332 A333 W415 R422T332-E336 WeakPolarHBondContact CG2-OE1 3.44Å; T332-E336 PolarHBondContact O-N 2.9Å; T332-E336 VanDerWaalsContact O-N 3.17Å; A333-E336 PolarHBondContact O-N 3.26Å; E336-W415 HydrophobicContact CB-CH2 3.92Å; E336-W415 HydrophobicContact CB-CZ3 4.13Å; E336-W415 WeakPolarHBondContact OE2-CZ3 3.39Å; E336-R422 IonicContact OE1-CZ 3.73Å; E336-R422 IonicContact OE1-NH1 3.8Å; E336-R422 IonicContact OE1-NH2 2.81Å; E336-R422 PolarHBondContact OE1-NH2 3.08Å; E336-R422 IonicContact OE2-CZ 3.23Å; E336-R422 VanDerWaalsContact OE2-CZ 3.23Å; E336-R422 IonicContact OE2-NH1 2.73Å; E336-R422 PolarHBondContact OE2-NH1 3.08Å; E336-R422 IonicContact OE2-NH2 2.83Å; E336-R422 PolarHBondContact OE2-NH2 3.27Å
337A98.7Very high97.6Very high0 Ų033.3 Ų33.30%015%0.153CC..  trans-58.7146.6178.900000112.3K278 I280 A333 I340 N358 A361K278-A337 VanDerWaalsContact O-CA 3.24Å; K278-A337 WeakPolarHBondContact O-CA 3.24Å; K278-A337 WeakPolarHBondContact O-CB 3.39Å; I280-A337 HydrophobicContact CB-CB 4.26Å; I280-A337 HydrophobicContact CG1-CB 3.76Å; A333-A337 WeakPolarHBondContact O-CB 3.19Å; A333-A337 PolarHBondContact O-N 3.01Å; A337-I340 HydrophobicContact CB-CD1 4.37Å; A337-I340 HydrophobicContact CB-CG1 3.8Å; A337-N358 PolarHBondContact O-ND2 3.27Å; A337-A361 WeakPolarHBondContact O-CB 3.49Å
338D98.5Very high97.6Very high53 Ų5331.2 Ų31.228%0.28315%0.146SC..SBendtrans-101.7-18.4174.467.2-15.3000112.8S276 E277 K278 A361 K362S276-D338 WeakPolarHBondContact CA-OD2 3.34Å; S276-D338 PolarHBondContact OG-OD1 2.63Å; S276-D338 PolarHBondContact OG-OD2 2.94Å; E277-D338 PolarHBondContact N-OD2 3.38Å; K278-D338 VanDerWaalsContact CA-OD1 3.3Å; K278-D338 WeakPolarHBondContact CA-OD1 3.38Å; K278-D338 PolarHBondContact N-OD1 3.11Å; K278-D338 PolarHBondContact N-OD2 3.03Å; K278-D338 PolarHBondContact O-N 2.9Å; K278-D338 VanDerWaalsContact O-OD1 3.07Å; D338-A361 CarbonylContact O-C 3.59Å; D338-A361 WeakPolarHBondContact O-CA 3.49Å; D338-A361 WeakPolarHBondContact O-CB 3.49Å; D338-K362 PolarHBondContact O-N 3.32Å
339L98.9Very high97.5Very high3 Ų335.2 Ų35.22%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-134.3126.8171.1174.862.8000109.2L272 I273 S276 P279 I280 I341 K362 V364L272-L339 HydrophobicContact CB-CD1 4.18Å; L272-L339 HydrophobicContact CB-CD2 4.2Å; I273-L339 HydrophobicContact CB-CD2 4.46Å; I273-L339 HydrophobicContact CG1-CD2 3.85Å; S276-L339 VanDerWaalsContact OG-CB 3.28Å; S276-L339 WeakPolarHBondContact OG-CB 3.32Å; P279-L339 CarbonylContact C-O 3.54Å; P279-L339 WeakPolarHBondContact CA-O 3.49Å; P279-L339 HydrophobicContact CB-CB 4.22Å; P279-L339 HydrophobicContact CB-CD2 4.21Å; P279-L339 HydrophobicContact CB-CG 4.46Å; I280-L339 PolarHBondContact N-O 2.87Å; L339-I341 HydrophobicContact CD1-CG1 4.37Å; L339-I341 HydrophobicContact CD2-CD1 4.33Å; L339-I341 HydrophobicContact CD2-CG1 4.48Å; L339-I341 HydrophobicContact CG-CG1 4.19Å; L339-K362 WeakPolarHBondContact CA-O 3.38Å; L339-K362 HydrophobicContact CD1-CB 4.11Å; L339-K362 WeakPolarHBondContact CD1-O 3.26Å; L339-V364 HydrophobicContact CD1-CG2 3.86Å
340I98.9Very high97.3Very high0 Ų037 Ų370%016%0.162CC..EExtended strand (participates in β ladder)trans-122.5119.7177.1-56.7170.3000108.4L334 A337 L342 L357 A361 K362 I363 V364L334-I340 HydrophobicContact CD2-CD1 4.28Å; L334-I340 HydrophobicContact CD2-CG1 4.45Å; L334-I340 HydrophobicContact CD2-CG2 3.85Å; L334-I340 WeakPolarHBondContact O-CD1 3.16Å; A337-I340 HydrophobicContact CB-CD1 4.37Å; A337-I340 HydrophobicContact CB-CG1 3.8Å; I340-L342 HydrophobicContact CG2-CD2 3.78Å; I340-L342 HydrophobicContact CG2-CG 4.28Å; I340-L357 HydrophobicContact CD1-CB 4.09Å; I340-L357 HydrophobicContact CD1-CD2 4.03Å; I340-L357 HydrophobicContact CG2-CD2 4.24Å; I340-A361 HydrophobicContact CD1-CB 4.1Å; I340-A361 HydrophobicContact CG1-CB 4.19Å; I340-K362 PolarHBondContact N-O 2.76Å; I340-I363 CarbonylContact O-C 3.39Å; I340-I363 WeakPolarHBondContact O-CA 3.18Å; I340-V364 PolarHBondContact O-N 3.03Å
341I98.9Very high97.3Very high1 Ų133.6 Ų33.61%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-106.3107.5177.5-53.8170.6000108.3L269 I273 I280 L281 L282 L306 L339 A343 V364 I366L269-I341 HydrophobicContact CD1-CD1 3.9Å; L269-I341 HydrophobicContact CD1-CG1 4.18Å; I273-I341 HydrophobicContact CD1-CD1 3.89Å; I273-I341 HydrophobicContact CG1-CD1 3.95Å; I280-I341 PolarHBondContact O-N 3.08Å; L281-I341 HydrophobicContact CD1-CB 3.84Å; L281-I341 HydrophobicContact CD1-CG2 3.69Å; L282-I341 PolarHBondContact N-O 2.96Å; L306-I341 HydrophobicContact CD1-CD1 3.97Å; L339-I341 HydrophobicContact CD1-CG1 4.37Å; L339-I341 HydrophobicContact CD2-CD1 4.33Å; L339-I341 HydrophobicContact CD2-CG1 4.48Å; L339-I341 HydrophobicContact CG-CG1 4.19Å; I341-A343 PolarHBondContact O-N 3.49Å; I341-V364 HydrophobicContact CG1-CB 4.31Å; I341-V364 HydrophobicContact CG2-CB 4.45Å; I341-I366 HydrophobicContact CG2-CD1 4.07Å
342L98.8Very high97.2Very high0 Ų028.7 Ų28.70%014%0.135CC..EExtended strand (participates in β ladder)trans-88.397.6174-56.5-175.8000108.9L282 I340 A345 C347 L351 L357 I363 V364 V365 I366L282-L342 HydrophobicContact CB-CD2 4.11Å; L282-L342 HydrophobicContact CD2-CD2 3.89Å; L282-L342 HydrophobicContact CG-CD2 4.49Å; I340-L342 HydrophobicContact CG2-CD2 3.78Å; I340-L342 HydrophobicContact CG2-CG 4.28Å; L342-A345 HydrophobicContact CB-CB 4.26Å; L342-A345 HydrophobicContact CD2-CB 4.38Å; L342-C347 VanDerWaalsContact CD1-SG 3.52Å; L342-L351 HydrophobicContact CD2-CD1 4.48Å; L342-L357 HydrophobicContact CD1-CD1 4.17Å; L342-I363 HydrophobicContact CD1-CG2 4.16Å; L342-I363 HydrophobicContact CG-CG2 4.4Å; L342-V364 PolarHBondContact N-O 3.19Å; L342-V365 HydrophobicContact CB-CG1 4.2Å; L342-V365 HydrophobicContact CB-CG2 4.46Å; L342-V365 HydrophobicContact CD1-CG2 4.2Å; L342-I366 PolarHBondContact O-N 3.35Å
343A98.7Very high97.1Very high0 Ų031.3 Ų31.30%014%0.139CC..EExtended strand (participates in β ladder)trans-9892.2-178.500000110.3L281 L282 I283 S284 I341 A345 I366 V391L281-A343 HydrophobicContact CD1-CB 3.8Å; L282-A343 PolarHBondContact O-N 3.37Å; I283-A343 WeakPolarHBondContact CA-O 3.37Å; I283-A343 HydrophobicContact CB-CB 4.46Å; I283-A343 HydrophobicContact CG1-CB 4.26Å; S284-A343 PolarHBondContact N-O 3.32Å; I341-A343 PolarHBondContact O-N 3.49Å; A343-A345 PolarHBondContact O-N 2.94Å; A343-I366 HydrophobicContact CB-CD1 4.48Å; A343-V391 HydrophobicContact CB-CG1 3.78Å
344G98Very high97Very high5 Ų531.3 Ų31.35%0.05214%0.139CC..BIsolated β-bridgetrans76.5-8.5-174.200000114.5I366G344-I366 WeakPolarHBondContact CA-O 3.29Å; G344-I366 PolarHBondContact N-O 3.05Å
345A97.3Very high96.9Very high4 Ų437 Ų373%0.03316%0.16CC..  trans-71145.4175.400000111.3L282 L342 A343 L351L282-A345 HydrophobicContact CD2-CB 3.84Å; L282-A345 HydrophobicContact CG-CB 3.92Å; L342-A345 HydrophobicContact CB-CB 4.26Å; L342-A345 HydrophobicContact CD2-CB 4.38Å; A343-A345 PolarHBondContact O-N 2.94Å; A345-L351 HydrophobicContact CB-CD1 4.37Å
346I96.3Very high96.8Very high24 Ų2431 Ų3112%0.12314%0.138CC..  trans-117.3133.1-176.5-57175000108.2D348 L351 N372 L375I346-D348 HydrophobicContact CG2-CB 4.32Å; I346-D348 PolarHBondContact O-N 2.98Å; I346-L351 WeakPolarHBondContact O-CD1 3.46Å; I346-N372 HydrophobicContact CD1-CB 4.39Å; I346-N372 WeakPolarHBondContact CD1-ND2 3.26Å; I346-N372 HydrophobicContact CG1-CB 4.21Å; I346-L375 HydrophobicContact CG2-CD2 3.47Å; I346-L375 VanDerWaalsContact CG2-CD2 3.47Å
347C96.7Very high96.8Very high3 Ų327.6 Ų27.62%0.0212%0.123CC..  trans-77.558.7177.3-68.30000112.1L342 Y353 N376 W381L342-C347 VanDerWaalsContact CD1-SG 3.52Å; C347-Y353 WeakPolarHBondContact O-CA 3.36Å; C347-N376 PolarHBondContact O-ND2 3.02Å; C347-W381 HydrophobicContact CB-CZ2 3.74Å; C347-W381 VanDerWaalsContact SG-CZ2 3.57Å
348D94.7Very high96.8Very high20 Ų2029.3 Ų29.311%0.10713%0.132CC..SBendtrans-93.2-166.7171.862.633.1000111.5I346 R350 L351 D352 Y353 L375I346-D348 HydrophobicContact CG2-CB 4.32Å; I346-D348 PolarHBondContact O-N 2.98Å; D348-R350 PolarHBondContact O-N 3.35Å; D348-R350 VanDerWaalsContact O-N 3.12Å; D348-R350 VanDerWaalsContact OD1-CB 3.23Å; D348-R350 WeakPolarHBondContact OD1-CB 3.28Å; D348-R350 WeakPolarHBondContact OD1-CG 3.34Å; D348-R350 IonicContact OD1-CZ 3.26Å; D348-R350 PolarHBondContact OD1-N 2.94Å; D348-R350 IonicContact OD1-NE 2.9Å; D348-R350 PolarHBondContact OD1-NE 3.4Å; D348-R350 IonicContact OD1-NH2 3.84Å; D348-R350 IonicContact OD2-CZ 2.64Å; D348-R350 VanDerWaalsContact OD2-CZ 3.32Å; D348-R350 IonicContact OD2-NE 3.8Å; D348-R350 PolarHBondContact OD2-NE 3.36Å; D348-R350 VanDerWaalsContact OD2-NE 3.12Å; D348-R350 IonicContact OD2-NH2 3.81Å; D348-R350 PolarHBondContact OD2-NH2 2.76Å; D348-L351 CarbonylContact O-C 3.57Å; D348-L351 PolarHBondContact O-N 3.25Å; D348-D352 PolarHBondContact O-N 3.44Å; D348-Y353 PolarHBondContact O-N 3.13Å; D348-L375 HydrophobicContact CB-CD2 4.49Å
349F93.6Very high96.6Very high92 Ų9235.5 Ų35.540%0.40415%0.152SC..G310 helixtrans-54.9-29.1-179.475.8-84000113.5L351 D352 Y353 P494F349-L351 PolarHBondContact O-N 3.06Å; F349-D352 PolarHBondContact O-N 2.91Å; F349-Y353 HydrophobicContact CB-CE1 4.17Å; F349-Y353 HydrophobicContact CB-CE2 4.12Å; F349-P494 HydrophobicContact CE1-CB 4.31Å
350R92.1Very high96.5Very high76 Ų7644.8 Ų44.829%0.28719%0.192SC..G310 helixtrans-69.2-18.8179-56.3173.2-66172.3-4.5113R330 D348R330-R350 PolarHBondContact NH2-O 3.16Å; D348-R350 PolarHBondContact O-N 3.35Å; D348-R350 VanDerWaalsContact O-N 3.12Å; D348-R350 VanDerWaalsContact OD1-CB 3.23Å; D348-R350 WeakPolarHBondContact OD1-CB 3.28Å; D348-R350 WeakPolarHBondContact OD1-CG 3.34Å; D348-R350 IonicContact OD1-CZ 3.26Å; D348-R350 PolarHBondContact OD1-N 2.94Å; D348-R350 IonicContact OD1-NE 2.9Å; D348-R350 PolarHBondContact OD1-NE 3.4Å; D348-R350 IonicContact OD1-NH2 3.84Å; D348-R350 IonicContact OD2-CZ 2.64Å; D348-R350 VanDerWaalsContact OD2-CZ 3.32Å; D348-R350 IonicContact OD2-NE 3.8Å; D348-R350 PolarHBondContact OD2-NE 3.36Å; D348-R350 VanDerWaalsContact OD2-NE 3.12Å; D348-R350 IonicContact OD2-NH2 3.81Å; D348-R350 PolarHBondContact OD2-NH2 2.76Å
351L95Very high96.4Very high8 Ų845.3 Ų45.34%0.04220%0.196CC..G310 helixtrans-114.123.7170.8-67.4-176.3000111.8L282 L334 L342 A345 I346 D348 F349 Y353 G354 V356L282-L351 HydrophobicContact CD2-CD1 3.72Å; L282-L351 HydrophobicContact CD2-CD2 3.69Å; L282-L351 HydrophobicContact CD2-CG 4.33Å; L334-L351 HydrophobicContact CD1-CD2 4.44Å; L342-L351 HydrophobicContact CD2-CD1 4.48Å; A345-L351 HydrophobicContact CB-CD1 4.37Å; I346-L351 WeakPolarHBondContact O-CD1 3.46Å; D348-L351 CarbonylContact O-C 3.57Å; D348-L351 PolarHBondContact O-N 3.25Å; F349-L351 PolarHBondContact O-N 3.06Å; L351-Y353 PolarHBondContact O-N 3.34Å; L351-Y353 VanDerWaalsContact O-N 3.16Å; L351-G354 PolarHBondContact O-N 3.23Å; L351-V356 VanDerWaalsContact O-CG1 3.25Å; L351-V356 WeakPolarHBondContact O-CG1 3.48Å
352D94.7Very high96.4Very high47 Ų4749 Ų4925%0.25121%0.212SC..G310 helixtrans51.540.9179.8-171.420.5000111.7D348 F349 G354 R355D348-D352 PolarHBondContact O-N 3.44Å; F349-D352 PolarHBondContact O-N 2.91Å; D352-G354 PolarHBondContact O-N 3.1Å; D352-R355 HydrophobicContact CB-CB 4.47Å; D352-R355 WeakPolarHBondContact O-CB 3.21Å; D352-R355 PolarHBondContact O-N 3.24Å; D352-R355 IonicContact OD1-NE 3.88Å; D352-R355 WeakPolarHBondContact OD2-CD 3.31Å; D352-R355 IonicContact OD2-NE 3.99Å
353Y96.2Very high96.4Very high113 Ų11349.2 Ų49.244%0.44321%0.213SC..G310 helixtrans56.325-179.1-49.4-85.4000113.8C347 D348 F349 L351C347-Y353 WeakPolarHBondContact O-CA 3.36Å; D348-Y353 PolarHBondContact O-N 3.13Å; F349-Y353 HydrophobicContact CB-CE1 4.17Å; F349-Y353 HydrophobicContact CB-CE2 4.12Å; L351-Y353 PolarHBondContact O-N 3.34Å; L351-Y353 VanDerWaalsContact O-N 3.16Å
354G97Very high96.4Very high0 Ų049.2 Ų49.20%021%0.213CC..G310 helixtrans84.1-0.7-176.400000115L351 D352 V356 L357L351-G354 PolarHBondContact O-N 3.23Å; D352-G354 PolarHBondContact O-N 3.1Å; G354-V356 PolarHBondContact O-N 3.28Å; G354-L357 WeakPolarHBondContact O-CB 3.45Å; G354-L357 WeakPolarHBondContact O-CG 3.45Å; G354-L357 PolarHBondContact O-N 3.39Å
355R96.5Very high96.5Very high119 Ų11949 Ų4945%0.44921%0.211SC..THydrogen-bonded Turntrans-63-26.4177.7-171.6-167.9-55.6-82.3-2.9113.2D352 L357 F380D352-R355 HydrophobicContact CB-CB 4.47Å; D352-R355 WeakPolarHBondContact O-CB 3.21Å; D352-R355 PolarHBondContact O-N 3.24Å; D352-R355 IonicContact OD1-NE 3.88Å; D352-R355 WeakPolarHBondContact OD2-CD 3.31Å; D352-R355 IonicContact OD2-NE 3.99Å; R355-L357 VanDerWaalsContact C-N 3.26Å; R355-L357 PolarHBondContact O-N 2.88Å; R355-F380 HydrophobicContact CB-CB 4.23Å; R355-F380 HydrophobicContact CB-CD2 4.36Å; R355-F380 HydrophobicContact CB-CG 4.19Å; R355-F380 HydrophobicContact CG-CG 4.49Å
356V96.1Very high96.5Very high7 Ų748.8 Ų48.84%0.04221%0.209CC..THydrogen-bonded Turntrans-70.5-21175.766.80000113.5R331 L334 R335 L351 G354R331-V356 HydrophobicContact CB-CG2 4.06Å; R331-V356 HydrophobicContact CG-CG2 3.61Å; L334-V356 HydrophobicContact CB-CG2 4.17Å; L334-V356 HydrophobicContact CD1-CG1 4.04Å; L334-V356 HydrophobicContact CD1-CG2 4.25Å; R335-V356 VanDerWaalsContact CG-O 3.29Å; R335-V356 WeakPolarHBondContact CG-O 3.47Å; L351-V356 VanDerWaalsContact O-CG1 3.25Å; L351-V356 WeakPolarHBondContact O-CG1 3.48Å; G354-V356 PolarHBondContact O-N 3.28Å
357L98.2Very high96.6Very high4 Ų447.7 Ų47.72%0.02120%0.203CC..SBendtrans-72.7136.1-176.8-53.1179.9000110L334 I340 L342 G354 R355 R359 I363 W381L334-L357 HydrophobicContact CD1-CD2 4.29Å; L334-L357 HydrophobicContact CD2-CD2 4.14Å; I340-L357 HydrophobicContact CD1-CB 4.09Å; I340-L357 HydrophobicContact CD1-CD2 4.03Å; I340-L357 HydrophobicContact CG2-CD2 4.24Å; L342-L357 HydrophobicContact CD1-CD1 4.17Å; G354-L357 WeakPolarHBondContact O-CB 3.45Å; G354-L357 WeakPolarHBondContact O-CG 3.45Å; G354-L357 PolarHBondContact O-N 3.39Å; R355-L357 VanDerWaalsContact C-N 3.26Å; R355-L357 PolarHBondContact O-N 2.88Å; L357-R359 PolarHBondContact O-N 2.8Å; L357-R359 VanDerWaalsContact O-N 3.15Å; L357-I363 HydrophobicContact CB-CD1 3.96Å; L357-I363 HydrophobicContact CD1-CD1 3.91Å; L357-I363 HydrophobicContact CD1-CG2 4.41Å; L357-W381 HydrophobicContact CD1-CB 4.12Å; L357-W381 HydrophobicContact CD1-CD2 4.13Å; L357-W381 HydrophobicContact CD1-CE3 4.25Å; L357-W381 HydrophobicContact CD1-CG 4.09Å
358N97.8Very high96.7Very high37 Ų3747.7 Ų47.720%0.19820%0.203CC..  trans-60.1118.2173.9-177.1-1.8000110.8L334 R335 A337 K360 A361L334-N358 WeakPolarHBondContact O-CB 3.36Å; L334-N358 PolarHBondContact O-N 2.82Å; L334-N358 VanDerWaalsContact O-N 3.08Å; R335-N358 WeakPolarHBondContact O-CB 3.4Å; R335-N358 PolarHBondContact O-ND2 2.83Å; A337-N358 PolarHBondContact O-ND2 3.27Å; N358-K360 PolarHBondContact O-N 3.18Å; N358-K360 PolarHBondContact OD1-N 3.26Å; N358-A361 HydrophobicContact CB-CB 3.89Å; N358-A361 WeakPolarHBondContact O-CB 3.17Å; N358-A361 PolarHBondContact O-N 3.1Å
359R94.5Very high96.8Very high183 Ų18349 Ų4969%0.69121%0.21SC*.THydrogen-bonded Turntrans-62.6-23.3-179.8-66.9-175.4179.1178.90.5114L357L357-R359 PolarHBondContact O-N 2.8Å; L357-R359 VanDerWaalsContact O-N 3.15Å
360K95.9Very high97Very high198 Ų19851.1 Ų51.186%0.86122%0.219SC*.THydrogen-bonded Turntrans-87.9-13.7177.4-64.1-177.1179.3179.80112.6N358N358-K360 PolarHBondContact O-N 3.18Å; N358-K360 PolarHBondContact OD1-N 3.26Å
361A98.3Very high97.2Very high11 Ų1154.8 Ų54.89%0.09124%0.237CC..SBendtrans-73151.8179.700000111.7A337 D338 I340 N358 I363A337-A361 WeakPolarHBondContact O-CB 3.49Å; D338-A361 CarbonylContact O-C 3.59Å; D338-A361 WeakPolarHBondContact O-CA 3.49Å; D338-A361 WeakPolarHBondContact O-CB 3.49Å; I340-A361 HydrophobicContact CD1-CB 4.1Å; I340-A361 HydrophobicContact CG1-CB 4.19Å; N358-A361 HydrophobicContact CB-CB 3.89Å; N358-A361 WeakPolarHBondContact O-CB 3.17Å; N358-A361 PolarHBondContact O-N 3.1Å; A361-I363 PolarHBondContact O-N 3.28Å
362K98.7Very high97.3Very high79 Ų7955.4 Ų55.434%0.34324%0.241SC..EExtended strand (participates in β ladder)trans-78.2118.1165-65.3178.6-174.7158.30108.1L272 D338 L339 I340 Y384L272-K362 HydrophobicContact CD2-CD 3.49Å; L272-K362 VanDerWaalsContact CD2-CD 3.49Å; D338-K362 PolarHBondContact O-N 3.32Å; L339-K362 WeakPolarHBondContact CA-O 3.38Å; L339-K362 HydrophobicContact CD1-CB 4.11Å; L339-K362 WeakPolarHBondContact CD1-O 3.26Å; I340-K362 PolarHBondContact N-O 2.76Å; K362-Y384 HydrophobicContact CB-CD1 4.33Å; K362-Y384 HydrophobicContact CB-CD2 4.36Å; K362-Y384 HydrophobicContact CB-CG 4.02Å; K362-Y384 HydrophobicContact CD-CD1 4.37Å; K362-Y384 HydrophobicContact CD-CD2 4.33Å; K362-Y384 HydrophobicContact CD-CE1 4.19Å; K362-Y384 HydrophobicContact CD-CE2 4.12Å; K362-Y384 HydrophobicContact CD-CG 4.45Å; K362-Y384 HydrophobicContact CG-CD1 4.43Å; K362-Y384 HydrophobicContact CG-CD2 3.92Å; K362-Y384 HydrophobicContact CG-CE2 4.15Å; K362-Y384 HydrophobicContact CG-CG 4.07Å
363I98.7Very high97.4Very high3 Ų353.3 Ų53.32%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-101120.1-179.1-57.6167.9000109.4I340 L342 L357 A361 V365 W381 Y384 L385I340-I363 CarbonylContact O-C 3.39Å; I340-I363 WeakPolarHBondContact O-CA 3.18Å; L342-I363 HydrophobicContact CD1-CG2 4.16Å; L342-I363 HydrophobicContact CG-CG2 4.4Å; L357-I363 HydrophobicContact CB-CD1 3.96Å; L357-I363 HydrophobicContact CD1-CD1 3.91Å; L357-I363 HydrophobicContact CD1-CG2 4.41Å; A361-I363 PolarHBondContact O-N 3.28Å; I363-V365 HydrophobicContact CG2-CG2 4.14Å; I363-W381 HydrophobicContact CD1-CB 3.89Å; I363-W381 HydrophobicContact CD1-CE3 4.04Å; I363-W381 HydrophobicContact CG2-CE3 3.91Å; I363-W381 HydrophobicContact CG2-CZ3 3.94Å; I363-Y384 WeakPolarHBondContact O-CB 3.4Å; I363-Y384 PolarHBondContact O-N 2.85Å; I363-L385 PolarHBondContact O-N 3.34Å
364V98.8Very high97.5Very high0 Ų052.9 Ų52.90%023%0.228CC..EExtended strand (participates in β ladder)trans-106.5132.3176.2-177.40000108.5L269 L272 L339 I340 I341 L342 L385L269-V364 HydrophobicContact CD1-CB 4.22Å; L269-V364 HydrophobicContact CD1-CG1 3.87Å; L269-V364 HydrophobicContact CD1-CG2 3.85Å; L269-V364 HydrophobicContact CD2-CG1 4.25Å; L272-V364 HydrophobicContact CD1-CG2 3.77Å; L339-V364 HydrophobicContact CD1-CG2 3.86Å; I340-V364 PolarHBondContact O-N 3.03Å; I341-V364 HydrophobicContact CG1-CB 4.31Å; I341-V364 HydrophobicContact CG2-CB 4.45Å; L342-V364 PolarHBondContact N-O 3.19Å; V364-L385 CarbonylContact C-O 3.58Å; V364-L385 VanDerWaalsContact CA-O 3.31Å; V364-L385 WeakPolarHBondContact CA-O 3.09Å; V364-L385 HydrophobicContact CG1-CB 4.25Å; V364-L385 HydrophobicContact CG1-CD2 4.21Å; V364-L385 HydrophobicContact CG1-CG 4.33Å; V364-L385 HydrophobicContact CG2-CB 4.22Å
365V98.7Very high97.5Very high1 Ų155 Ų551%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-124.2124.6179.8-164.10000110L342 I363 L373 W381 P383 L385 T386 I387L342-V365 HydrophobicContact CB-CG1 4.2Å; L342-V365 HydrophobicContact CB-CG2 4.46Å; L342-V365 HydrophobicContact CD1-CG2 4.2Å; I363-V365 HydrophobicContact CG2-CG2 4.14Å; V365-L373 HydrophobicContact CB-CD2 4.13Å; V365-L373 HydrophobicContact CG1-CD2 3.91Å; V365-L373 WeakPolarHBondContact O-CD2 3.45Å; V365-W381 HydrophobicContact CG2-CH2 3.92Å; V365-W381 HydrophobicContact CG2-CZ3 3.69Å; V365-P383 HydrophobicContact CG2-CB 4.14Å; V365-L385 PolarHBondContact N-O 3.38Å; V365-T386 WeakPolarHBondContact O-CA 3.26Å; V365-I387 PolarHBondContact O-N 3.03Å
366I98.8Very high97.5Very high0 Ų051.8 Ų51.80%023%0.23CC..EExtended strand (participates in β ladder)trans-115.9116.5176.7-49.2164.5000107.1L269 I341 L342 A343 G344 I387 V391 T394L269-I366 HydrophobicContact CD2-CD1 4.16Å; I341-I366 HydrophobicContact CG2-CD1 4.07Å; L342-I366 PolarHBondContact O-N 3.35Å; A343-I366 HydrophobicContact CB-CD1 4.48Å; G344-I366 WeakPolarHBondContact CA-O 3.29Å; G344-I366 PolarHBondContact N-O 3.05Å; I366-I387 WeakPolarHBondContact CA-O 3.41Å; I366-I387 HydrophobicContact CG1-CB 4.2Å; I366-I387 HydrophobicContact CG1-CD1 4.23Å; I366-I387 HydrophobicContact CG1-CG1 4.49Å; I366-I387 HydrophobicContact CG2-CB 4.34Å; I366-I387 HydrophobicContact CG2-CG2 4.47Å; I366-V391 HydrophobicContact CB-CG2 4.4Å; I366-V391 HydrophobicContact CG2-CG2 3.95Å; I366-T394 HydrophobicContact CD1-CG2 3.72Å; I366-T394 HydrophobicContact CG1-CG2 4.25Å; I366-T394 HydrophobicContact CG2-CG2 4.08Å
367N98.5Very high97.5Very high0 Ų051.9 Ų51.90%023%0.232CC..  trans-156.3142.5-179.9-157.6-69.8000110.5Q286 N369 L373 I387 Q388 A389Q286-N367 PolarHBondContact NE2-OD1 2.9Å; Q286-N367 PolarHBondContact OE1-OD1 3.35Å; N367-N369 VanDerWaalsContact C-N 3.28Å; N367-N369 PolarHBondContact O-N 3.18Å; N367-N369 WeakPolarHBondContact OD1-CB 3.31Å; N367-N369 PolarHBondContact OD1-N 2.86Å; N367-L373 HydrophobicContact CB-CD2 3.6Å; N367-L373 HydrophobicContact CB-CG 4.07Å; N367-I387 PolarHBondContact N-O 3.05Å; N367-I387 VanDerWaalsContact N-O 3.12Å; N367-Q388 VanDerWaalsContact O-CA 3.28Å; N367-Q388 WeakPolarHBondContact O-CA 3.36Å; N367-A389 CarbonylContact C-O 3.58Å; N367-A389 PolarHBondContact O-N 3.45Å
368R97.9Very high97.3Very high4 Ų457.2 Ų57.22%0.01526%0.26CS..SBendtrans-67.4-32.1174.1-61.2-172.8-176-1712.4112.2D182 P259 P290 Q388 A389 D390D182-R368 WeakPolarHBondContact O-CD 3.35Å; P259-R368 HydrophobicContact CG-CB 4.03Å; P259-R368 HydrophobicContact CG-CG 4.09Å; P290-R368 PolarHBondContact O-NH2 2.55Å; R368-Q388 WeakPolarHBondContact O-CG 3.1Å; R368-Q388 PolarHBondContact O-NE2 2.83Å; R368-A389 PolarHBondContact N-O 2.78Å; R368-D390 IonicContact CZ-OD1 2.8Å; R368-D390 IonicContact NE-OD1 3.07Å; R368-D390 PolarHBondContact NE-OD1 2.85Å; R368-D390 IonicContact NH2-OD1 2.63Å; R368-D390 PolarHBondContact NH2-OD1 3.18Å
369N97.4Very high97Very high47 Ų4764 Ų6425%0.25129%0.285SS..  trans-89119.3-176.1-165.6-63.4000111.3T183 N367 K371 N372 L373T183-N369 HydrophobicContact CG2-CB 4.19Å; T183-N369 VanDerWaalsContact OG1-CA 3.28Å; T183-N369 WeakPolarHBondContact OG1-CA 3.27Å; T183-N369 WeakPolarHBondContact OG1-CB 3.37Å; T183-N369 PolarHBondContact OG1-N 3.19Å; T183-N369 PolarHBondContact OG1-ND2 3.48Å; N367-N369 VanDerWaalsContact C-N 3.28Å; N367-N369 PolarHBondContact O-N 3.18Å; N367-N369 WeakPolarHBondContact OD1-CB 3.31Å; N367-N369 PolarHBondContact OD1-N 2.86Å; N369-K371 VanDerWaalsContact C-N 3.31Å; N369-K371 PolarHBondContact O-N 2.86Å; N369-K371 WeakPolarHBondContact OD1-CA 3.35Å; N369-K371 WeakPolarHBondContact OD1-CB 3.47Å; N369-K371 PolarHBondContact OD1-N 3.47Å; N369-N372 HydrophobicContact CB-CB 3.97Å; N369-N372 WeakPolarHBondContact CB-ND2 3.41Å; N369-N372 PolarHBondContact O-N 2.88Å; N369-N372 PolarHBondContact OD1-N 3.25Å; N369-L373 PolarHBondContact O-N 2.84Å
370K97Very high96.8Very high136 Ų13658 Ų5859%0.59126%0.263SS*.Hα-helixtrans-59.2-38.4178-174.5176.4177.4-179.20113N372 L373 Y374K370-N372 VanDerWaalsContact C-N 3.35Å; K370-L373 WeakPolarHBondContact O-CB 3.28Å; K370-L373 PolarHBondContact O-N 3.28Å; K370-Y374 HydrophobicContact CG-CE2 4.48Å; K370-Y374 VanDerWaalsContact O-CD2 3.31Å; K370-Y374 WeakPolarHBondContact O-CD2 3.44Å
371K96.7Very high96.8Very high154 Ų15449.1 Ų49.167%0.6722%0.224SC*.Hα-helixtrans-64.1-41.5178.2-176.2-176.6174.9-177.90110.9N369 L373 Y374 L375N369-K371 VanDerWaalsContact C-N 3.31Å; N369-K371 PolarHBondContact O-N 2.86Å; N369-K371 WeakPolarHBondContact OD1-CA 3.35Å; N369-K371 WeakPolarHBondContact OD1-CB 3.47Å; N369-K371 PolarHBondContact OD1-N 3.47Å; K371-L373 VanDerWaalsContact C-N 3.29Å; K371-L373 PolarHBondContact O-N 2.94Å; K371-Y374 PolarHBondContact O-N 3.45Å; K371-L375 PolarHBondContact O-N 3.14Å; K371-L375 VanDerWaalsContact O-N 3.14Å
372N96.6Very high96.7Very high21 Ų2157.5 Ų57.511%0.11225%0.254CS..Hα-helixtrans-70.5-24.2-178-64.5-15.5000113E123 I346 N369 K370 Y374E123-N372 PolarHBondContact OE1-ND2 3.28Å; I346-N372 HydrophobicContact CD1-CB 4.39Å; I346-N372 WeakPolarHBondContact CD1-ND2 3.26Å; I346-N372 HydrophobicContact CG1-CB 4.21Å; N369-N372 HydrophobicContact CB-CB 3.97Å; N369-N372 WeakPolarHBondContact CB-ND2 3.41Å; N369-N372 PolarHBondContact O-N 2.88Å; N369-N372 PolarHBondContact OD1-N 3.25Å; K370-N372 VanDerWaalsContact C-N 3.35Å; N372-Y374 PolarHBondContact O-N 3.08Å
373L97.6Very high96.7Very high3 Ų354.8 Ų54.82%0.01624%0.244CC..Hα-helixtrans-59.9-28.1172.3-69.2173.1000113.4V365 N367 N369 K370 K371 T386 Q388V365-L373 HydrophobicContact CB-CD2 4.13Å; V365-L373 HydrophobicContact CG1-CD2 3.91Å; V365-L373 WeakPolarHBondContact O-CD2 3.45Å; N367-L373 HydrophobicContact CB-CD2 3.6Å; N367-L373 HydrophobicContact CB-CG 4.07Å; N369-L373 PolarHBondContact O-N 2.84Å; K370-L373 WeakPolarHBondContact O-CB 3.28Å; K370-L373 PolarHBondContact O-N 3.28Å; K371-L373 VanDerWaalsContact C-N 3.29Å; K371-L373 PolarHBondContact O-N 2.94Å; L373-T386 HydrophobicContact CB-CG2 4.46Å; L373-Q388 HydrophobicContact CD1-CB 3.69Å; L373-Q388 HydrophobicContact CD1-CG 4.09Å
374Y97.7Very high96.6Very high104 Ų10460.3 Ų60.341%0.40827%0.266SS..THydrogen-bonded Turntrans-124.110.3-172-57.2-83.9000113.1K370 K371 N372 N376 A377 P383 T386K370-Y374 HydrophobicContact CG-CE2 4.48Å; K370-Y374 VanDerWaalsContact O-CD2 3.31Å; K370-Y374 WeakPolarHBondContact O-CD2 3.44Å; K371-Y374 PolarHBondContact O-N 3.45Å; N372-Y374 PolarHBondContact O-N 3.08Å; Y374-N376 PolarHBondContact O-N 2.97Å; Y374-N376 VanDerWaalsContact O-N 3.15Å; Y374-A377 VanDerWaalsContact O-CB 3.28Å; Y374-A377 WeakPolarHBondContact O-CB 3.35Å; Y374-A377 PolarHBondContact O-N 2.77Å; Y374-P383 HydrophobicContact CD1-CG 3.98Å; Y374-P383 HydrophobicContact CE1-CG 4.03Å; Y374-T386 HydrophobicContact CE1-CG2 3.77Å; Y374-T386 PolarHBondContact OH-OG1 3.38Å
375L97.3Very high96.6Very high45 Ų4561.6 Ų61.624%0.23627%0.272CS..THydrogen-bonded Turntrans-62.8120.4-176-173.270.1000110.5I346 D348 K371 A377 W381I346-L375 HydrophobicContact CG2-CD2 3.47Å; I346-L375 VanDerWaalsContact CG2-CD2 3.47Å; D348-L375 HydrophobicContact CB-CD2 4.49Å; K371-L375 PolarHBondContact O-N 3.14Å; K371-L375 VanDerWaalsContact O-N 3.14Å; L375-A377 PolarHBondContact O-N 2.96Å; L375-W381 VanDerWaalsContact O-CZ2 3.31Å; L375-W381 WeakPolarHBondContact O-CZ2 3.45Å
376N97.1Very high96.6Very high51 Ų5163.1 Ų63.127%0.27328%0.282SS..THydrogen-bonded Turntrans61.714.9-174.7-52-50.3000115C347 Y374 W381C347-N376 PolarHBondContact O-ND2 3.02Å; Y374-N376 PolarHBondContact O-N 2.97Å; Y374-N376 VanDerWaalsContact O-N 3.15Å; N376-W381 PolarHBondContact O-NE1 3.45Å; N376-W381 VanDerWaalsContact O-NE1 3.1Å
377A96.3Very high96.6Very high8 Ų863.1 Ų63.17%0.06628%0.282CS..THydrogen-bonded Turntrans-63.8158171.400000111Y374 L375 Y379 W381Y374-A377 VanDerWaalsContact O-CB 3.28Å; Y374-A377 WeakPolarHBondContact O-CB 3.35Å; Y374-A377 PolarHBondContact O-N 2.77Å; L375-A377 PolarHBondContact O-N 2.96Å; A377-Y379 VanDerWaalsContact O-CD2 3.27Å; A377-Y379 WeakPolarHBondContact O-CD2 3.12Å; A377-Y379 PolarHBondContact O-N 2.8Å; A377-W381 HydrophobicContact CB-CH2 4.32Å; A377-W381 HydrophobicContact CB-CZ2 3.98Å
378D93.9Very high96.6Very high116 Ų11667.3 Ų67.362%0.6230%0.301SS*.THydrogen-bonded Turntrans68.90.4178.4-53.3-49.2000115.9W381 R382D378-W381 PolarHBondContact N-O 2.85Å; D378-R382 WeakPolarHBondContact OD1-CD 3.11Å; D378-R382 WeakPolarHBondContact OD1-CG 3.22Å; D378-R382 IonicContact OD1-NE 3.68Å
379Y90.4Very high96.6Very high181 Ų18167.1 Ų67.171%0.7130%0.3SS*.THydrogen-bonded Turntrans-94.2-53.9169.2-65.3-85.6000112.8A377A377-Y379 VanDerWaalsContact O-CD2 3.27Å; A377-Y379 WeakPolarHBondContact O-CD2 3.12Å; A377-Y379 PolarHBondContact O-N 2.8Å
380F90.2Very high96.7Very high56 Ų5664.9 Ų64.925%0.24629%0.288CS..SBendtrans-124.3-16.8-175.9-52.1-59.1000113.7R355R355-F380 HydrophobicContact CB-CB 4.23Å; R355-F380 HydrophobicContact CB-CD2 4.36Å; R355-F380 HydrophobicContact CB-CG 4.19Å; R355-F380 HydrophobicContact CG-CG 4.49Å
381W96Very high96.8Very high11 Ų1158.4 Ų58.44%0.04226%0.26CS..  trans-151.8158.9-174.672.5-78.5000109.4C347 L357 I363 V365 L375 N376 A377 D378 P383C347-W381 HydrophobicContact CB-CZ2 3.74Å; C347-W381 VanDerWaalsContact SG-CZ2 3.57Å; L357-W381 HydrophobicContact CD1-CB 4.12Å; L357-W381 HydrophobicContact CD1-CD2 4.13Å; L357-W381 HydrophobicContact CD1-CE3 4.25Å; L357-W381 HydrophobicContact CD1-CG 4.09Å; I363-W381 HydrophobicContact CD1-CB 3.89Å; I363-W381 HydrophobicContact CD1-CE3 4.04Å; I363-W381 HydrophobicContact CG2-CE3 3.91Å; I363-W381 HydrophobicContact CG2-CZ3 3.94Å; V365-W381 HydrophobicContact CG2-CH2 3.92Å; V365-W381 HydrophobicContact CG2-CZ3 3.69Å; L375-W381 VanDerWaalsContact O-CZ2 3.31Å; L375-W381 WeakPolarHBondContact O-CZ2 3.45Å; N376-W381 PolarHBondContact O-NE1 3.45Å; N376-W381 VanDerWaalsContact O-NE1 3.1Å; A377-W381 HydrophobicContact CB-CH2 4.32Å; A377-W381 HydrophobicContact CB-CZ2 3.98Å; D378-W381 PolarHBondContact N-O 2.85Å; W381-P383 HydrophobicContact CZ3-CB 4.02Å; W381-P383 HydrophobicContact CZ3-CG 4.34Å
382R96.5Very high96.8Very high188 Ų18851 Ų5171%0.70923%0.228SC*.  trans-140.1132.4176.9-174.2171.4-178.7-172.10.9110.1D378 Y384D378-R382 WeakPolarHBondContact OD1-CD 3.11Å; D378-R382 WeakPolarHBondContact OD1-CG 3.22Å; D378-R382 IonicContact OD1-NE 3.68Å; R382-Y384 PolarHBondContact O-N 3.09Å
383P97.5Very high96.9Very high22 Ų2250.3 Ų50.314%0.14322%0.224CC..  trans-67.4127.6175.627.2-33.4000110.3V365 Y374 W381 T386V365-P383 HydrophobicContact CG2-CB 4.14Å; Y374-P383 HydrophobicContact CD1-CG 3.98Å; Y374-P383 HydrophobicContact CE1-CG 4.03Å; W381-P383 HydrophobicContact CZ3-CB 4.02Å; W381-P383 HydrophobicContact CZ3-CG 4.34Å; P383-T386 HydrophobicContact CB-CG2 3.55Å; P383-T386 HydrophobicContact CG-CG2 3.85Å
384Y98.3Very high97Very high119 Ų11950.1 Ų50.147%0.46722%0.224SC..SBendtrans-79-37.7169.7-175.5-86.9000111.2L272 K362 I363 R382L272-Y384 HydrophobicContact CD1-CD1 3.86Å; L272-Y384 HydrophobicContact CD1-CE1 3.98Å; L272-Y384 HydrophobicContact CD2-CD1 4.36Å; L272-Y384 HydrophobicContact CD2-CE1 3.82Å; L272-Y384 HydrophobicContact CG-CE1 4.47Å; K362-Y384 HydrophobicContact CB-CD1 4.33Å; K362-Y384 HydrophobicContact CB-CD2 4.36Å; K362-Y384 HydrophobicContact CB-CG 4.02Å; K362-Y384 HydrophobicContact CD-CD1 4.37Å; K362-Y384 HydrophobicContact CD-CD2 4.33Å; K362-Y384 HydrophobicContact CD-CE1 4.19Å; K362-Y384 HydrophobicContact CD-CE2 4.12Å; K362-Y384 HydrophobicContact CD-CG 4.45Å; K362-Y384 HydrophobicContact CG-CD1 4.43Å; K362-Y384 HydrophobicContact CG-CD2 3.92Å; K362-Y384 HydrophobicContact CG-CE2 4.15Å; K362-Y384 HydrophobicContact CG-CG 4.07Å; I363-Y384 WeakPolarHBondContact O-CB 3.4Å; I363-Y384 PolarHBondContact O-N 2.85Å; R382-Y384 PolarHBondContact O-N 3.09Å
385L98.6Very high97Very high27 Ų2745.2 Ų45.214%0.14120%0.204CC..EExtended strand (participates in β ladder)trans-141.7126.6176177.164.3000109.8Q265 K268 L269 L272 I363 V364 V365 I387Q265-L385 HydrophobicContact CG-CD1 4.42Å; K268-L385 HydrophobicContact CB-CD2 4.27Å; K268-L385 HydrophobicContact CG-CD2 4.2Å; L269-L385 HydrophobicContact CB-CD2 4.23Å; L272-L385 HydrophobicContact CD1-CD2 4.39Å; I363-L385 PolarHBondContact O-N 3.34Å; V364-L385 CarbonylContact C-O 3.58Å; V364-L385 VanDerWaalsContact CA-O 3.31Å; V364-L385 WeakPolarHBondContact CA-O 3.09Å; V364-L385 HydrophobicContact CG1-CB 4.25Å; V364-L385 HydrophobicContact CG1-CD2 4.21Å; V364-L385 HydrophobicContact CG1-CG 4.33Å; V364-L385 HydrophobicContact CG2-CB 4.22Å; V365-L385 PolarHBondContact N-O 3.38Å; L385-I387 HydrophobicContact CD2-CD1 4.21Å; L385-I387 HydrophobicContact CD2-CG1 4.39Å; L385-I387 HydrophobicContact CG-CG1 4.18Å
386T98.5Very high97Very high32 Ų3246.6 Ų46.620%0.19621%0.207CC..EExtended strand (participates in β ladder)trans-109.5134172.558.50000110.8Q265 V365 L373 Y374 P383Q265-T386 PolarHBondContact NE2-O 3.4Å; V365-T386 WeakPolarHBondContact O-CA 3.26Å; L373-T386 HydrophobicContact CB-CG2 4.46Å; Y374-T386 HydrophobicContact CE1-CG2 3.77Å; Y374-T386 PolarHBondContact OH-OG1 3.38Å; P383-T386 HydrophobicContact CB-CG2 3.55Å; P383-T386 HydrophobicContact CG-CG2 3.85Å
387I98.7Very high97.1Very high0 Ų046.3 Ų46.30%021%0.205CC..EExtended strand (participates in β ladder)trans-123100.6176.6-50.9-176.5000107.8P261 Q265 L269 V365 I366 N367 L385 A389 T394P261-I387 HydrophobicContact CB-CG2 4.11Å; Q265-I387 HydrophobicContact CB-CD1 3.99Å; Q265-I387 HydrophobicContact CB-CG1 4.04Å; Q265-I387 HydrophobicContact CB-CG2 4.49Å; Q265-I387 HydrophobicContact CG-CG1 4.32Å; L269-I387 HydrophobicContact CD2-CD1 4.09Å; V365-I387 PolarHBondContact O-N 3.03Å; I366-I387 WeakPolarHBondContact CA-O 3.41Å; I366-I387 HydrophobicContact CG1-CB 4.2Å; I366-I387 HydrophobicContact CG1-CD1 4.23Å; I366-I387 HydrophobicContact CG1-CG1 4.49Å; I366-I387 HydrophobicContact CG2-CB 4.34Å; I366-I387 HydrophobicContact CG2-CG2 4.47Å; N367-I387 PolarHBondContact N-O 3.05Å; N367-I387 VanDerWaalsContact N-O 3.12Å; L385-I387 HydrophobicContact CD2-CD1 4.21Å; L385-I387 HydrophobicContact CD2-CG1 4.39Å; L385-I387 HydrophobicContact CG-CG1 4.18Å; I387-A389 VanDerWaalsContact C-N 3.32Å; I387-A389 HydrophobicContact CG2-CB 3.75Å; I387-A389 PolarHBondContact O-N 2.89Å; I387-T394 HydrophobicContact CD1-CG2 4.17Å; I387-T394 HydrophobicContact CG2-CG2 4.35Å
388Q98.4Very high97.2Very high88 Ų8846 Ų4641%0.41120%0.202SC..  trans-77.985.1172.5-166.8-174.6-11.700109.5N367 R368 L373N367-Q388 VanDerWaalsContact O-CA 3.28Å; N367-Q388 WeakPolarHBondContact O-CA 3.36Å; R368-Q388 WeakPolarHBondContact O-CG 3.1Å; R368-Q388 PolarHBondContact O-NE2 2.83Å; L373-Q388 HydrophobicContact CD1-CB 3.69Å; L373-Q388 HydrophobicContact CD1-CG 4.09Å
389A98.5Very high97.3Very high0 Ų040.8 Ų40.80%018%0.175CC..SBendtrans-155.2167.8-175.400000111.9P259 P261 N367 R368 I387P259-A389 CarbonylContact O-C 3.55Å; P259-A389 WeakPolarHBondContact O-CA 3.3Å; P261-A389 HydrophobicContact CB-CB 3.91Å; P261-A389 HydrophobicContact CG-CB 4.45Å; N367-A389 CarbonylContact C-O 3.58Å; N367-A389 PolarHBondContact O-N 3.45Å; R368-A389 PolarHBondContact N-O 2.78Å; I387-A389 VanDerWaalsContact C-N 3.32Å; I387-A389 HydrophobicContact CG2-CB 3.75Å; I387-A389 PolarHBondContact O-N 2.89Å
390D98.5Very high97.6Very high0 Ų037.2 Ų37.20%017%0.167CC..  trans-58.8132.4163.9175.648000111.8I258 P259 R368 G392 T393 T394I258-D390 HydrophobicContact CG2-CB 3.79Å; P259-D390 PolarHBondContact O-N 2.9Å; R368-D390 IonicContact CZ-OD1 2.8Å; R368-D390 IonicContact NE-OD1 3.07Å; R368-D390 PolarHBondContact NE-OD1 2.85Å; R368-D390 IonicContact NH2-OD1 2.63Å; R368-D390 PolarHBondContact NH2-OD1 3.18Å; D390-G392 PolarHBondContact OD2-N 3.25Å; D390-T393 VanDerWaalsContact OD2-CB 3.26Å; D390-T393 WeakPolarHBondContact OD2-CB 3.29Å; D390-T393 PolarHBondContact OD2-N 3.09Å; D390-T393 PolarHBondContact OD2-OG1 2.85Å; D390-T394 WeakPolarHBondContact O-CB 3.49Å; D390-T394 PolarHBondContact O-N 3.26Å; D390-T394 PolarHBondContact O-OG1 2.62Å
391V98.6Very high97.8Very high0 Ų037.6 Ų37.60%017%0.17CC..Hα-helixtrans-71.1-48.1-176.2175.50000110.9Q286 A287 A343 I366 T393 T394 L395Q286-V391 HydrophobicContact CB-CB 4.41Å; Q286-V391 HydrophobicContact CB-CG2 3.76Å; A287-V391 HydrophobicContact CB-CB 4.43Å; A287-V391 HydrophobicContact CB-CG1 3.72Å; A343-V391 HydrophobicContact CB-CG1 3.78Å; I366-V391 HydrophobicContact CB-CG2 4.4Å; I366-V391 HydrophobicContact CG2-CG2 3.95Å; V391-T393 PolarHBondContact O-N 3.16Å; V391-T394 PolarHBondContact O-N 2.9Å; V391-T394 VanDerWaalsContact O-N 3.15Å; V391-L395 HydrophobicContact CG1-CD1 3.72Å; V391-L395 HydrophobicContact CG1-CG 4.21Å; V391-L395 VanDerWaalsContact O-CG 3.3Å; V391-L395 WeakPolarHBondContact O-CG 3.18Å; V391-L395 PolarHBondContact O-N 2.94Å
392G98.3Very high97.7Very high0 Ų037.5 Ų37.50%017%0.17CC..Hα-helixtrans-58.5-47.6-179.500000112D390 T394 L395 R396D390-G392 PolarHBondContact OD2-N 3.25Å; G392-T394 PolarHBondContact O-N 3.17Å; G392-L395 PolarHBondContact O-N 3.27Å; G392-R396 PolarHBondContact O-N 3.38Å
393T98.6Very high97.2Very high5 Ų536.4 Ų36.43%0.03117%0.173CC..Hα-helixtrans-60.5-42.7175.1-54.20000112L260 P261 D390 V391 L395 R396 D397L260-T393 HydrophobicContact CD2-CG2 4.16Å; P261-T393 HydrophobicContact CG-CG2 4.08Å; D390-T393 VanDerWaalsContact OD2-CB 3.26Å; D390-T393 WeakPolarHBondContact OD2-CB 3.29Å; D390-T393 PolarHBondContact OD2-N 3.09Å; D390-T393 PolarHBondContact OD2-OG1 2.85Å; V391-T393 PolarHBondContact O-N 3.16Å; T393-L395 PolarHBondContact O-N 3.21Å; T393-R396 PolarHBondContact O-N 2.88Å; T393-D397 WeakPolarHBondContact O-CB 3.49Å; T393-D397 PolarHBondContact O-N 3.5Å
394T98.8Very high96.2Very high0 Ų036.4 Ų36.40%017%0.172CC..Hα-helixtrans-63.8-41.6178.3-55.90000111.8P261 I366 I387 D390 V391 G392 L398P261-T394 HydrophobicContact CB-CG2 4.27Å; P261-T394 WeakPolarHBondContact CB-OG1 3.36Å; I366-T394 HydrophobicContact CD1-CG2 3.72Å; I366-T394 HydrophobicContact CG1-CG2 4.25Å; I366-T394 HydrophobicContact CG2-CG2 4.08Å; I387-T394 HydrophobicContact CD1-CG2 4.17Å; I387-T394 HydrophobicContact CG2-CG2 4.35Å; D390-T394 WeakPolarHBondContact O-CB 3.49Å; D390-T394 PolarHBondContact O-N 3.26Å; D390-T394 PolarHBondContact O-OG1 2.62Å; V391-T394 PolarHBondContact O-N 2.9Å; V391-T394 VanDerWaalsContact O-N 3.15Å; G392-T394 PolarHBondContact O-N 3.17Å; T394-L398 WeakPolarHBondContact O-CB 3.45Å; T394-L398 PolarHBondContact O-N 3.24Å
395L98.5Very high95Very high0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-69.7-38.6179.1-65171.6000111.9L281 I283 T297 V301 L304 V391 G392 T393 L398 S399L281-L395 HydrophobicContact CD1-CD2 4.43Å; I283-L395 HydrophobicContact CD1-CD1 3.52Å; T297-L395 HydrophobicContact CG2-CD1 3.98Å; V301-L395 HydrophobicContact CG2-CD1 3.86Å; L304-L395 HydrophobicContact CD1-CD2 3.75Å; V391-L395 HydrophobicContact CG1-CD1 3.72Å; V391-L395 HydrophobicContact CG1-CG 4.21Å; V391-L395 VanDerWaalsContact O-CG 3.3Å; V391-L395 WeakPolarHBondContact O-CG 3.18Å; V391-L395 PolarHBondContact O-N 2.94Å; G392-L395 PolarHBondContact O-N 3.27Å; T393-L395 PolarHBondContact O-N 3.21Å; L395-L398 PolarHBondContact O-N 3.35Å; L395-S399 PolarHBondContact O-N 3.45Å
396R97.6Very high93.5Very high75 Ų7535.2 Ų35.228%0.28319%0.185SC..Hα-helixtrans-57.7-56.9170.6176.6-164.976.1-1781.8111.6H300 G392 T393 L398 S399 L400H300-R396 WeakPolarHBondContact NE2-CG 3.46Å; G392-R396 PolarHBondContact O-N 3.38Å; T393-R396 PolarHBondContact O-N 2.88Å; R396-L398 PolarHBondContact O-N 2.85Å; R396-S399 PolarHBondContact O-N 3.16Å; R396-S399 VanDerWaalsContact O-N 3.12Å; R396-S399 PolarHBondContact O-OG 3.48Å; R396-L400 HydrophobicContact CG-CD1 4.2Å; R396-L400 WeakPolarHBondContact O-CG 3.49Å; R396-L400 PolarHBondContact O-N 3.47Å
397D98.3Very high92.1Very high45 Ų4540.4 Ų40.424%0.24121%0.211CC..Hα-helixtrans-62.5-33.9-176.7-70.13.6000111.3V266 T393 Q401V266-D397 HydrophobicContact CG1-CB 4.18Å; V266-D397 HydrophobicContact CG2-CB 4.07Å; T393-D397 WeakPolarHBondContact O-CB 3.49Å; T393-D397 PolarHBondContact O-N 3.5Å; D397-Q401 VanDerWaalsContact O-CB 3.26Å; D397-Q401 WeakPolarHBondContact O-CB 3.49Å; D397-Q401 PolarHBondContact O-N 2.91Å
398L98.2Very high91.5Very high1 Ų145.2 Ų45.21%0.00523%0.234CC..Hα-helixtrans-66.4-44.7173.8-177.764.5000112.5V266 L269 A270 I273 L304 T394 L395 R396 L400 Q401 L402V266-L398 HydrophobicContact CG1-CB 4.38Å; V266-L398 HydrophobicContact CG1-CD1 4.43Å; L269-L398 HydrophobicContact CB-CD1 4.09Å; L269-L398 HydrophobicContact CD2-CD1 4.21Å; L269-L398 HydrophobicContact CD2-CD2 3.67Å; L269-L398 HydrophobicContact CD2-CG 4.5Å; L269-L398 HydrophobicContact CG-CD1 3.82Å; L269-L398 HydrophobicContact CG-CD2 3.9Å; A270-L398 HydrophobicContact CB-CD1 3.95Å; I273-L398 HydrophobicContact CD1-CD1 4.1Å; I273-L398 HydrophobicContact CD1-CD2 3.75Å; I273-L398 HydrophobicContact CD1-CG 4.25Å; L304-L398 HydrophobicContact CD1-CD2 4.22Å; L304-L398 HydrophobicContact CD2-CB 4.18Å; L304-L398 HydrophobicContact CD2-CD2 3.75Å; L304-L398 HydrophobicContact CD2-CG 3.66Å; T394-L398 WeakPolarHBondContact O-CB 3.45Å; T394-L398 PolarHBondContact O-N 3.24Å; L395-L398 PolarHBondContact O-N 3.35Å; R396-L398 PolarHBondContact O-N 2.85Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.02Å; L398-Q401 PolarHBondContact O-N 3.35Å; L398-L402 HydrophobicContact CD1-CD1 4.31Å; L398-L402 HydrophobicContact CD1-CG 4.43Å; L398-L402 HydrophobicContact CG-CD1 4.15Å; L398-L402 WeakPolarHBondContact O-CG 3.4Å; L398-L402 PolarHBondContact O-N 3.24Å
399S96.3Very high91.1Very high6 Ų644.1 Ų44.14%0.04223%0.23CC..Hα-helixtrans-61.7-42.9177.41090000110.7H300 L395 R396 Q401 L402 Q403H300-S399 PolarHBondContact ND1-OG 3.4Å; L395-S399 PolarHBondContact O-N 3.45Å; R396-S399 PolarHBondContact O-N 3.16Å; R396-S399 VanDerWaalsContact O-N 3.12Å; R396-S399 PolarHBondContact O-OG 3.48Å; S399-Q401 VanDerWaalsContact C-N 3.32Å; S399-Q401 PolarHBondContact O-N 3.28Å; S399-L402 PolarHBondContact O-N 3.42Å; S399-Q403 PolarHBondContact O-N 3Å; S399-Q403 VanDerWaalsContact O-N 3.14Å
400L95.7Very high90.9Very high107 Ų10745.2 Ų45.256%0.5624%0.236SC*.Hα-helixtrans-64.6-35.2175.8-64.8175.8000112.5R396 L398 Q403R396-L400 HydrophobicContact CG-CD1 4.2Å; R396-L400 WeakPolarHBondContact O-CG 3.49Å; R396-L400 PolarHBondContact O-N 3.47Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.02Å; L400-Q403 WeakPolarHBondContact O-CG 3.2Å
401Q95.8Very high90.7Very high64 Ų6446 Ų4630%0.29924%0.241SC..Hα-helixtrans-74.7-31178.7-18059.17600113.1V266 K267 A270 R274 D397 L398 S399V266-Q401 HydrophobicContact CG1-CB 3.88Å; V266-Q401 HydrophobicContact CG1-CG 4.2Å; K267-Q401 HydrophobicContact CG-CG 4.37Å; A270-Q401 HydrophobicContact CB-CG 3.77Å; R274-Q401 PolarHBondContact NH2-O 3.49Å; D397-Q401 VanDerWaalsContact O-CB 3.26Å; D397-Q401 WeakPolarHBondContact O-CB 3.49Å; D397-Q401 PolarHBondContact O-N 2.91Å; L398-Q401 PolarHBondContact O-N 3.35Å; S399-Q401 VanDerWaalsContact C-N 3.32Å; S399-Q401 PolarHBondContact O-N 3.28Å
402L94.6Very high90.6Very high8 Ų847.7 Ų47.74%0.04225%0.253CS..Hα-helixtrans-74.2-32.4175.5-74.4170.4000111.6A270 I273 R274 L304 L398 S399 N404A270-L402 HydrophobicContact CB-CD2 3.83Å; A270-L402 HydrophobicContact CB-CG 4.23Å; I273-L402 HydrophobicContact CD1-CD1 4.05Å; I273-L402 HydrophobicContact CG2-CD1 4.27Å; I273-L402 HydrophobicContact CG2-CD2 4.31Å; R274-L402 HydrophobicContact CG-CD2 4.25Å; R274-L402 PolarHBondContact NH2-O 2.85Å; L304-L402 HydrophobicContact CD2-CD1 3.7Å; L398-L402 HydrophobicContact CD1-CD1 4.31Å; L398-L402 HydrophobicContact CD1-CG 4.43Å; L398-L402 HydrophobicContact CG-CD1 4.15Å; L398-L402 WeakPolarHBondContact O-CG 3.4Å; L398-L402 PolarHBondContact O-N 3.24Å; S399-L402 PolarHBondContact O-N 3.42Å; L402-N404 PolarHBondContact O-N 3.5Å; L402-N404 PolarHBondContact O-OD1 2.83Å
403Q84.5Confident90.5Very high165 Ų16553.2 Ų53.277%0.77128%0.282SS*.THydrogen-bonded Turntrans61.627.1-178.9-60.5-179.7-30.400113.7S399 L400S399-Q403 PolarHBondContact O-N 3Å; S399-Q403 VanDerWaalsContact O-N 3.14Å; L400-Q403 WeakPolarHBondContact O-CG 3.2Å
404N77Confident90.4Very high22 Ų2259.8 Ų59.812%0.11831%0.312CS..  trans-71.9143.1179.4-8048.1000112.2T303 L402 E408 N410T303-N404 VanDerWaalsContact CG2-O 3.24Å; T303-N404 WeakPolarHBondContact CG2-O 3.37Å; T303-N404 WeakPolarHBondContact O-CB 3.46Å; L402-N404 PolarHBondContact O-N 3.5Å; L402-N404 PolarHBondContact O-OD1 2.83Å; N404-E408 VanDerWaalsContact CA-OE2 3.29Å; N404-E408 WeakPolarHBondContact CA-OE2 3.39Å; N404-E408 HydrophobicContact CB-CB 4.14Å; N404-N410 VanDerWaalsContact ND2-CG 3.32Å; N404-N410 PolarHBondContact ND2-ND2 3.35Å; N404-N410 PolarHBondContact ND2-OD1 3.03Å
405G72.5Confident90.4Very high32 Ų3259.9 Ų59.933%0.3331%0.312SS..  trans-67.1158.3158.100000111.6N407 E408G405-N407 PolarHBondContact O-N 2.99Å; G405-N407 VanDerWaalsContact O-N 3.08Å; G405-E408 VanDerWaalsContact N-CD 3.35Å; G405-E408 PolarHBondContact N-OE2 2.56Å; G405-E408 PolarHBondContact O-N 3.4Å
406T67Low90.4Very high90 Ų9060.2 Ų60.255%0.55231%0.314SS*.THydrogen-bonded Turntrans-60.7-19.3179.246.80000114.3
407N70.8Confident90.4Very high140 Ų14060.5 Ų60.575%0.74932%0.321SS*.THydrogen-bonded Turntrans-100.2-0.8179.3-66.6-27000113.6G405G405-N407 PolarHBondContact O-N 2.99Å; G405-N407 VanDerWaalsContact O-N 3.08Å
408E85.2Confident90.4Very high102 Ų10260.9 Ų60.948%0.47732%0.323SS..  trans-86.8129.2-178-69.5177.9-165.400111.5G305 N404 G405G305-E408 WeakPolarHBondContact CA-O 3.3Å; N404-E408 VanDerWaalsContact CA-OE2 3.29Å; N404-E408 WeakPolarHBondContact CA-OE2 3.39Å; N404-E408 HydrophobicContact CB-CB 4.14Å; G405-E408 VanDerWaalsContact N-CD 3.35Å; G405-E408 PolarHBondContact N-OE2 2.56Å; G405-E408 PolarHBondContact O-N 3.4Å
409L91Very high90.4Very high64 Ų6460.9 Ų60.934%0.33532%0.323SS..  trans-91.8132.6179.7-62.6175.7000110.7L324 C411 I413 L416L324-L409 HydrophobicContact CD1-CD2 4.4Å; L324-L409 HydrophobicContact CD2-CD2 3.85Å; L409-C411 VanDerWaalsContact C-N 3.32Å; L409-I413 HydrophobicContact CD1-CG1 4.4Å; L409-L416 HydrophobicContact CD1-CD2 3.83Å; L409-L416 HydrophobicContact CD2-CD2 4.08Å
410N93.8Very high90.5Very high24 Ų2463.7 Ų63.713%0.12833%0.334CS..SBendtrans-100.737169-78.8-52.4000111I273 P279 L304 G305 L306 N404I273-N410 HydrophobicContact CG2-CB 3.56Å; P279-N410 WeakPolarHBondContact CG-O 3.15Å; L304-N410 PolarHBondContact O-ND2 3.44Å; G305-N410 PolarHBondContact O-N 2.81Å; L306-N410 HydrophobicContact CD2-CB 3.65Å; L306-N410 WeakPolarHBondContact CD2-O 3.27Å; L306-N410 HydrophobicContact CG-CB 4.45Å; N404-N410 VanDerWaalsContact ND2-CG 3.32Å; N404-N410 PolarHBondContact ND2-ND2 3.35Å; N404-N410 PolarHBondContact ND2-OD1 3.03Å
411C94.7Very high90.6Very high15 Ų1562.2 Ų62.210%0.10133%0.333CS..SBendtrans-151161.2175.567.90000109.5P279 P307 L409P279-C411 HydrophobicContact CG-CB 3.72Å; P307-C411 HydrophobicContact CG-CB 4.24Å; L409-C411 VanDerWaalsContact C-N 3.32Å
412S95.4Very high90.7Very high37 Ų3762.1 Ų62.126%0.25933%0.33SS..  trans-65.7143.7173.962.50000111.5E277 E414 W415 L416E277-S412 PolarHBondContact O-N 3.33Å; E277-S412 VanDerWaalsContact O-N 3.12Å; E277-S412 PolarHBondContact O-OG 3.33Å; S412-E414 VanDerWaalsContact C-N 3.25Å; S412-E414 PolarHBondContact O-N 3.48Å; S412-W415 PolarHBondContact O-N 3.47Å; S412-W415 WeakPolarHBondContact OG-CB 3.24Å; S412-W415 PolarHBondContact OG-N 2.8Å; S412-L416 PolarHBondContact O-N 3.37Å; S412-L416 VanDerWaalsContact O-N 3.1Å
413I96.1Very high90.8Very high115 Ų11562.7 Ų62.759%0.5933%0.332SS*.Hα-helixtrans-61.5-38.4176.5-65.6166.8000110.4L409 L416 N417L409-I413 HydrophobicContact CD1-CG1 4.4Å; I413-L416 PolarHBondContact O-N 3.06Å; I413-N417 WeakPolarHBondContact O-CB 3.24Å; I413-N417 VanDerWaalsContact O-CG 3.25Å; I413-N417 PolarHBondContact O-N 3.04Å; I413-N417 PolarHBondContact O-ND2 3.46Å
414E97.9Very high91.4Very high144 Ų14460.3 Ų60.367%0.67332%0.322SS*.Hα-helixtrans-58.6-47.5175.3-172.2-174.4167.500111.4S412 L416 N417 I418S412-E414 VanDerWaalsContact C-N 3.25Å; S412-E414 PolarHBondContact O-N 3.48Å; E414-L416 PolarHBondContact O-N 3.02Å; E414-N417 PolarHBondContact O-N 2.92Å; E414-I418 HydrophobicContact CG-CD1 4.16Å; E414-I418 WeakPolarHBondContact O-CG1 3.45Å; E414-I418 PolarHBondContact O-N 3.31Å
415W98.3Very high92.3Very high2 Ų265.4 Ų65.41%0.00834%0.343CS..Hα-helixtrans-59.3-46.2176.8177.8-127.3000112.2K278 P279 I280 A333 E336 S412 N417 I418 L419K278-W415 HydrophobicContact CB-CD2 3.9Å; K278-W415 HydrophobicContact CB-CE3 4.38Å; K278-W415 HydrophobicContact CB-CG 4.07Å; K278-W415 HydrophobicContact CB-CZ2 4.39Å; K278-W415 HydrophobicContact CD-CD2 4.44Å; K278-W415 HydrophobicContact CD-CE3 4.13Å; K278-W415 HydrophobicContact CD-CZ3 4.48Å; K278-W415 HydrophobicContact CG-CB 4.24Å; K278-W415 HydrophobicContact CG-CD2 3.98Å; K278-W415 HydrophobicContact CG-CE3 4.17Å; K278-W415 HydrophobicContact CG-CG 4.04Å; P279-W415 PolarHBondContact O-NE1 3.03Å; P279-W415 VanDerWaalsContact O-NE1 3.16Å; I280-W415 HydrophobicContact CD1-CZ2 3.75Å; I280-W415 HydrophobicContact CG1-CZ2 3.97Å; A333-W415 HydrophobicContact CB-CH2 4.45Å; E336-W415 HydrophobicContact CB-CH2 3.92Å; E336-W415 HydrophobicContact CB-CZ3 4.13Å; E336-W415 WeakPolarHBondContact OE2-CZ3 3.39Å; S412-W415 PolarHBondContact O-N 3.47Å; S412-W415 WeakPolarHBondContact OG-CB 3.24Å; S412-W415 PolarHBondContact OG-N 2.8Å; W415-N417 VanDerWaalsContact C-N 3.32Å; W415-N417 PolarHBondContact O-N 2.63Å; W415-I418 HydrophobicContact CE3-CB 4.48Å; W415-I418 HydrophobicContact CE3-CG2 4.48Å; W415-I418 HydrophobicContact CZ3-CG2 4.34Å; W415-I418 PolarHBondContact O-N 2.94Å; W415-L419 HydrophobicContact CD2-CD1 4.25Å; W415-L419 HydrophobicContact CD2-CG 4.22Å; W415-L419 HydrophobicContact CE3-CG 4.47Å; W415-L419 HydrophobicContact CH2-CD2 3.78Å; W415-L419 HydrophobicContact CH2-CG 4.35Å; W415-L419 HydrophobicContact CZ2-CD1 3.96Å; W415-L419 HydrophobicContact CZ2-CD2 3.81Å; W415-L419 HydrophobicContact CZ2-CG 4.1Å; W415-L419 HydrophobicContact CZ3-CD2 4.21Å; W415-L419 WeakPolarHBondContact O-CG 3.45Å; W415-L419 PolarHBondContact O-N 3.37Å; W415-L419 VanDerWaalsContact O-N 3.11Å
416L97.4Very high93.4Very high6 Ų666.1 Ų66.13%0.03134%0.338CS..Hα-helixtrans-60.9-42.3178.4-17762000111.9P307 L324 F326 L409 S412 I413 E414 L419 K420P307-L416 HydrophobicContact CG-CD1 4.46Å; L324-L416 HydrophobicContact CD2-CD1 3.64Å; L324-L416 HydrophobicContact CD2-CD2 4.08Å; F326-L416 HydrophobicContact CE2-CD1 4.17Å; F326-L416 HydrophobicContact CZ-CD1 3.72Å; L409-L416 HydrophobicContact CD1-CD2 3.83Å; L409-L416 HydrophobicContact CD2-CD2 4.08Å; S412-L416 PolarHBondContact O-N 3.37Å; S412-L416 VanDerWaalsContact O-N 3.1Å; I413-L416 PolarHBondContact O-N 3.06Å; E414-L416 PolarHBondContact O-N 3.02Å; L416-L419 PolarHBondContact O-N 3.38Å; L416-K420 HydrophobicContact CG-CD 4.24Å; L416-K420 WeakPolarHBondContact O-CG 3.37Å; L416-K420 PolarHBondContact O-N 3.07Å
417N98.2Very high94.7Very high82 Ų8263.6 Ų63.644%0.43932%0.321SS..Hα-helixtrans-65.7-38.1178.6-72-17.4000112.2I413 E414 W415 K420 S421I413-N417 WeakPolarHBondContact O-CB 3.24Å; I413-N417 VanDerWaalsContact O-CG 3.25Å; I413-N417 PolarHBondContact O-N 3.04Å; I413-N417 PolarHBondContact O-ND2 3.46Å; E414-N417 PolarHBondContact O-N 2.92Å; W415-N417 VanDerWaalsContact C-N 3.32Å; W415-N417 PolarHBondContact O-N 2.63Å; N417-K420 PolarHBondContact O-N 3.37Å; N417-S421 WeakPolarHBondContact O-CB 3.23Å; N417-S421 PolarHBondContact O-N 2.95Å; N417-S421 PolarHBondContact O-OG 2.79Å
418I98.4Very high96Very high53 Ų5362.3 Ų62.327%0.27231%0.311SS..Hα-helixtrans-59.5-47.2173.5-70.3164.8000110.5E414 W415 S421 R422E414-I418 HydrophobicContact CG-CD1 4.16Å; E414-I418 WeakPolarHBondContact O-CG1 3.45Å; E414-I418 PolarHBondContact O-N 3.31Å; W415-I418 HydrophobicContact CE3-CB 4.48Å; W415-I418 HydrophobicContact CE3-CG2 4.48Å; W415-I418 HydrophobicContact CZ3-CG2 4.34Å; W415-I418 PolarHBondContact O-N 2.94Å; I418-S421 PolarHBondContact O-N 2.96Å; I418-R422 VanDerWaalsContact CG2-CZ 3.47Å; I418-R422 WeakPolarHBondContact O-CG 3.43Å; I418-R422 PolarHBondContact O-N 2.69Å
419L98.4Very high96.5Very high1 Ų161.3 Ų61.31%0.00531%0.306CS..Hα-helixtrans-65.5-44.9179.6-64.6178.9000112.2I280 P307 F326 A333 W415 L416 S421 R422 E423I280-L419 HydrophobicContact CD1-CD1 3.83Å; P307-L419 HydrophobicContact CB-CD1 3.47Å; P307-L419 VanDerWaalsContact CB-CD1 3.47Å; P307-L419 HydrophobicContact CG-CD1 3.9Å; F326-L419 HydrophobicContact CD1-CB 4.04Å; F326-L419 HydrophobicContact CD2-CD1 4.48Å; F326-L419 HydrophobicContact CE1-CB 3.55Å; F326-L419 HydrophobicContact CE2-CB 4.34Å; F326-L419 HydrophobicContact CE2-CD1 4.17Å; F326-L419 HydrophobicContact CZ-CB 3.73Å; F326-L419 HydrophobicContact CZ-CD1 4.32Å; A333-L419 HydrophobicContact CB-CD2 3.71Å; W415-L419 HydrophobicContact CD2-CD1 4.25Å; W415-L419 HydrophobicContact CD2-CG 4.22Å; W415-L419 HydrophobicContact CE3-CG 4.47Å; W415-L419 HydrophobicContact CH2-CD2 3.78Å; W415-L419 HydrophobicContact CH2-CG 4.35Å; W415-L419 HydrophobicContact CZ2-CD1 3.96Å; W415-L419 HydrophobicContact CZ2-CD2 3.81Å; W415-L419 HydrophobicContact CZ2-CG 4.1Å; W415-L419 HydrophobicContact CZ3-CD2 4.21Å; W415-L419 WeakPolarHBondContact O-CG 3.45Å; W415-L419 PolarHBondContact O-N 3.37Å; W415-L419 VanDerWaalsContact O-N 3.11Å; L416-L419 PolarHBondContact O-N 3.38Å; L419-S421 VanDerWaalsContact C-N 3.34Å; L419-S421 PolarHBondContact O-N 2.89Å; L419-R422 PolarHBondContact O-N 2.9Å; L419-E423 PolarHBondContact O-N 3.14Å
420K98.1Very high96.7Very high65 Ų6558.4 Ų58.428%0.28329%0.291SS..Hα-helixtrans-59.7-43.5176.9-75.4179.2175.21800112Q323 F326 L416 N417 R422 E423 M424Q323-K420 VanDerWaalsContact O-CE 3.3Å; Q323-K420 WeakPolarHBondContact O-CE 3.36Å; F326-K420 HydrophobicContact CE1-CG 4.03Å; F326-K420 HydrophobicContact CZ-CG 4.19Å; L416-K420 HydrophobicContact CG-CD 4.24Å; L416-K420 WeakPolarHBondContact O-CG 3.37Å; L416-K420 PolarHBondContact O-N 3.07Å; N417-K420 PolarHBondContact O-N 3.37Å; K420-R422 VanDerWaalsContact C-N 3.27Å; K420-R422 PolarHBondContact O-N 2.84Å; K420-E423 PolarHBondContact O-N 3.28Å; K420-M424 WeakPolarHBondContact O-CG 3.38Å; K420-M424 PolarHBondContact O-N 3.38Å
421S98.2Very high96.7Very high75 Ų7562.4 Ų62.452%0.52431%0.307SS..Hα-helixtrans-61-37.9178.2-56.90000111.8N417 I418 L419 K425N417-S421 WeakPolarHBondContact O-CB 3.23Å; N417-S421 PolarHBondContact O-N 2.95Å; N417-S421 PolarHBondContact O-OG 2.79Å; I418-S421 PolarHBondContact O-N 2.96Å; L419-S421 VanDerWaalsContact C-N 3.34Å; L419-S421 PolarHBondContact O-N 2.89Å; S421-K425 VanDerWaalsContact O-CB 3.29Å; S421-K425 WeakPolarHBondContact O-CB 3.23Å; S421-K425 PolarHBondContact O-N 3.17Å
422R97.3Very high96.8Very high62 Ų6267 Ų6723%0.23433%0.33CS..Hα-helixtrans-69-41.3176-69.3165.7176.5174.8-3.4112.6A329 E336 I418 L419 K420 H426A329-R422 HydrophobicContact CB-CB 3.97Å; A329-R422 HydrophobicContact CB-CG 4.46Å; E336-R422 IonicContact OE1-CZ 3.73Å; E336-R422 IonicContact OE1-NH1 3.8Å; E336-R422 IonicContact OE1-NH2 2.81Å; E336-R422 PolarHBondContact OE1-NH2 3.08Å; E336-R422 IonicContact OE2-CZ 3.23Å; E336-R422 VanDerWaalsContact OE2-CZ 3.23Å; E336-R422 IonicContact OE2-NH1 2.73Å; E336-R422 PolarHBondContact OE2-NH1 3.08Å; E336-R422 IonicContact OE2-NH2 2.83Å; E336-R422 PolarHBondContact OE2-NH2 3.27Å; I418-R422 VanDerWaalsContact CG2-CZ 3.47Å; I418-R422 WeakPolarHBondContact O-CG 3.43Å; I418-R422 PolarHBondContact O-N 2.69Å; L419-R422 PolarHBondContact O-N 2.9Å; K420-R422 VanDerWaalsContact C-N 3.27Å; K420-R422 PolarHBondContact O-N 2.84Å; R422-H426 PolarHBondContact O-N 3.21Å; R422-H426 VanDerWaalsContact O-N 3.16Å
423E96.5Very high96.8Very high20 Ų2067.2 Ų67.29%0.09333%0.332CS..Hα-helixtrans-63.1-48.2176.8-172.578.4-167.500110.7F326 R327 H328 L419 K420 H426 D427F326-E423 HydrophobicContact CD1-CB 4.25Å; R327-E423 IonicContact CZ-OE1 2.96Å; R327-E423 PolarHBondContact N-OE2 2.52Å; R327-E423 IonicContact NE-OE1 2.82Å; R327-E423 PolarHBondContact NE-OE1 3.28Å; R327-E423 VanDerWaalsContact NE-OE1 3.08Å; R327-E423 IonicContact NH2-OE1 2.76Å; R327-E423 PolarHBondContact NH2-OE1 3.37Å; H328-E423 WeakPolarHBondContact CB-OE2 3.06Å; H328-E423 VanDerWaalsContact CD2-CD 3.49Å; H328-E423 IonicContact CD2-OE1 3.03Å; H328-E423 PolarHBondContact CD2-OE1 3.36Å; H328-E423 IonicContact CD2-OE2 3.32Å; H328-E423 IonicContact CG-OE1 3.89Å; H328-E423 IonicContact CG-OE2 3.24Å; H328-E423 PolarHBondContact N-OE2 3.02Å; H328-E423 IonicContact NE2-OE1 3.12Å; L419-E423 PolarHBondContact O-N 3.14Å; K420-E423 PolarHBondContact O-N 3.28Å; E423-H426 PolarHBondContact O-N 3.26Å; E423-D427 PolarHBondContact O-N 2.93Å
424M96.6Very high96.7Very high116 Ų11662.2 Ų62.257%0.57131%0.307SS*.Hα-helixtrans-59.9-49177.9-71.517462.600111.9K420 H426 D427 E428K420-M424 WeakPolarHBondContact O-CG 3.38Å; K420-M424 PolarHBondContact O-N 3.38Å; M424-H426 VanDerWaalsContact C-N 3.29Å; M424-H426 PolarHBondContact O-N 2.99Å; M424-D427 PolarHBondContact O-N 3.28Å; M424-E428 WeakPolarHBondContact O-CG 3.5Å; M424-E428 PolarHBondContact O-N 2.86Å
425K97.6Very high96.4Very high128 Ų12861.9 Ų61.956%0.55731%0.305SS*.Hα-helixtrans-55.1-45.8178.5-176.6-174.2179.5-165.50111.7S421 E428 E429S421-K425 VanDerWaalsContact O-CB 3.29Å; S421-K425 WeakPolarHBondContact O-CB 3.23Å; S421-K425 PolarHBondContact O-N 3.17Å; K425-E428 WeakPolarHBondContact O-CB 3.29Å; K425-E428 PolarHBondContact O-N 3.05Å; K425-E429 WeakPolarHBondContact CE-OE1 3.32Å; K425-E429 IonicContact NZ-OE1 3.86Å; K425-E429 WeakPolarHBondContact O-CG 3.04Å; K425-E429 PolarHBondContact O-N 3.33Å
426H95.1Very high96.1Very high47 Ų4766.2 Ų66.222%0.21833%0.332CS..Hα-helixtrans-74-33.5-177.8-162.964.9000112.8H328 R422 E423 M424 E428 E429 I430 Y479H328-H426 HydrophobicContact CB-CB 3.94Å; H328-H426 AromaticContact CD2-CD2 3.62Å; H328-H426 AromaticContact CE1-CD2 3.52Å; H328-H426 AromaticContact CG-CD2 3.38Å; H328-H426 AromaticContact CG-CG 3.97Å; H328-H426 AromaticContact ND1-CD2 3.35Å; H328-H426 PolarHBondContact ND1-CD2 2.96Å; H328-H426 AromaticContact NE2-CD2 3.67Å; R422-H426 PolarHBondContact O-N 3.21Å; R422-H426 VanDerWaalsContact O-N 3.16Å; E423-H426 PolarHBondContact O-N 3.26Å; M424-H426 VanDerWaalsContact C-N 3.29Å; M424-H426 PolarHBondContact O-N 2.99Å; H426-E428 VanDerWaalsContact C-N 3.3Å; H426-E428 PolarHBondContact O-N 3.41Å; H426-E429 IonicContact CE1-OE2 2.96Å; H426-E429 IonicContact CG-OE2 3.1Å; H426-E429 IonicContact ND1-OE2 2.83Å; H426-E429 PolarHBondContact ND1-OE2 2.89Å; H426-E429 PolarHBondContact O-N 3.18Å; H426-I430 VanDerWaalsContact O-CG1 3.31Å; H426-I430 WeakPolarHBondContact O-CG1 3.26Å; H426-I430 PolarHBondContact O-N 3.36Å; H426-Y479 AromaticContact NE2-CD1 3.9Å
427D94.5Very high95.7Very high37 Ų3773.2 Ų73.220%0.19836%0.364CS..Hα-helixtrans-63.3-36.4170.8-83.5-18.9000111.8R327 H328 E423 M424 K431 R482R327-D427 IonicContact CZ-OD1 3.08Å; R327-D427 IonicContact NH2-OD1 3.79Å; R327-D427 PolarHBondContact NH2-OD1 3.44Å; R327-D427 IonicContact NH2-OD2 2.65Å; R327-D427 PolarHBondContact NH2-OD2 2.87Å; H328-D427 IonicContact CD2-OD1 3.56Å; H328-D427 IonicContact CE1-OD1 3.86Å; H328-D427 IonicContact NE2-OD1 3.37Å; H328-D427 PolarHBondContact NE2-OD1 3.27Å; E423-D427 PolarHBondContact O-N 2.93Å; M424-D427 PolarHBondContact O-N 3.28Å; D427-K431 WeakPolarHBondContact O-CB 3.37Å; D427-K431 PolarHBondContact O-N 3.45Å; D427-R482 IonicContact OD1-NH2 3.07Å; D427-R482 PolarHBondContact OD1-NH2 3.27Å; D427-R482 VanDerWaalsContact OD1-NH2 3.13Å; D427-R482 IonicContact OD2-CZ 2.71Å; D427-R482 IonicContact OD2-NH1 2.68Å; D427-R482 IonicContact OD2-NH2 2.78Å; D427-R482 PolarHBondContact OD2-NH2 3.45Å
428E96.5Very high95.2Very high114 Ų11469.8 Ų69.853%0.53335%0.348SS..Hα-helixtrans-66.6-44.7173.1-72.4172174.900112.2M424 K425 H426 I430 K431 L432M424-E428 WeakPolarHBondContact O-CG 3.5Å; M424-E428 PolarHBondContact O-N 2.86Å; K425-E428 WeakPolarHBondContact O-CB 3.29Å; K425-E428 PolarHBondContact O-N 3.05Å; H426-E428 VanDerWaalsContact C-N 3.3Å; H426-E428 PolarHBondContact O-N 3.41Å; E428-I430 VanDerWaalsContact C-N 3.31Å; E428-I430 PolarHBondContact O-N 3.26Å; E428-K431 WeakPolarHBondContact O-CB 3.48Å; E428-K431 PolarHBondContact O-N 2.98Å; E428-L432 WeakPolarHBondContact O-CG 3.12Å; E428-L432 PolarHBondContact O-N 3.35Å
429E95.8Very high94.8Very high81 Ų8171.5 Ų71.538%0.37937%0.37SS..Hα-helixtrans-57.3-44.1174.3-73.4167.5178.900111.6K425 H426 S433K425-E429 WeakPolarHBondContact CE-OE1 3.32Å; K425-E429 IonicContact NZ-OE1 3.86Å; K425-E429 WeakPolarHBondContact O-CG 3.04Å; K425-E429 PolarHBondContact O-N 3.33Å; H426-E429 IonicContact CE1-OE2 2.96Å; H426-E429 IonicContact CG-OE2 3.1Å; H426-E429 IonicContact ND1-OE2 2.83Å; H426-E429 PolarHBondContact ND1-OE2 2.89Å; H426-E429 PolarHBondContact O-N 3.18Å; E429-S433 WeakPolarHBondContact O-CB 3.43Å; E429-S433 PolarHBondContact O-N 3.24Å; E429-S433 PolarHBondContact O-OG 3.42Å
430I95.3Very high94.4Very high3 Ų374.3 Ų74.32%0.01540%0.399CS..Hα-helixtrans-61.3-49.5174.6-73.3169.5000110.2H426 E428 L432 S433 C434 W449 I480 F644H426-I430 VanDerWaalsContact O-CG1 3.31Å; H426-I430 WeakPolarHBondContact O-CG1 3.26Å; H426-I430 PolarHBondContact O-N 3.36Å; E428-I430 VanDerWaalsContact C-N 3.31Å; E428-I430 PolarHBondContact O-N 3.26Å; I430-L432 VanDerWaalsContact C-N 3.31Å; I430-L432 PolarHBondContact O-N 3.33Å; I430-S433 CarbonylContact O-C 3.59Å; I430-S433 WeakPolarHBondContact O-CA 3.36Å; I430-S433 WeakPolarHBondContact O-CB 3.45Å; I430-S433 PolarHBondContact O-N 3.04Å; I430-C434 PolarHBondContact O-N 2.88Å; I430-C434 PolarHBondContact O-SG 2.81Å; I430-W449 HydrophobicContact CG2-CE3 4.3Å; I430-W449 HydrophobicContact CG2-CZ3 4.3Å; I430-I480 HydrophobicContact CG2-CD1 4.07Å; I430-I480 HydrophobicContact CG2-CG1 3.78Å; I430-F644 HydrophobicContact CD1-CZ 4.22Å; I430-F644 HydrophobicContact CG1-CE2 3.86Å; I430-F644 HydrophobicContact CG1-CZ 3.8Å
431K95.5Very high94.4Very high108 Ų10872.8 Ų72.847%0.4739%0.393SS..Hα-helixtrans-56.7-44.2-179.2-178.6-178.4175.6-174.50112D427 E428 C434 W449D427-K431 WeakPolarHBondContact O-CB 3.37Å; D427-K431 PolarHBondContact O-N 3.45Å; E428-K431 WeakPolarHBondContact O-CB 3.48Å; E428-K431 PolarHBondContact O-N 2.98Å; K431-C434 WeakPolarHBondContact O-CB 3.26Å; K431-C434 PolarHBondContact O-N 3.39Å; K431-W449 HydrophobicContact CB-CH2 3.66Å; K431-W449 HydrophobicContact CB-CZ2 4.35Å; K431-W449 HydrophobicContact CB-CZ3 3.83Å; K431-W449 HydrophobicContact CD-CH2 4.06Å; K431-W449 HydrophobicContact CD-CZ2 4.22Å; K431-W449 HydrophobicContact CG-CH2 3.69Å; K431-W449 HydrophobicContact CG-CZ2 3.88Å; K431-W449 HydrophobicContact CG-CZ3 4.27Å
432L96Very high94.3Very high110 Ų11069.3 Ų69.358%0.57637%0.369SS*.Hα-helixtrans-64.9-42.7175.8-67.9171.9000111.2E428 I430 C434 Q435E428-L432 WeakPolarHBondContact O-CG 3.12Å; E428-L432 PolarHBondContact O-N 3.35Å; I430-L432 VanDerWaalsContact C-N 3.31Å; I430-L432 PolarHBondContact O-N 3.33Å; L432-C434 PolarHBondContact O-N 2.83Å; L432-Q435 WeakPolarHBondContact O-CB 3.47Å; L432-Q435 PolarHBondContact O-N 2.93Å
433S94.7Very high94.3Very high43 Ų4367 Ų6730%0.30136%0.361SS..Hα-helixtrans-63-29.3177.3-56.50000112.8E429 I430 Q435 V436 N443E429-S433 WeakPolarHBondContact O-CB 3.43Å; E429-S433 PolarHBondContact O-N 3.24Å; E429-S433 PolarHBondContact O-OG 3.42Å; I430-S433 CarbonylContact O-C 3.59Å; I430-S433 WeakPolarHBondContact O-CA 3.36Å; I430-S433 WeakPolarHBondContact O-CB 3.45Å; I430-S433 PolarHBondContact O-N 3.04Å; S433-Q435 PolarHBondContact O-N 3.09Å; S433-V436 PolarHBondContact O-N 3.1Å; S433-N443 PolarHBondContact O-ND2 3.19Å
434C93.8Very high94.3Very high10 Ų1066.3 Ų66.37%0.06836%0.358CS..THydrogen-bonded Turntrans-69.6-15.1173.6-62.50000114I430 K431 L432 L445 S446 W449I430-C434 PolarHBondContact O-N 2.88Å; I430-C434 PolarHBondContact O-SG 2.81Å; K431-C434 WeakPolarHBondContact O-CB 3.26Å; K431-C434 PolarHBondContact O-N 3.39Å; L432-C434 PolarHBondContact O-N 2.83Å; C434-L445 HydrophobicContact CB-CB 4.37Å; C434-L445 PolarHBondContact SG-O 2.76Å; C434-S446 PolarHBondContact O-OG 2.85Å; C434-W449 HydrophobicContact CB-CB 4.16Å; C434-W449 HydrophobicContact CB-CD2 4.49Å; C434-W449 HydrophobicContact CB-CG 4.3Å
435Q91.5Very high94.3Very high137 Ų13760.9 Ų60.964%0.6433%0.331SS*.THydrogen-bonded Turntrans-93.8-11.4-179.9-63.9174.8-13.600112.6L432 S433L432-Q435 WeakPolarHBondContact O-CB 3.47Å; L432-Q435 PolarHBondContact O-N 2.93Å; S433-Q435 PolarHBondContact O-N 3.09Å
436V92.1Very high94.3Very high92 Ų9255.5 Ų55.556%0.55831%0.31SS*.SBendtrans-69.8133.8175.8-178.20000109.4S433 N443S433-V436 PolarHBondContact O-N 3.1Å; V436-N443 WeakPolarHBondContact O-CB 3.1Å; V436-N443 PolarHBondContact O-ND2 2.88Å
437E89.8Confident94.4Very high154 Ų15453.3 Ų53.372%0.7230%0.3SS*.PPolyproline II helixtrans-71.4134.7178.1-161.9-177.6166.300111.2K610E437-K610 IonicContact OE1-NZ 3.87Å; E437-K610 PolarHBondContact OE1-NZ 3.19Å
438G87.9Confident94.6Very high10 Ų1051.5 Ų51.510%0.10329%0.29CS..PPolyproline II helixtrans-74.8144.6173.800000112.1G440 H441 K610G438-G440 PolarHBondContact O-N 3.19Å; G438-H441 CarbonylContact C-O 3.57Å; G438-H441 WeakPolarHBondContact CA-O 3.37Å; G438-K610 WeakPolarHBondContact O-CE 3.4Å; G438-K610 PolarHBondContact O-NZ 3.43Å
439A88.8Confident94.6Very high88 Ų8849 Ų4973%0.72728%0.276SS*.SBendtrans-73.2119.3173.700000110.3H441 A640A439-H441 PolarHBondContact O-N 3.21Å; A439-A640 VanDerWaalsContact O-CB 3.26Å; A439-A640 WeakPolarHBondContact O-CB 3.4Å
440G92Very high94.7Very high60 Ų6047.5 Ų47.562%0.61927%0.268SS*.SBendtrans75.1-59.5-178.200000113.8G438 K610G438-G440 PolarHBondContact O-N 3.19Å; G440-K610 WeakPolarHBondContact O-CE 3.35Å
441H96.6Very high94.8Very high33 Ų3347.4 Ų47.415%0.15327%0.268CS..SBendtrans-115.9-173.6-175-63.1-62.4000112.7G438 A439 Y574 D609 K610 L638G438-H441 CarbonylContact C-O 3.57Å; G438-H441 WeakPolarHBondContact CA-O 3.37Å; A439-H441 PolarHBondContact O-N 3.21Å; H441-Y574 AromaticContact CD2-CE1 3.81Å; H441-Y574 AromaticContact CD2-CZ 3.51Å; H441-Y574 PolarHBondContact CD2-OH 3.02Å; H441-Y574 VanDerWaalsContact CD2-OH 3.26Å; H441-Y574 AromaticContact NE2-CE1 3.78Å; H441-Y574 AromaticContact NE2-CE2 3.62Å; H441-Y574 AromaticContact NE2-CZ 3.33Å; H441-Y574 VanDerWaalsContact NE2-CZ 3.33Å; H441-Y574 PolarHBondContact NE2-OH 3.21Å; H441-D609 IonicContact CE1-OD2 2.84Å; H441-D609 IonicContact CG-OD1 2.79Å; H441-D609 IonicContact ND1-OD1 3.65Å; H441-D609 PolarHBondContact ND1-OD1 2.9Å; H441-D609 VanDerWaalsContact ND1-OD1 3.08Å; H441-D609 IonicContact ND1-OD2 3.83Å; H441-D609 PolarHBondContact ND1-OD2 2.66Å; H441-D609 VanDerWaalsContact ND1-OD2 3.07Å; H441-K610 WeakPolarHBondContact O-CE 3.14Å; H441-L638 HydrophobicContact CB-CB 4.23Å
442N97.1Very high94.9Very high3 Ų342.4 Ų42.42%0.01625%0.246CC..BIsolated β-bridgetrans-61.8143.5-178.8-60.8-55.3000112.4P444 V447 V608 D609 K610 L613 L638 I639 A640N442-P444 WeakPolarHBondContact O-CD 2.96Å; N442-V447 HydrophobicContact CB-CG2 3.92Å; N442-V608 PolarHBondContact ND2-O 2.94Å; N442-V608 VanDerWaalsContact ND2-O 3.08Å; N442-D609 VanDerWaalsContact ND2-CA 3.32Å; N442-D609 WeakPolarHBondContact ND2-CA 3.12Å; N442-K610 VanDerWaalsContact OD1-CA 3.3Å; N442-K610 WeakPolarHBondContact OD1-CA 3.3Å; N442-K610 PolarHBondContact OD1-N 3.36Å; N442-L613 HydrophobicContact CB-CD2 4.37Å; N442-L613 WeakPolarHBondContact OD1-CB 3.49Å; N442-L613 WeakPolarHBondContact OD1-CD2 3.07Å; N442-L638 VanDerWaalsContact CB-O 3.27Å; N442-L638 WeakPolarHBondContact CB-O 3.48Å; N442-L638 PolarHBondContact N-O 3.24Å; N442-L638 PolarHBondContact ND2-O 3.47Å; N442-I639 HydrophobicContact CB-CG2 4.28Å; N442-I639 CarbonylContact O-C 3.51Å; N442-I639 VanDerWaalsContact O-CA 3.24Å; N442-I639 WeakPolarHBondContact O-CA 3.39Å; N442-A640 PolarHBondContact O-N 2.93Å
443N96.6Very high94.9Very high13 Ų1340.4 Ų40.47%0.0723%0.234CC..  trans-66.3124.3164.2170.3-0.2000108.9S433 V436 L445 S446 V447S433-N443 PolarHBondContact O-ND2 3.19Å; V436-N443 WeakPolarHBondContact O-CB 3.1Å; V436-N443 PolarHBondContact O-ND2 2.88Å; N443-L445 PolarHBondContact O-N 2.81Å; N443-L445 WeakPolarHBondContact OD1-CB 3.4Å; N443-L445 PolarHBondContact OD1-N 2.97Å; N443-S446 WeakPolarHBondContact CB-OG 3.49Å; N443-S446 WeakPolarHBondContact O-CB 3.24Å; N443-S446 PolarHBondContact O-N 2.78Å; N443-V447 PolarHBondContact O-N 2.92Å
444P97Very high94.9Very high5 Ų544 Ų443%0.03224%0.242CC..Hα-helixtrans-58.6-32.4-178.221.6-32.9000112.8N442 V447 L448 F473 I639 A640N442-P444 WeakPolarHBondContact O-CD 2.96Å; P444-V447 PolarHBondContact O-N 3.07Å; P444-L448 WeakPolarHBondContact O-CG 3.31Å; P444-L448 PolarHBondContact O-N 3.42Å; P444-F473 HydrophobicContact CB-CD2 3.74Å; P444-F473 HydrophobicContact CB-CE2 4.04Å; P444-I639 HydrophobicContact CB-CB 4.18Å; P444-I639 HydrophobicContact CB-CD1 3.95Å; P444-I639 HydrophobicContact CB-CG2 4.16Å; P444-A640 WeakPolarHBondContact CD-O 3.49Å
445L97.3Very high95.1Very high2 Ų243.7 Ų43.71%0.0124%0.239CC..Hα-helixtrans-68-35.8177.7-52.4-177.2000111.7C434 N443 V447 L448 W449 I480 F644C434-L445 HydrophobicContact CB-CB 4.37Å; C434-L445 PolarHBondContact SG-O 2.76Å; N443-L445 PolarHBondContact O-N 2.81Å; N443-L445 WeakPolarHBondContact OD1-CB 3.4Å; N443-L445 PolarHBondContact OD1-N 2.97Å; L445-V447 VanDerWaalsContact C-N 3.33Å; L445-V447 PolarHBondContact O-N 3.34Å; L445-L448 PolarHBondContact O-N 2.98Å; L445-W449 WeakPolarHBondContact O-CB 3.35Å; L445-W449 PolarHBondContact O-N 3.47Å; L445-I480 HydrophobicContact CB-CD1 4.17Å; L445-I480 HydrophobicContact CD2-CD1 3.78Å; L445-F644 HydrophobicContact CD1-CB 3.93Å; L445-F644 HydrophobicContact CD1-CD1 4.41Å; L445-F644 HydrophobicContact CD1-CD2 3.66Å; L445-F644 HydrophobicContact CD1-CE2 4.3Å; L445-F644 HydrophobicContact CD1-CG 3.73Å; L445-F644 HydrophobicContact CD2-CB 4.11Å; L445-F644 HydrophobicContact CD2-CD1 3.56Å; L445-F644 HydrophobicContact CD2-CD2 4.3Å; L445-F644 HydrophobicContact CD2-CE1 4.04Å; L445-F644 HydrophobicContact CD2-CG 3.72Å; L445-F644 HydrophobicContact CG-CB 4.39Å; L445-F644 HydrophobicContact CG-CG 4.29Å
446S96.9Very high95.3Very high16 Ų1637.5 Ų37.511%0.11221%0.211CC..Hα-helixtrans-63.4-40.4175.5-45.50000111.5C434 N443 K450C434-S446 PolarHBondContact O-OG 2.85Å; N443-S446 WeakPolarHBondContact CB-OG 3.49Å; N443-S446 WeakPolarHBondContact O-CB 3.24Å; N443-S446 PolarHBondContact O-N 2.78Å; S446-K450 WeakPolarHBondContact O-CB 3.16Å; S446-K450 WeakPolarHBondContact O-CG 3.42Å; S446-K450 PolarHBondContact O-N 3.26Å
447V97.7Very high95.5Very high0 Ų033.8 Ų33.80%019%0.189CC..Hα-helixtrans-63.2-50.3175.4179.20000110.4N442 N443 P444 L445 W449 K450 L451 F473 L613 I616 C637 I639N442-V447 HydrophobicContact CB-CG2 3.92Å; N443-V447 PolarHBondContact O-N 2.92Å; P444-V447 PolarHBondContact O-N 3.07Å; L445-V447 VanDerWaalsContact C-N 3.33Å; L445-V447 PolarHBondContact O-N 3.34Å; V447-W449 VanDerWaalsContact C-N 3.34Å; V447-W449 PolarHBondContact O-N 3.29Å; V447-K450 PolarHBondContact O-N 3.08Å; V447-L451 PolarHBondContact O-N 2.71Å; V447-F473 HydrophobicContact CB-CE2 4.28Å; V447-F473 HydrophobicContact CB-CZ 4.37Å; V447-F473 HydrophobicContact CG1-CE2 4.3Å; V447-F473 HydrophobicContact CG1-CZ 3.9Å; V447-L613 HydrophobicContact CG2-CD1 4Å; V447-I616 HydrophobicContact CG1-CD1 4.16Å; V447-C637 HydrophobicContact CG1-CB 4.1Å; V447-C637 HydrophobicContact CG2-CB 4.38Å; V447-I639 HydrophobicContact CG2-CG2 4.05Å
448L98Very high95.5Very high0 Ų031.2 Ų31.20%018%0.184CC..Hα-helixtrans-64.8-37.5180-69.1167.8000112.6P444 L445 L451 E452 F473 A477 I480 V481 I520P444-L448 WeakPolarHBondContact O-CG 3.31Å; P444-L448 PolarHBondContact O-N 3.42Å; L445-L448 PolarHBondContact O-N 2.98Å; L448-L451 PolarHBondContact O-N 2.75Å; L448-E452 WeakPolarHBondContact O-CB 3.4Å; L448-E452 PolarHBondContact O-N 2.92Å; L448-F473 HydrophobicContact CD1-CD2 4.08Å; L448-F473 HydrophobicContact CD1-CE2 3.91Å; L448-F473 HydrophobicContact CD1-CZ 4.49Å; L448-F473 HydrophobicContact CD2-CD2 4.43Å; L448-F473 HydrophobicContact CD2-CE1 3.92Å; L448-F473 HydrophobicContact CD2-CE2 3.8Å; L448-F473 HydrophobicContact CD2-CZ 3.51Å; L448-F473 HydrophobicContact CG-CD2 4.19Å; L448-F473 HydrophobicContact CG-CE2 3.53Å; L448-F473 HydrophobicContact CG-CZ 3.75Å; L448-A477 HydrophobicContact CD1-CB 4.14Å; L448-A477 HydrophobicContact CD2-CB 3.51Å; L448-A477 HydrophobicContact CG-CB 4.44Å; L448-I480 HydrophobicContact CB-CB 4.34Å; L448-I480 HydrophobicContact CB-CD1 3.8Å; L448-I480 HydrophobicContact CB-CG2 4.22Å; L448-I480 HydrophobicContact CD1-CD1 4.15Å; L448-V481 HydrophobicContact CD2-CG1 4.28Å; L448-I520 HydrophobicContact CD2-CG2 4.39Å
449W96.8Very high95.6Very high62 Ų6234.5 Ų34.524%0.23520%0.199CC..Hα-helixtrans-62.2-44.6175-177.9-87.8000111.2I430 K431 C434 L445 V447 E452 H453I430-W449 HydrophobicContact CG2-CE3 4.3Å; I430-W449 HydrophobicContact CG2-CZ3 4.3Å; K431-W449 HydrophobicContact CB-CH2 3.66Å; K431-W449 HydrophobicContact CB-CZ2 4.35Å; K431-W449 HydrophobicContact CB-CZ3 3.83Å; K431-W449 HydrophobicContact CD-CH2 4.06Å; K431-W449 HydrophobicContact CD-CZ2 4.22Å; K431-W449 HydrophobicContact CG-CH2 3.69Å; K431-W449 HydrophobicContact CG-CZ2 3.88Å; K431-W449 HydrophobicContact CG-CZ3 4.27Å; C434-W449 HydrophobicContact CB-CB 4.16Å; C434-W449 HydrophobicContact CB-CD2 4.49Å; C434-W449 HydrophobicContact CB-CG 4.3Å; L445-W449 WeakPolarHBondContact O-CB 3.35Å; L445-W449 PolarHBondContact O-N 3.47Å; V447-W449 VanDerWaalsContact C-N 3.34Å; V447-W449 PolarHBondContact O-N 3.29Å; W449-E452 PolarHBondContact O-N 3.25Å; W449-H453 AromaticContact CD1-ND1 3.89Å; W449-H453 AromaticContact CD2-CE1 3.63Å; W449-H453 AromaticContact CD2-ND1 3.69Å; W449-H453 AromaticContact CE2-CE1 3.41Å; W449-H453 VanDerWaalsContact CE2-CE1 3.41Å; W449-H453 AromaticContact CE2-ND1 3.53Å; W449-H453 AromaticContact CE3-CE1 3.81Å; W449-H453 AromaticContact CG-ND1 3.92Å; W449-H453 AromaticContact CH2-CE1 3.62Å; W449-H453 AromaticContact CZ2-CE1 3.42Å; W449-H453 VanDerWaalsContact CZ2-CE1 3.42Å; W449-H453 WeakPolarHBondContact CZ2-CE1 3.32Å; W449-H453 AromaticContact CZ2-ND1 3.98Å; W449-H453 AromaticContact CZ2-NE2 3.81Å; W449-H453 AromaticContact CZ3-CE1 3.82Å; W449-H453 AromaticContact NE1-CE1 3.99Å; W449-H453 AromaticContact NE1-ND1 3.65Å; W449-H453 PolarHBondContact O-N 2.85Å; W449-H453 VanDerWaalsContact O-N 3.08Å; W449-H453 PolarHBondContact O-ND1 2.84Å
450K97.3Very high95.5Very high49 Ų4933.8 Ų33.821%0.21319%0.189CC..Hα-helixtrans-67.9-38.2176.5-71.5176.2-178.9-98.80111.8S446 V447 H453 Y454 G455 L613 I616 F620S446-K450 WeakPolarHBondContact O-CB 3.16Å; S446-K450 WeakPolarHBondContact O-CG 3.42Å; S446-K450 PolarHBondContact O-N 3.26Å; V447-K450 PolarHBondContact O-N 3.08Å; K450-H453 PolarHBondContact O-N 3.28Å; K450-Y454 HydrophobicContact CB-CD2 4.05Å; K450-Y454 HydrophobicContact CG-CD2 4.12Å; K450-Y454 HydrophobicContact CG-CE2 4.26Å; K450-Y454 WeakPolarHBondContact O-CA 3.27Å; K450-Y454 WeakPolarHBondContact O-CB 3.3Å; K450-Y454 PolarHBondContact O-N 3.08Å; K450-G455 PolarHBondContact O-N 3.17Å; K450-L613 HydrophobicContact CD-CD1 3.98Å; K450-L613 HydrophobicContact CD-CG 4.35Å; K450-L613 PolarHBondContact NZ-O 3.24Å; K450-I616 HydrophobicContact CB-CG2 4.03Å; K450-I616 HydrophobicContact CD-CG2 3.4Å; K450-I616 VanDerWaalsContact CD-CG2 3.4Å; K450-I616 HydrophobicContact CG-CG2 4.31Å; K450-F620 HydrophobicContact CB-CE2 4.32Å
451L98Very high95.4Very high1 Ų135.4 Ų35.41%0.00519%0.19CC..Iπ-helixtrans-59.6-46.6172.5177.160.6000111.3V447 L448 H453 G455 L456 V481 W518 I520 V546 F620V447-L451 PolarHBondContact O-N 2.71Å; L448-L451 PolarHBondContact O-N 2.75Å; L451-H453 PolarHBondContact O-N 2.87Å; L451-G455 CarbonylContact O-C 3.24Å; L451-G455 WeakPolarHBondContact O-CA 3.4Å; L451-G455 PolarHBondContact O-N 3.04Å; L451-G455 VanDerWaalsContact O-N 3.09Å; L451-L456 HydrophobicContact CD1-CG 4.16Å; L451-L456 HydrophobicContact CG-CD1 4.15Å; L451-L456 HydrophobicContact CG-CG 4.3Å; L451-L456 PolarHBondContact O-N 3.4Å; L451-V481 HydrophobicContact CD2-CG1 4.47Å; L451-W518 HydrophobicContact CD1-CD2 4.33Å; L451-W518 HydrophobicContact CD1-CE3 3.8Å; L451-W518 HydrophobicContact CD1-CH2 4.38Å; L451-W518 HydrophobicContact CD1-CZ3 3.83Å; L451-I520 HydrophobicContact CD2-CD1 3.76Å; L451-I520 HydrophobicContact CD2-CG1 4.01Å; L451-V546 HydrophobicContact CD1-CG2 4.43Å; L451-F620 HydrophobicContact CB-CE2 4.23Å; L451-F620 HydrophobicContact CB-CZ 4.01Å; L451-F620 HydrophobicContact CD1-CE1 4.23Å; L451-F620 HydrophobicContact CD1-CE2 4.49Å; L451-F620 HydrophobicContact CD1-CZ 4.09Å
452E97.1Very high95.2Very high3 Ų339 Ų391%0.01421%0.207CC..Iπ-helixtrans-63.6-37.918017255.9-159.100113.4R320 L448 W449 I480 V481 R482 R484R320-E452 IonicContact CZ-OE1 2.64Å; R320-E452 IonicContact NE-OE1 3.44Å; R320-E452 PolarHBondContact NE-OE1 3.12Å; R320-E452 IonicContact NH2-OE1 2.62Å; R320-E452 PolarHBondContact NH2-OE1 3.45Å; L448-E452 WeakPolarHBondContact O-CB 3.4Å; L448-E452 PolarHBondContact O-N 2.92Å; W449-E452 PolarHBondContact O-N 3.25Å; E452-I480 HydrophobicContact CB-CG2 4.08Å; E452-I480 HydrophobicContact CG-CG2 4.49Å; E452-V481 HydrophobicContact CB-CG1 4.43Å; E452-V481 WeakPolarHBondContact OE2-CA 3.48Å; E452-R482 PolarHBondContact OE2-N 3.11Å; E452-R484 PolarHBondContact O-NH2 3.47Å; E452-R484 IonicContact OE1-CZ 3.5Å; E452-R484 IonicContact OE1-NH1 3.04Å; E452-R484 IonicContact OE1-NH2 3.73Å; E452-R484 IonicContact OE2-CZ 3.25Å; E452-R484 IonicContact OE2-NH1 2.78Å; E452-R484 PolarHBondContact OE2-NH1 2.86Å; E452-R484 IonicContact OE2-NH2 3.91Å
453H95.6Very high95.1Very high68 Ų6840.9 Ų40.932%0.31522%0.217SC..Iπ-helixtrans-100.2-22.5-172-67.487.8000114.9W449 K450 L451W449-H453 AromaticContact CD1-ND1 3.89Å; W449-H453 AromaticContact CD2-CE1 3.63Å; W449-H453 AromaticContact CD2-ND1 3.69Å; W449-H453 AromaticContact CE2-CE1 3.41Å; W449-H453 VanDerWaalsContact CE2-CE1 3.41Å; W449-H453 AromaticContact CE2-ND1 3.53Å; W449-H453 AromaticContact CE3-CE1 3.81Å; W449-H453 AromaticContact CG-ND1 3.92Å; W449-H453 AromaticContact CH2-CE1 3.62Å; W449-H453 AromaticContact CZ2-CE1 3.42Å; W449-H453 VanDerWaalsContact CZ2-CE1 3.42Å; W449-H453 WeakPolarHBondContact CZ2-CE1 3.32Å; W449-H453 AromaticContact CZ2-ND1 3.98Å; W449-H453 AromaticContact CZ2-NE2 3.81Å; W449-H453 AromaticContact CZ3-CE1 3.82Å; W449-H453 AromaticContact NE1-CE1 3.99Å; W449-H453 AromaticContact NE1-ND1 3.65Å; W449-H453 PolarHBondContact O-N 2.85Å; W449-H453 VanDerWaalsContact O-N 3.08Å; W449-H453 PolarHBondContact O-ND1 2.84Å; K450-H453 PolarHBondContact O-N 3.28Å; L451-H453 PolarHBondContact O-N 2.87Å
454Y95.9Very high95.2Very high119 Ų11940.3 Ų40.347%0.46721%0.214SC..Iπ-helixtrans-126.7-26.9-175.5-53.1-70.8000113.6K450 V617K450-Y454 HydrophobicContact CB-CD2 4.05Å; K450-Y454 HydrophobicContact CG-CD2 4.12Å; K450-Y454 HydrophobicContact CG-CE2 4.26Å; K450-Y454 WeakPolarHBondContact O-CA 3.27Å; K450-Y454 WeakPolarHBondContact O-CB 3.3Å; K450-Y454 PolarHBondContact O-N 3.08Å; Y454-V617 HydrophobicContact CD1-CG2 4.34Å; Y454-V617 HydrophobicContact CD2-CG2 3.91Å; Y454-V617 HydrophobicContact CG-CG1 4.46Å; Y454-V617 HydrophobicContact CG-CG2 3.78Å
455G96.3Very high95.2Very high2 Ų240.1 Ų40.12%0.02121%0.213CC..Iπ-helixtrans-83.7-51.2176.500000112.7K450 L451 W518K450-G455 PolarHBondContact O-N 3.17Å; L451-G455 CarbonylContact O-C 3.24Å; L451-G455 WeakPolarHBondContact O-CA 3.4Å; L451-G455 PolarHBondContact O-N 3.04Å; L451-G455 VanDerWaalsContact O-N 3.09Å; G455-W518 WeakPolarHBondContact O-CZ2 3.24Å
456L97.4Very high95.3Very high7 Ų740 Ų404%0.03721%0.213CC..SBendtrans-88.4149.2-176.9-65166.2000111.7L451 I466 V481 R484 W518L451-L456 HydrophobicContact CD1-CG 4.16Å; L451-L456 HydrophobicContact CG-CD1 4.15Å; L451-L456 HydrophobicContact CG-CG 4.3Å; L451-L456 PolarHBondContact O-N 3.4Å; L456-I466 HydrophobicContact CD1-CD1 3.69Å; L456-I466 HydrophobicContact CD1-CG1 4.21Å; L456-I466 HydrophobicContact CD2-CD1 4.21Å; L456-I466 HydrophobicContact CD2-CG1 3.92Å; L456-V481 HydrophobicContact CD1-CB 4.28Å; L456-R484 VanDerWaalsContact CD1-NH1 3.32Å; L456-R484 PolarHBondContact O-NH2 2.65Å; L456-W518 HydrophobicContact CD2-CB 4.41Å; L456-W518 VanDerWaalsContact CD2-CD1 3.45Å; L456-W518 HydrophobicContact CD2-CD2 4.28Å; L456-W518 HydrophobicContact CD2-CG 3.81Å
457P94.7Very high95.4Very high14 Ų1439.3 Ų39.39%0.09121%0.207CC..  trans-57.9154.4-177.6-26.435.1000114.2E462 R484P457-E462 HydrophobicContact CB-CB 3.91Å; P457-E462 HydrophobicContact CG-CB 3.65Å; P457-R484 PolarHBondContact O-NE 3.37Å; P457-R484 PolarHBondContact O-NH2 2.94Å
458T91Very high95.4Very high101 Ų10139.4 Ų39.462%0.6221%0.208SC*.SBendtrans-72.7-30179.148.20000113R320R320-T458 WeakPolarHBondContact CD-O 3.24Å
459D88.8Confident95.4Very high78 Ų7839.4 Ų39.442%0.41721%0.208SC..SBendtrans-144.5-161.1-178.562.929.2000111.6S461 R484D459-S461 WeakPolarHBondContact OD1-CB 3.4Å; D459-S461 PolarHBondContact OD1-N 3.47Å; D459-S461 PolarHBondContact OD1-OG 3.27Å; D459-R484 WeakPolarHBondContact O-CG 3.44Å
460S88.4Confident95.1Very high74 Ų7437 Ų3752%0.51720%0.203SC..SBendtrans-89.710.9-179.5630000114.8E462S460-E462 VanDerWaalsContact C-N 3.33Å
461S89.1Confident94.7Very high93 Ų9335.6 Ų35.665%0.6520%0.202SC*.SBendtrans-66.8-35.8177.858.70000112.2D459D459-S461 WeakPolarHBondContact OD1-CB 3.4Å; D459-S461 PolarHBondContact OD1-N 3.47Å; D459-S461 PolarHBondContact OD1-OG 3.27Å
462E91.7Very high94.4Very high109 Ų10936.1 Ų36.151%0.50921%0.205SC..SBendtrans-104.7132.4174.2-66.6177.8-150.600111P457 S460 S464P457-E462 HydrophobicContact CB-CB 3.91Å; P457-E462 HydrophobicContact CG-CB 3.65Å; S460-E462 VanDerWaalsContact C-N 3.33Å; E462-S464 PolarHBondContact O-N 2.88Å
463D95.5Very high94.4Very high43 Ų4336.1 Ų36.123%0.2321%0.205CC..  trans-75123.2178.2-165.6-1.8000111.1Q485 R512 A515 T516D463-Q485 PolarHBondContact OD1-NE2 3.22Å; D463-R512 IonicContact OD1-CZ 3.37Å; D463-R512 IonicContact OD1-NE 2.83Å; D463-R512 PolarHBondContact OD1-NE 3.45Å; D463-R512 IonicContact OD1-NH1 3.89Å; D463-R512 IonicContact OD1-NH2 3.08Å; D463-R512 PolarHBondContact OD1-NH2 2.92Å; D463-R512 IonicContact OD2-CZ 3.29Å; D463-R512 VanDerWaalsContact OD2-CZ 3.26Å; D463-R512 IonicContact OD2-NE 3.75Å; D463-R512 PolarHBondContact OD2-NE 3.33Å; D463-R512 IonicContact OD2-NH2 2.8Å; D463-R512 PolarHBondContact OD2-NH2 3.44Å; D463-A515 HydrophobicContact CB-CB 4.13Å; D463-A515 VanDerWaalsContact CG-CB 3.47Å; D463-A515 WeakPolarHBondContact O-CA 3.37Å; D463-T516 PolarHBondContact O-N 2.91Å
464S97.7Very high94.4Very high1 Ų133.7 Ų33.71%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-140.9148.4175.756.20000111.2E462 S488 T516E462-S464 PolarHBondContact O-N 2.88Å; S464-S488 WeakPolarHBondContact O-CB 3.26Å; S464-T516 VanDerWaalsContact CA-O 3.26Å; S464-T516 WeakPolarHBondContact CA-O 3.49Å
465I98.4Very high94.3Very high0 Ų028.7 Ų28.70%018%0.18CC..EExtended strand (participates in β ladder)trans-128.9132.3174.8-57.7170.1000107.8L94 I467 A508 R512 A515 T516 V517 W518L94-I465 HydrophobicContact CD1-CD1 4.25Å; I465-I467 HydrophobicContact CG2-CG1 4.23Å; I465-A508 HydrophobicContact CD1-CB 3.97Å; I465-A508 HydrophobicContact CG2-CB 4.36Å; I465-R512 HydrophobicContact CD1-CB 4.01Å; I465-R512 HydrophobicContact CD1-CG 4.29Å; I465-A515 HydrophobicContact CD1-CB 3.93Å; I465-A515 HydrophobicContact CG1-CB 4.03Å; I465-T516 PolarHBondContact N-O 3.28Å; I465-V517 HydrophobicContact CB-CG2 4.48Å; I465-V517 HydrophobicContact CD1-CG2 4.33Å; I465-W518 PolarHBondContact O-N 3.04Å
466I98.6Very high94.3Very high1 Ų128.6 Ų28.61%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-106.5128.4175.8-53.3166.7000108.4L456 V481 S488 W489 L490 W518 I520L456-I466 HydrophobicContact CD1-CD1 3.69Å; L456-I466 HydrophobicContact CD1-CG1 4.21Å; L456-I466 HydrophobicContact CD2-CD1 4.21Å; L456-I466 HydrophobicContact CD2-CG1 3.92Å; I466-V481 HydrophobicContact CD1-CG2 4.32Å; I466-V481 HydrophobicContact CG2-CG2 4.33Å; I466-S488 PolarHBondContact N-O 2.98Å; I466-W489 HydrophobicContact CB-CE3 3.87Å; I466-W489 HydrophobicContact CB-CZ3 4.12Å; I466-W489 HydrophobicContact CD1-CE3 4.46Å; I466-W489 HydrophobicContact CG2-CE3 3.84Å; I466-W489 HydrophobicContact CG2-CH2 4.49Å; I466-W489 HydrophobicContact CG2-CZ3 3.55Å; I466-W489 CarbonylContact O-C 3.59Å; I466-W489 VanDerWaalsContact O-CA 3.32Å; I466-W489 WeakPolarHBondContact O-CA 3.2Å; I466-L490 PolarHBondContact O-N 3.1Å; I466-W518 CarbonylContact C-O 3.59Å; I466-I520 HydrophobicContact CG2-CD1 3.84Å; I466-I520 HydrophobicContact CG2-CG1 4.28Å
467I98.7Very high94.2Very high0 Ų028.3 Ų28.30%018%0.178CC..EExtended strand (participates in β ladder)trans-116.5128.2176.9-56.1177.5000107.3I465 L490 F504 A505 A508 V517 W518 V519 I520I465-I467 HydrophobicContact CG2-CG1 4.23Å; I467-L490 CarbonylContact C-O 3.36Å; I467-L490 WeakPolarHBondContact CA-O 3.13Å; I467-L490 HydrophobicContact CD1-CD1 4.36Å; I467-L490 HydrophobicContact CG1-CB 4.2Å; I467-L490 HydrophobicContact CG1-CD1 4.26Å; I467-L490 HydrophobicContact CG2-CB 4.47Å; I467-F504 HydrophobicContact CD1-CB 3.94Å; I467-F504 HydrophobicContact CG2-CB 3.82Å; I467-F504 HydrophobicContact CG2-CD2 4.1Å; I467-F504 HydrophobicContact CG2-CG 4.48Å; I467-A505 VanDerWaalsContact CD1-CA 3.42Å; I467-A505 HydrophobicContact CD1-CB 4.05Å; I467-A508 HydrophobicContact CD1-CB 4.14Å; I467-V517 HydrophobicContact CD1-CG1 3.58Å; I467-V517 HydrophobicContact CG1-CG1 4.34Å; I467-W518 PolarHBondContact N-O 3.26Å; I467-V519 HydrophobicContact CB-CB 4.41Å; I467-V519 HydrophobicContact CB-CG1 4.14Å; I467-V519 HydrophobicContact CB-CG2 4.16Å; I467-V519 HydrophobicContact CD1-CG2 4.17Å; I467-V519 HydrophobicContact CG2-CG1 4.05Å; I467-V519 CarbonylContact O-C 3.6Å; I467-V519 WeakPolarHBondContact O-CA 3.36Å; I467-I520 PolarHBondContact O-N 2.96Å
468A98.1Very high94.2Very high3 Ų329 Ų293%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-111.2119.3-179.400000109.6V474 W489 L490 D491 P492A468-V474 HydrophobicContact CB-CG1 3.58Å; A468-W489 HydrophobicContact CB-CH2 3.83Å; A468-W489 HydrophobicContact CB-CZ2 3.63Å; A468-L490 PolarHBondContact N-O 2.89Å; A468-D491 HydrophobicContact CB-CB 4.23Å; A468-P492 VanDerWaalsContact O-CD 3.29Å; A468-P492 WeakPolarHBondContact O-CD 3.4Å
469D97.6Very high94.3Very high0 Ų028.5 Ų28.50%017%0.172CC..EExtended strand (participates in β ladder)trans-131.198.5178.5-1722.8000110.6G499 V500 G501 I520 Y521 G522 S525D469-G499 PolarHBondContact OD1-N 3.14Å; D469-G499 VanDerWaalsContact OD2-C 3.26Å; D469-G499 WeakPolarHBondContact OD2-CA 3.37Å; D469-G499 PolarHBondContact OD2-N 3.04Å; D469-G499 VanDerWaalsContact OD2-N 3.14Å; D469-V500 HydrophobicContact CB-CG2 3.84Å; D469-V500 PolarHBondContact OD2-N 2.8Å; D469-G501 WeakPolarHBondContact OD2-CA 3.48Å; D469-G501 PolarHBondContact OD2-N 2.93Å; D469-I520 PolarHBondContact N-O 3.07Å; D469-Y521 HydrophobicContact CB-CD1 3.73Å; D469-Y521 HydrophobicContact CB-CE1 3.75Å; D469-Y521 VanDerWaalsContact OD2-CE1 3.31Å; D469-Y521 WeakPolarHBondContact OD2-CE1 3.21Å; D469-G522 PolarHBondContact O-N 3.48Å; D469-S525 VanDerWaalsContact O-CB 3.28Å; D469-S525 WeakPolarHBondContact O-CB 3.39Å; D469-S525 PolarHBondContact O-OG 3.11Å
470G90.9Very high94.6Very high12 Ų1225 Ų2512%0.12415%0.153CC..SBendtrans62.5155.9163.500000119.2V474 G522 S525G470-V474 WeakPolarHBondContact O-CB 3.41Å; G470-V474 WeakPolarHBondContact O-CG2 3.19Å; G470-G522 PolarHBondContact O-N 2.8Å; G470-S525 PolarHBondContact O-OG 2.93Å
471G88.5Confident95Very high19 Ų1921.5 Ų21.520%0.19613%0.129CC..SBendtrans93.7159.8172.100000114.9F473 V474 G475G471-F473 PolarHBondContact O-N 2.99Å; G471-V474 PolarHBondContact O-N 2.86Å; G471-V474 VanDerWaalsContact O-N 3.12Å; G471-G475 PolarHBondContact O-N 3.36Å; G471-G475 VanDerWaalsContact O-N 3.08Å
472D92.9Very high95.4Very high11 Ų1118.9 Ų18.96%0.05910%0.104CC..Hα-helixtrans-64.7-32-176.5-16672.8000112.5V474 G475 S476 Q555 R558 R645D472-V474 PolarHBondContact O-N 2.91Å; D472-G475 PolarHBondContact O-N 2.72Å; D472-S476 PolarHBondContact O-N 3.02Å; D472-S476 PolarHBondContact O-OG 3.36Å; D472-Q555 HydrophobicContact CB-CB 4.49Å; D472-R558 IonicContact OD1-CZ 3.36Å; D472-R558 IonicContact OD1-NE 3.84Å; D472-R558 IonicContact OD1-NH2 3.88Å; D472-R558 PolarHBondContact OD1-NH2 3.2Å; D472-R558 IonicContact OD2-NH2 2.63Å; D472-R558 PolarHBondContact OD2-NH2 2.87Å; D472-R645 WeakPolarHBondContact OD1-CD 3.44Å; D472-R645 IonicContact OD1-CZ 3.98Å; D472-R645 IonicContact OD1-NE 3.53Å; D472-R645 IonicContact OD1-NH1 2.83Å; D472-R645 PolarHBondContact OD1-NH1 3.13Å
473F96.4Very high95.6Very high3 Ų314.1 Ų14.11%0.0138%0.083CC..Hα-helixtrans-57.6-45.3172-174-115.8000112.3P444 V447 L448 G471 S476 A477 I520 Y521 V546 I639P444-F473 HydrophobicContact CB-CD2 3.74Å; P444-F473 HydrophobicContact CB-CE2 4.04Å; V447-F473 HydrophobicContact CB-CE2 4.28Å; V447-F473 HydrophobicContact CB-CZ 4.37Å; V447-F473 HydrophobicContact CG1-CE2 4.3Å; V447-F473 HydrophobicContact CG1-CZ 3.9Å; L448-F473 HydrophobicContact CD1-CD2 4.08Å; L448-F473 HydrophobicContact CD1-CE2 3.91Å; L448-F473 HydrophobicContact CD1-CZ 4.49Å; L448-F473 HydrophobicContact CD2-CD2 4.43Å; L448-F473 HydrophobicContact CD2-CE1 3.92Å; L448-F473 HydrophobicContact CD2-CE2 3.8Å; L448-F473 HydrophobicContact CD2-CZ 3.51Å; L448-F473 HydrophobicContact CG-CD2 4.19Å; L448-F473 HydrophobicContact CG-CE2 3.53Å; L448-F473 HydrophobicContact CG-CZ 3.75Å; G471-F473 PolarHBondContact O-N 2.99Å; F473-S476 PolarHBondContact O-N 3.34Å; F473-A477 PolarHBondContact O-N 3.14Å; F473-I520 HydrophobicContact CD1-CG2 3.69Å; F473-I520 HydrophobicContact CE1-CG2 3.58Å; F473-Y521 WeakPolarHBondContact CD1-O 3.33Å; F473-V546 HydrophobicContact CE1-CG1 4.34Å; F473-V546 HydrophobicContact CZ-CG1 4.48Å; F473-I639 HydrophobicContact CB-CD1 4.08Å; F473-I639 HydrophobicContact CD2-CD1 3.75Å; F473-I639 HydrophobicContact CE2-CD1 4.47Å; F473-I639 HydrophobicContact CE2-CG2 4.5Å; F473-I639 HydrophobicContact CG-CD1 4.14Å
474V95.8Very high95.6Very high17 Ų1712.3 Ų12.310%0.1037%0.073CC..Hα-helixtrans-68.1-38.4176171.20000111.5A468 G470 G471 D472 S476 A477 A478 I520A468-V474 HydrophobicContact CB-CG1 3.58Å; G470-V474 WeakPolarHBondContact O-CB 3.41Å; G470-V474 WeakPolarHBondContact O-CG2 3.19Å; G471-V474 PolarHBondContact O-N 2.86Å; G471-V474 VanDerWaalsContact O-N 3.12Å; D472-V474 PolarHBondContact O-N 2.91Å; V474-S476 VanDerWaalsContact C-N 3.26Å; V474-S476 PolarHBondContact O-N 3Å; V474-A477 WeakPolarHBondContact O-CB 3.18Å; V474-A477 PolarHBondContact O-N 3.4Å; V474-A478 PolarHBondContact O-N 3.49Å; V474-I520 HydrophobicContact CG2-CB 4.34Å; V474-I520 HydrophobicContact CG2-CG2 3.9Å; V474-I520 WeakPolarHBondContact CG2-O 3.31Å
475G93.5Very high95.5Very high15 Ų1513.5 Ų13.516%0.1558%0.078CC..Hα-helixtrans-56.7-41.5171.500000112.3G471 D472 A478 Y479G471-G475 PolarHBondContact O-N 3.36Å; G471-G475 VanDerWaalsContact O-N 3.08Å; D472-G475 PolarHBondContact O-N 2.72Å; G475-A478 PolarHBondContact O-N 2.88Å; G475-Y479 VanDerWaalsContact O-CD2 3.29Å; G475-Y479 WeakPolarHBondContact O-CD2 3.44Å
476S95.6Very high95.5Very high0 Ų014.5 Ų14.50%08%0.084CC..Hα-helixtrans-71.2-38.7175.9-60.60000111.5D472 F473 V474 A478 Y479 R645D472-S476 PolarHBondContact O-N 3.02Å; D472-S476 PolarHBondContact O-OG 3.36Å; F473-S476 PolarHBondContact O-N 3.34Å; V474-S476 VanDerWaalsContact C-N 3.26Å; V474-S476 PolarHBondContact O-N 3Å; S476-A478 PolarHBondContact O-N 2.81Å; S476-Y479 PolarHBondContact O-N 3.07Å; S476-Y479 VanDerWaalsContact O-N 3.11Å; S476-R645 WeakPolarHBondContact OG-CD 3.2Å
477A96.7Very high95.4Very high1 Ų116 Ų161%0.0089%0.092CC..Hα-helixtrans-56.3-39.1175.500000111.4L448 F473 V474 Y479 I480 V481 I520L448-A477 HydrophobicContact CD1-CB 4.14Å; L448-A477 HydrophobicContact CD2-CB 3.51Å; L448-A477 HydrophobicContact CG-CB 4.44Å; F473-A477 PolarHBondContact O-N 3.14Å; V474-A477 WeakPolarHBondContact O-CB 3.18Å; V474-A477 PolarHBondContact O-N 3.4Å; A477-Y479 PolarHBondContact O-N 3.3Å; A477-I480 PolarHBondContact O-N 3.07Å; A477-V481 HydrophobicContact CB-CG1 4.34Å; A477-V481 HydrophobicContact CB-CG2 4.23Å; A477-V481 WeakPolarHBondContact O-CG2 3.41Å; A477-V481 PolarHBondContact O-N 2.92Å; A477-I520 HydrophobicContact CB-CD1 3.99Å; A477-I520 HydrophobicContact CB-CG2 4.12Å
478A93.6Very high95.3Very high28 Ų2816 Ų1623%0.2319%0.092CC..Hα-helixtrans-58.7-21.6-179.700000114.6R315 V474 G475 S476R315-A478 PolarHBondContact NH1-O 2.89Å; R315-A478 PolarHBondContact NH2-O 3.08Å; V474-A478 PolarHBondContact O-N 3.49Å; G475-A478 PolarHBondContact O-N 2.88Å; S476-A478 PolarHBondContact O-N 2.81Å
479Y93.9Very high95.3Very high90 Ų9016.2 Ų16.235%0.3539%0.093SC..Hα-helixtrans-89.7-27174.5-69.9-100.5000113.2R327 H328 H426 G475 S476 A477 F644R327-Y479 PolarHBondContact NH1-O 3.17Å; H328-Y479 PolarHBondContact CE1-O 2.97Å; H426-Y479 AromaticContact NE2-CD1 3.9Å; G475-Y479 VanDerWaalsContact O-CD2 3.29Å; G475-Y479 WeakPolarHBondContact O-CD2 3.44Å; S476-Y479 PolarHBondContact O-N 3.07Å; S476-Y479 VanDerWaalsContact O-N 3.11Å; A477-Y479 PolarHBondContact O-N 3.3Å; Y479-F644 HydrophobicContact CD2-CE1 4.29Å; Y479-F644 HydrophobicContact CG-CE1 4.19Å; Y479-F644 HydrophobicContact CG-CZ 4.35Å
480I95.8Very high95.3Very high6 Ų616.2 Ų16.23%0.0319%0.093CC..Hα-helixtrans-100.7-55.7-171.5-61.2176.6000111.1I430 L445 L448 E452 A477I430-I480 HydrophobicContact CG2-CD1 4.07Å; I430-I480 HydrophobicContact CG2-CG1 3.78Å; L445-I480 HydrophobicContact CB-CD1 4.17Å; L445-I480 HydrophobicContact CD2-CD1 3.78Å; L448-I480 HydrophobicContact CB-CB 4.34Å; L448-I480 HydrophobicContact CB-CD1 3.8Å; L448-I480 HydrophobicContact CB-CG2 4.22Å; L448-I480 HydrophobicContact CD1-CD1 4.15Å; E452-I480 HydrophobicContact CB-CG2 4.08Å; E452-I480 HydrophobicContact CG-CG2 4.49Å; A477-I480 PolarHBondContact O-N 3.07Å
481V96.9Very high95.6Very high0 Ų017 Ų170%09%0.094CC..  trans-81.4139.4-169.2-45.40000111.5L448 L451 E452 L456 I466 A477 W489 I520L448-V481 HydrophobicContact CD2-CG1 4.28Å; L451-V481 HydrophobicContact CD2-CG1 4.47Å; E452-V481 HydrophobicContact CB-CG1 4.43Å; E452-V481 WeakPolarHBondContact OE2-CA 3.48Å; L456-V481 HydrophobicContact CD1-CB 4.28Å; I466-V481 HydrophobicContact CD1-CG2 4.32Å; I466-V481 HydrophobicContact CG2-CG2 4.33Å; A477-V481 HydrophobicContact CB-CG1 4.34Å; A477-V481 HydrophobicContact CB-CG2 4.23Å; A477-V481 WeakPolarHBondContact O-CG2 3.41Å; A477-V481 PolarHBondContact O-N 2.92Å; V481-W489 HydrophobicContact CG2-CH2 4.27Å; V481-W489 HydrophobicContact CG2-CZ3 3.73Å; V481-I520 HydrophobicContact CG1-CD1 4.15Å; V481-I520 HydrophobicContact CG2-CD1 3.9Å
482R95.7Very high95.9Very high38 Ų3817 Ų1714%0.1439%0.091CC..  trans-123.9120.9-170.9-58.2-178.7-163.5-166.40.4111.9R320 N321 R327 D427 E452 R484R320-R482 HydrophobicContact CG-CB 3.87Å; N321-R482 PolarHBondContact OD1-NH1 3.16Å; R327-R482 VanDerWaalsContact CZ-CZ 3.41Å; R327-R482 VanDerWaalsContact CZ-NE 3.25Å; D427-R482 IonicContact OD1-NH2 3.07Å; D427-R482 PolarHBondContact OD1-NH2 3.27Å; D427-R482 VanDerWaalsContact OD1-NH2 3.13Å; D427-R482 IonicContact OD2-CZ 2.71Å; D427-R482 IonicContact OD2-NH1 2.68Å; D427-R482 IonicContact OD2-NH2 2.78Å; D427-R482 PolarHBondContact OD2-NH2 3.45Å; E452-R482 PolarHBondContact OE2-N 3.11Å; R482-R484 WeakPolarHBondContact O-CD 3.38Å; R482-R484 PolarHBondContact O-NH1 3.12Å
483P96.7Very high95.9Very high8 Ų817.5 Ų17.55%0.05210%0.098CC..  trans-62.4139.617022.7-32.1000112R315 S488 W489R315-P483 HydrophobicContact CB-CG 3.87Å; R315-P483 WeakPolarHBondContact O-CG 3.31Å; P483-S488 WeakPolarHBondContact CB-OG 3.45Å; P483-W489 HydrophobicContact CB-CB 4.06Å; P483-W489 HydrophobicContact CG-CB 4.05Å; P483-W489 HydrophobicContact CG-CE3 4.47Å
484R96.4Very high95.7Very high6 Ų618.3 Ų18.32%0.02310%0.104CC..  trans-86-20.4-169.9-82.653.3173.9174.85.8113.9G319 E452 L456 P457 D459 R482 S488G319-R484 VanDerWaalsContact CA-O 3.31Å; G319-R484 WeakPolarHBondContact CA-O 3.35Å; E452-R484 PolarHBondContact O-NH2 3.47Å; E452-R484 IonicContact OE1-CZ 3.5Å; E452-R484 IonicContact OE1-NH1 3.04Å; E452-R484 IonicContact OE1-NH2 3.73Å; E452-R484 IonicContact OE2-CZ 3.25Å; E452-R484 IonicContact OE2-NH1 2.78Å; E452-R484 PolarHBondContact OE2-NH1 2.86Å; E452-R484 IonicContact OE2-NH2 3.91Å; L456-R484 VanDerWaalsContact CD1-NH1 3.32Å; L456-R484 PolarHBondContact O-NH2 2.65Å; P457-R484 PolarHBondContact O-NE 3.37Å; P457-R484 PolarHBondContact O-NH2 2.94Å; D459-R484 WeakPolarHBondContact O-CG 3.44Å; R482-R484 WeakPolarHBondContact O-CD 3.38Å; R482-R484 PolarHBondContact O-NH1 3.12Å; R484-S488 PolarHBondContact N-OG 3.46Å
485Q95.8Very high95.7Very high25 Ų2521.2 Ų21.212%0.11712%0.115CC..SBendtrans-157.8169.5-173.559.9179.3-38.300112.2G316 D463 S488G316-Q485 CarbonylContact O-C 3.56Å; G316-Q485 WeakPolarHBondContact O-CA 3.36Å; D463-Q485 PolarHBondContact OD1-NE2 3.22Å; Q485-S488 PolarHBondContact N-OG 3.45Å; Q485-S488 WeakPolarHBondContact O-CB 3.31Å; Q485-S488 PolarHBondContact O-N 2.8Å; Q485-S488 PolarHBondContact O-OG 3.14Å
486P96.7Very high95.6Very high21 Ų2123 Ų2314%0.13613%0.133CC..THydrogen-bonded Turntrans-52.1144.1173.4-27.134.3000112.3A294 K295 A298 G316 L317 S488A294-P486 HydrophobicContact CB-CB 3.81Å; K295-P486 HydrophobicContact CG-CG 4.49Å; A298-P486 HydrophobicContact CB-CG 4Å; G316-P486 VanDerWaalsContact O-N 3.13Å; L317-P486 HydrophobicContact CD1-CB 4.24Å; L317-P486 HydrophobicContact CD1-CG 4.29Å; P486-S488 VanDerWaalsContact C-N 3.3Å; P486-S488 PolarHBondContact O-N 3.11Å
487L96.6Very high95.6Very high33 Ų3323.9 Ų23.917%0.17314%0.139CC..THydrogen-bonded Turntrans58.436.7177.6-53.5176.3000113.7R93 L94 V288 A294 R512R93-L487 WeakPolarHBondContact O-CD2 3.09Å; L94-L487 HydrophobicContact CD2-CB 3.98Å; L94-L487 WeakPolarHBondContact CD2-O 3.37Å; V288-L487 HydrophobicContact CB-CD2 3.79Å; V288-L487 HydrophobicContact CG1-CD2 4.35Å; V288-L487 HydrophobicContact CG2-CD2 3.66Å; A294-L487 HydrophobicContact CB-CD1 3.88Å; A294-L487 HydrophobicContact CB-CD2 4.15Å; A294-L487 HydrophobicContact CB-CG 3.74Å; L487-R512 PolarHBondContact O-NH1 2.93Å
488S97.2Very high95.6Very high0 Ų026 Ų260%015%0.15CC..  trans-114.917.2175.561.80000114S464 I466 P483 R484 Q485 P486S464-S488 WeakPolarHBondContact O-CB 3.26Å; I466-S488 PolarHBondContact N-O 2.98Å; P483-S488 WeakPolarHBondContact CB-OG 3.45Å; R484-S488 PolarHBondContact N-OG 3.46Å; Q485-S488 PolarHBondContact N-OG 3.45Å; Q485-S488 WeakPolarHBondContact O-CB 3.31Å; Q485-S488 PolarHBondContact O-N 2.8Å; Q485-S488 PolarHBondContact O-OG 3.14Å; P486-S488 VanDerWaalsContact C-N 3.3Å; P486-S488 PolarHBondContact O-N 3.11Å
489W97.8Very high95.8Very high7 Ų725 Ų253%0.02714%0.141CC..EExtended strand (participates in β ladder)trans-135.6129.3176.2-179.1-89.2000111.3R315 I466 A468 V481 P483 D491R315-W489 HydrophobicContact CB-CB 3.97Å; R315-W489 HydrophobicContact CB-CD2 4.49Å; R315-W489 HydrophobicContact CB-CG 3.87Å; I466-W489 HydrophobicContact CB-CE3 3.87Å; I466-W489 HydrophobicContact CB-CZ3 4.12Å; I466-W489 HydrophobicContact CD1-CE3 4.46Å; I466-W489 HydrophobicContact CG2-CE3 3.84Å; I466-W489 HydrophobicContact CG2-CH2 4.49Å; I466-W489 HydrophobicContact CG2-CZ3 3.55Å; I466-W489 CarbonylContact O-C 3.59Å; I466-W489 VanDerWaalsContact O-CA 3.32Å; I466-W489 WeakPolarHBondContact O-CA 3.2Å; A468-W489 HydrophobicContact CB-CH2 3.83Å; A468-W489 HydrophobicContact CB-CZ2 3.63Å; V481-W489 HydrophobicContact CG2-CH2 4.27Å; V481-W489 HydrophobicContact CG2-CZ3 3.73Å; P483-W489 HydrophobicContact CB-CB 4.06Å; P483-W489 HydrophobicContact CG-CB 4.05Å; P483-W489 HydrophobicContact CG-CE3 4.47Å; W489-D491 PolarHBondContact NE1-OD2 2.96Å
490L98.1Very high96Very high1 Ų120.7 Ų20.71%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-128.3140.1170.5-64.1176.5000110.7A90 R93 L94 I466 I467 A468 F504 A508A90-L490 HydrophobicContact CB-CD1 3.84Å; R93-L490 HydrophobicContact CB-CD2 3.9Å; L94-L490 HydrophobicContact CD1-CD1 3.97Å; L94-L490 HydrophobicContact CD2-CD2 4.29Å; L94-L490 HydrophobicContact CG-CD1 4.36Å; L94-L490 HydrophobicContact CG-CD2 4.36Å; I466-L490 PolarHBondContact O-N 3.1Å; I467-L490 CarbonylContact C-O 3.36Å; I467-L490 WeakPolarHBondContact CA-O 3.13Å; I467-L490 HydrophobicContact CD1-CD1 4.36Å; I467-L490 HydrophobicContact CG1-CB 4.2Å; I467-L490 HydrophobicContact CG1-CD1 4.26Å; I467-L490 HydrophobicContact CG2-CB 4.47Å; A468-L490 PolarHBondContact N-O 2.89Å; L490-F504 HydrophobicContact CB-CD2 3.77Å; L490-F504 HydrophobicContact CB-CE2 4.23Å; L490-F504 HydrophobicContact CD1-CB 4.14Å; L490-F504 HydrophobicContact CD1-CD2 4.25Å; L490-F504 HydrophobicContact CD1-CG 4.31Å; L490-A508 HydrophobicContact CD1-CB 4.2Å
491D96.9Very high96.1Very high29 Ų2920.4 Ų20.416%0.15512%0.123CC..  trans-149.4165.2176.465.837.9000109.7R93 A468 W489 G493 F504R93-D491 PolarHBondContact NH1-O 2.84Å; A468-D491 HydrophobicContact CB-CB 4.23Å; W489-D491 PolarHBondContact NE1-OD2 2.96Å; D491-G493 PolarHBondContact O-N 2.84Å; D491-G493 VanDerWaalsContact OD1-CA 3.25Å; D491-G493 WeakPolarHBondContact OD1-CA 3.38Å; D491-G493 PolarHBondContact OD1-N 2.95Å; D491-F504 WeakPolarHBondContact O-CE2 3.34Å
492P95.1Very high96.2Very high18 Ų1820.4 Ų20.412%0.11712%0.123CC..  trans-65.8-4.2177.525.9-35.9000114N118 A468 T497 V500N118-P492 PolarHBondContact OD1-O 2.82Å; A468-P492 VanDerWaalsContact O-CD 3.29Å; A468-P492 WeakPolarHBondContact O-CD 3.4Å; P492-T497 HydrophobicContact CB-CG2 4.01Å; P492-T497 VanDerWaalsContact CB-O 3.26Å; P492-T497 WeakPolarHBondContact CB-O 3.42Å; P492-T497 WeakPolarHBondContact CG-O 3.38Å; P492-V500 HydrophobicContact CB-CG1 3.91Å; P492-V500 HydrophobicContact CB-CG2 4.47Å
493G92.7Very high96.3Very high21 Ų2118.6 Ų18.622%0.21612%0.116CC..G310 helixtrans63.3-154-17800000112.8D491 F495 G496D491-G493 PolarHBondContact O-N 2.84Å; D491-G493 VanDerWaalsContact OD1-CA 3.25Å; D491-G493 WeakPolarHBondContact OD1-CA 3.38Å; D491-G493 PolarHBondContact OD1-N 2.95Å; G493-F495 PolarHBondContact O-N 3.46Å; G493-G496 PolarHBondContact O-N 3.48Å
494P92.6Very high96.4Very high20 Ų2018.2 Ų18.213%0.1311%0.114CC..G310 helixtrans-71.9-10.5-170.624.9-29.7000114.9M121 F349 G496M121-P494 HydrophobicContact CB-CG 4.22Å; M121-P494 HydrophobicContact CE-CB 3.99Å; M121-P494 HydrophobicContact CE-CG 4.04Å; F349-P494 HydrophobicContact CE1-CB 4.31Å; P494-G496 VanDerWaalsContact C-N 3.34Å
495F94.6Very high96.5Very high79 Ų7917.9 Ų17.935%0.34611%0.113SC..G310 helixtrans-78-23.5177.3-168.9-131.9000112.3T114 K117 N118 M121 G493 T497T114-F495 HydrophobicContact CG2-CE1 3.92Å; K117-F495 HydrophobicContact CB-CD1 4.47Å; K117-F495 HydrophobicContact CB-CE1 3.99Å; K117-F495 HydrophobicContact CB-CZ 4.12Å; K117-F495 HydrophobicContact CG-CD1 4.14Å; K117-F495 HydrophobicContact CG-CD2 4.02Å; K117-F495 HydrophobicContact CG-CE1 3.78Å; K117-F495 HydrophobicContact CG-CE2 3.65Å; K117-F495 HydrophobicContact CG-CG 4.27Å; K117-F495 HydrophobicContact CG-CZ 3.52Å; N118-F495 HydrophobicContact CB-CD1 4.2Å; M121-F495 HydrophobicContact CB-CB 4.2Å; M121-F495 HydrophobicContact CE-CB 4.25Å; M121-F495 HydrophobicContact CE-CD2 4.48Å; M121-F495 HydrophobicContact CG-CB 4.41Å; M121-F495 HydrophobicContact SD-CB 3.64Å; M121-F495 HydrophobicContact SD-CD2 3.4Å; M121-F495 WeakPolarHBondContact SD-CD2 3.27Å; M121-F495 HydrophobicContact SD-CE2 4.35Å; M121-F495 HydrophobicContact SD-CG 3.81Å; G493-F495 PolarHBondContact O-N 3.46Å; F495-T497 HydrophobicContact CD1-CG2 4.3Å; F495-T497 PolarHBondContact O-N 3.02Å
496G91.6Very high96.7Very high52 Ų5216.7 Ų16.754%0.53611%0.107SC..  trans64.522.9175.400000114.7G493 P494G493-G496 PolarHBondContact O-N 3.48Å; P494-G496 VanDerWaalsContact C-N 3.34Å
497T95.3Very high96.8Very high18 Ų1815.7 Ų15.711%0.1110%0.101CC..  trans-67149.5177.2-167.60000111.5F86 T114 N118 P492 F495 V500F86-T497 HydrophobicContact CE1-CG2 4.03Å; F86-T497 HydrophobicContact CZ-CG2 3.93Å; T114-T497 WeakPolarHBondContact CG2-OG1 3.25Å; N118-T497 HydrophobicContact CB-CG2 4.04Å; N118-T497 VanDerWaalsContact OD1-CG2 3.24Å; N118-T497 WeakPolarHBondContact OD1-CG2 3.26Å; P492-T497 HydrophobicContact CB-CG2 4.01Å; P492-T497 VanDerWaalsContact CB-O 3.26Å; P492-T497 WeakPolarHBondContact CB-O 3.42Å; P492-T497 WeakPolarHBondContact CG-O 3.38Å; F495-T497 HydrophobicContact CD1-CG2 4.3Å; F495-T497 PolarHBondContact O-N 3.02Å; T497-V500 HydrophobicContact CG2-CG1 3.7Å
498L96.9Very high96.9Very high47 Ų4714.1 Ų14.125%0.2469%0.092CC..SBendtrans-92.3160.4169.4-50.8179000110.5Y528 W553L498-Y528 HydrophobicContact CB-CD2 4.07Å; L498-Y528 HydrophobicContact CB-CE2 4.08Å; L498-Y528 HydrophobicContact CB-CG 4.49Å; L498-Y528 HydrophobicContact CD1-CE2 3.94Å; L498-W553 HydrophobicContact CD1-CH2 3.71Å; L498-W553 HydrophobicContact CD1-CZ3 3.45Å; L498-W553 VanDerWaalsContact CD1-CZ3 3.45Å
499G97.5Very high96.9Very high5 Ų515.1 Ų15.15%0.05210%0.097CC..  trans87.715.8172.200000114.6F86 D469 G501 Y528 S529F86-G499 WeakPolarHBondContact CD2-O 3.34Å; F86-G499 WeakPolarHBondContact CE2-O 3.18Å; D469-G499 PolarHBondContact OD1-N 3.14Å; D469-G499 VanDerWaalsContact OD2-C 3.26Å; D469-G499 WeakPolarHBondContact OD2-CA 3.37Å; D469-G499 PolarHBondContact OD2-N 3.04Å; D469-G499 VanDerWaalsContact OD2-N 3.14Å; G499-G501 VanDerWaalsContact C-N 3.28Å; G499-Y528 VanDerWaalsContact CA-CB 3.43Å; G499-S529 WeakPolarHBondContact O-CB 3.24Å
500V98.6Very high96.9Very high0 Ų015.7 Ų15.70%010%0.1CC..  trans-72.1-24.5174.9-59.70000112.4F86 D469 P492 T497 G502 G503 F504F86-V500 HydrophobicContact CD1-CB 4.32Å; F86-V500 HydrophobicContact CD1-CG1 3.84Å; F86-V500 HydrophobicContact CE1-CB 4.46Å; F86-V500 HydrophobicContact CE1-CG1 3.56Å; F86-V500 HydrophobicContact CE2-CG1 4.45Å; F86-V500 HydrophobicContact CG-CG1 4.42Å; F86-V500 HydrophobicContact CZ-CG1 3.9Å; D469-V500 HydrophobicContact CB-CG2 3.84Å; D469-V500 PolarHBondContact OD2-N 2.8Å; P492-V500 HydrophobicContact CB-CG1 3.91Å; P492-V500 HydrophobicContact CB-CG2 4.47Å; T497-V500 HydrophobicContact CG2-CG1 3.7Å; V500-G502 PolarHBondContact O-N 3.21Å; V500-G503 PolarHBondContact O-N 3.36Å; V500-F504 HydrophobicContact CB-CD1 4.22Å; V500-F504 HydrophobicContact CB-CD2 3.84Å; V500-F504 HydrophobicContact CB-CE1 4.2Å; V500-F504 HydrophobicContact CB-CE2 3.81Å; V500-F504 HydrophobicContact CB-CG 4.07Å; V500-F504 HydrophobicContact CB-CZ 4Å; V500-F504 HydrophobicContact CG1-CE2 4.26Å; V500-F504 HydrophobicContact CG1-CZ 4.14Å; V500-F504 HydrophobicContact CG2-CD2 3.89Å; V500-F504 HydrophobicContact CG2-CE2 3.97Å; V500-F504 HydrophobicContact CG2-CG 4.49Å; V500-F504 VanDerWaalsContact O-CB 3.26Å; V500-F504 WeakPolarHBondContact O-CB 3.31Å; V500-F504 WeakPolarHBondContact O-CG 3.35Å; V500-F504 PolarHBondContact O-N 2.99Å
501G98.5Very high96.9Very high0 Ų017.3 Ų17.30%011%0.111CC..Hα-helixtrans-60.2-47.5-161.500000113.7D469 G499 A505 Y521D469-G501 WeakPolarHBondContact OD2-CA 3.48Å; D469-G501 PolarHBondContact OD2-N 2.93Å; G499-G501 VanDerWaalsContact C-N 3.28Å; G501-A505 WeakPolarHBondContact O-CB 3.3Å; G501-A505 PolarHBondContact O-N 2.69Å; G501-Y521 VanDerWaalsContact CA-OH 3.31Å; G501-Y521 WeakPolarHBondContact CA-OH 3.38Å
502G98.4Very high96.9Very high0 Ų017.9 Ų17.90%011%0.111CC..Hα-helixtrans-66-48.1-178.900000113V500 A505 L506 Y521 S529V500-G502 PolarHBondContact O-N 3.21Å; G502-A505 PolarHBondContact O-N 3.45Å; G502-L506 PolarHBondContact O-N 3.03Å; G502-L506 VanDerWaalsContact O-N 3.14Å; G502-Y521 PolarHBondContact N-OH 3.29Å; G502-S529 PolarHBondContact N-OG 2.96Å
503G98.7Very high97Very high0 Ų021 Ų210%013%0.131CC..Hα-helixtrans-64.1-45.9176.300000112S83 A87 V500 A505 L506 G507S83-G503 WeakPolarHBondContact O-CA 3.35Å; A87-G503 WeakPolarHBondContact CA-O 3.18Å; A87-G503 VanDerWaalsContact CB-O 3.22Å; A87-G503 WeakPolarHBondContact CB-O 3.32Å; V500-G503 PolarHBondContact O-N 3.36Å; G503-A505 VanDerWaalsContact C-N 3.32Å; G503-A505 PolarHBondContact O-N 3.37Å; G503-L506 PolarHBondContact O-N 3.07Å; G503-G507 PolarHBondContact O-N 3.28Å
504F98.8Very high97.2Very high0 Ų027.1 Ų27.10%016%0.159CC..Hα-helixtrans-62-39.7177.9-77.79.6000112.1F86 D89 A90 I467 L490 D491 V500 L506 A508F86-F504 HydrophobicContact CB-CD1 3.84Å; F86-F504 HydrophobicContact CB-CE1 3.94Å; F86-F504 AromaticContact CD1-CE1 3.95Å; F86-F504 HydrophobicContact CD1-CE1 3.95Å; F86-F504 HydrophobicContact CG-CE1 4.35Å; F86-F504 WeakPolarHBondContact O-CD1 3.4Å; F86-F504 WeakPolarHBondContact O-CE1 3.28Å; D89-F504 HydrophobicContact CB-CE1 4.05Å; A90-F504 HydrophobicContact CB-CB 4.19Å; A90-F504 HydrophobicContact CB-CD1 3.84Å; A90-F504 HydrophobicContact CB-CE1 4.48Å; A90-F504 HydrophobicContact CB-CG 4.13Å; I467-F504 HydrophobicContact CD1-CB 3.94Å; I467-F504 HydrophobicContact CG2-CB 3.82Å; I467-F504 HydrophobicContact CG2-CD2 4.1Å; I467-F504 HydrophobicContact CG2-CG 4.48Å; L490-F504 HydrophobicContact CB-CD2 3.77Å; L490-F504 HydrophobicContact CB-CE2 4.23Å; L490-F504 HydrophobicContact CD1-CB 4.14Å; L490-F504 HydrophobicContact CD1-CD2 4.25Å; L490-F504 HydrophobicContact CD1-CG 4.31Å; D491-F504 WeakPolarHBondContact O-CE2 3.34Å; V500-F504 HydrophobicContact CB-CD1 4.22Å; V500-F504 HydrophobicContact CB-CD2 3.84Å; V500-F504 HydrophobicContact CB-CE1 4.2Å; V500-F504 HydrophobicContact CB-CE2 3.81Å; V500-F504 HydrophobicContact CB-CG 4.07Å; V500-F504 HydrophobicContact CB-CZ 4Å; V500-F504 HydrophobicContact CG1-CE2 4.26Å; V500-F504 HydrophobicContact CG1-CZ 4.14Å; V500-F504 HydrophobicContact CG2-CD2 3.89Å; V500-F504 HydrophobicContact CG2-CE2 3.97Å; V500-F504 HydrophobicContact CG2-CG 4.49Å; V500-F504 VanDerWaalsContact O-CB 3.26Å; V500-F504 WeakPolarHBondContact O-CB 3.31Å; V500-F504 WeakPolarHBondContact O-CG 3.35Å; V500-F504 PolarHBondContact O-N 2.99Å; F504-L506 PolarHBondContact O-N 3.15Å; F504-A508 WeakPolarHBondContact O-CB 3.27Å; F504-A508 PolarHBondContact O-N 3.27Å
505A98.8Very high97.4Very high0 Ų026.2 Ų26.20%015%0.153CC..Hα-helixtrans-61.1-45.5177.400000111.8I467 G501 G502 G503 A508 K509 V517 V519 L536 A543I467-A505 VanDerWaalsContact CD1-CA 3.42Å; I467-A505 HydrophobicContact CD1-CB 4.05Å; G501-A505 WeakPolarHBondContact O-CB 3.3Å; G501-A505 PolarHBondContact O-N 2.69Å; G502-A505 PolarHBondContact O-N 3.45Å; G503-A505 VanDerWaalsContact C-N 3.32Å; G503-A505 PolarHBondContact O-N 3.37Å; A505-A508 PolarHBondContact O-N 3.07Å; A505-K509 WeakPolarHBondContact O-CB 3.3Å; A505-K509 PolarHBondContact O-N 3.17Å; A505-V517 HydrophobicContact CB-CG1 4.27Å; A505-V519 HydrophobicContact CB-CG2 3.81Å; A505-L536 HydrophobicContact CB-CD1 4.26Å; A505-L536 HydrophobicContact CB-CD2 4.15Å; A505-A543 HydrophobicContact CB-CB 3.77Å
506L98.6Very high97.6Very high0 Ų023.8 Ų23.80%015%0.145CC..Hα-helixtrans-63.6-49.8179.7-174.659.3000111.2F54 I76 V78 G502 G503 F504 A508 L510 L536 H539 A541F54-L506 HydrophobicContact CD1-CD2 4.26Å; F54-L506 HydrophobicContact CE1-CD2 4.34Å; F54-L506 HydrophobicContact CE1-CG 4.14Å; I76-L506 HydrophobicContact CG2-CD1 4.1Å; I76-L506 HydrophobicContact CG2-CD2 3.64Å; I76-L506 HydrophobicContact CG2-CG 4.03Å; V78-L506 HydrophobicContact CG1-CD2 3.6Å; G502-L506 PolarHBondContact O-N 3.03Å; G502-L506 VanDerWaalsContact O-N 3.14Å; G503-L506 PolarHBondContact O-N 3.07Å; F504-L506 PolarHBondContact O-N 3.15Å; L506-A508 PolarHBondContact O-N 3.48Å; L506-L510 HydrophobicContact CD1-CD1 4.23Å; L506-L510 HydrophobicContact CG-CD1 4.3Å; L506-L510 VanDerWaalsContact O-CG 3.3Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 3.07Å; L506-L510 VanDerWaalsContact O-N 3.14Å; L506-L536 HydrophobicContact CB-CD2 3.82Å; L506-L536 HydrophobicContact CD1-CD2 3.91Å; L506-L536 HydrophobicContact CG-CD2 4.47Å; L506-H539 HydrophobicContact CD1-CB 4.34Å; L506-A541 HydrophobicContact CD1-CB 3.82Å
507G98.6Very high97.9Very high0 Ų021.3 Ų21.30%012%0.12CC..Hα-helixtrans-61.4-42.3176.300000112.7G503 L510 C511G503-G507 PolarHBondContact O-N 3.28Å; G507-L510 PolarHBondContact O-N 3.21Å; G507-C511 WeakPolarHBondContact O-CB 3.42Å; G507-C511 PolarHBondContact O-N 3.33Å
508A98.7Very high98.1Very high0 Ų020.6 Ų20.60%012%0.115CC..Hα-helixtrans-64.9-46.2-179.900000112.8L94 I465 I467 L490 F504 A505 L506 L510 C511 R512 V517L94-A508 VanDerWaalsContact CD1-CA 3.43Å; L94-A508 HydrophobicContact CD1-CB 3.54Å; I465-A508 HydrophobicContact CD1-CB 3.97Å; I465-A508 HydrophobicContact CG2-CB 4.36Å; I467-A508 HydrophobicContact CD1-CB 4.14Å; L490-A508 HydrophobicContact CD1-CB 4.2Å; F504-A508 WeakPolarHBondContact O-CB 3.27Å; F504-A508 PolarHBondContact O-N 3.27Å; A505-A508 PolarHBondContact O-N 3.07Å; L506-A508 PolarHBondContact O-N 3.48Å; A508-L510 VanDerWaalsContact C-N 3.34Å; A508-L510 PolarHBondContact O-N 3.37Å; A508-C511 PolarHBondContact O-N 3.35Å; A508-R512 PolarHBondContact O-N 3.03Å; A508-V517 HydrophobicContact CB-CG1 4.35Å; A508-V517 HydrophobicContact CB-CG2 4.37Å
509K98.6Very high98.2Very high20 Ų2018.3 Ų18.39%0.08710%0.103CC..Hα-helixtrans-66.4-37.1180-172.463.2177.8-175.90111.9A505 R512 P513 A515 V517 A541 P542A505-K509 WeakPolarHBondContact O-CB 3.3Å; A505-K509 PolarHBondContact O-N 3.17Å; K509-R512 CarbonylContact O-C 3.59Å; K509-R512 PolarHBondContact O-N 3.3Å; K509-P513 WeakPolarHBondContact CE-O 3.28Å; K509-P513 PolarHBondContact NZ-O 3.44Å; K509-P513 WeakPolarHBondContact O-CA 3.37Å; K509-P513 VanDerWaalsContact O-N 3.1Å; K509-A515 PolarHBondContact NZ-O 2.84Å; K509-V517 HydrophobicContact CB-CG2 4.02Å; K509-V517 HydrophobicContact CD-CG2 3.96Å; K509-A541 HydrophobicContact CB-CB 4.12Å; K509-A541 HydrophobicContact CG-CB 3.9Å; K509-P542 WeakPolarHBondContact CD-O 3.45Å
510L98.1Very high98.2Very high19 Ų1918.1 Ų18.110%0.09910%0.101CC..Hα-helixtrans-69.6-35.8175.8-68.8170.1000112.8F52 F54 I76 L506 G507 A508 A541F52-L510 HydrophobicContact CD1-CB 4.31Å; F52-L510 HydrophobicContact CE1-CB 3.77Å; F52-L510 HydrophobicContact CE2-CB 4.44Å; F52-L510 HydrophobicContact CZ-CB 3.84Å; F54-L510 HydrophobicContact CE1-CD1 3.6Å; F54-L510 HydrophobicContact CZ-CD1 3.89Å; I76-L510 HydrophobicContact CD1-CD1 4.01Å; I76-L510 HydrophobicContact CD1-CD2 4.48Å; I76-L510 HydrophobicContact CG1-CD1 3.82Å; I76-L510 HydrophobicContact CG2-CD1 4.19Å; L506-L510 HydrophobicContact CD1-CD1 4.23Å; L506-L510 HydrophobicContact CG-CD1 4.3Å; L506-L510 VanDerWaalsContact O-CG 3.3Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 3.07Å; L506-L510 VanDerWaalsContact O-N 3.14Å; G507-L510 PolarHBondContact O-N 3.21Å; A508-L510 VanDerWaalsContact C-N 3.34Å; A508-L510 PolarHBondContact O-N 3.37Å; L510-A541 HydrophobicContact CD2-CB 4.44Å; L510-A541 HydrophobicContact CG-CB 4.5Å
511C97.7Very high98.2Very high36 Ų3618.1 Ų18.124%0.24310%0.101CC..Hα-helixtrans-70.3-34.8173.7-81.70000113.3L94 G507 A508L94-C511 HydrophobicContact CB-CB 4.18Å; L94-C511 HydrophobicContact CD1-CB 4.42Å; G507-C511 WeakPolarHBondContact O-CB 3.42Å; G507-C511 PolarHBondContact O-N 3.33Å; A508-C511 PolarHBondContact O-N 3.35Å
512R97Very high98.2Very high41 Ų4118.2 Ų18.216%0.15510%0.101CC..  trans-132.376.3-178.2-64.7176.161.6160.723.2109.9D463 I465 L487 A508 K509 N514 A515D463-R512 IonicContact OD1-CZ 3.37Å; D463-R512 IonicContact OD1-NE 2.83Å; D463-R512 PolarHBondContact OD1-NE 3.45Å; D463-R512 IonicContact OD1-NH1 3.89Å; D463-R512 IonicContact OD1-NH2 3.08Å; D463-R512 PolarHBondContact OD1-NH2 2.92Å; D463-R512 IonicContact OD2-CZ 3.29Å; D463-R512 VanDerWaalsContact OD2-CZ 3.26Å; D463-R512 IonicContact OD2-NE 3.75Å; D463-R512 PolarHBondContact OD2-NE 3.33Å; D463-R512 IonicContact OD2-NH2 2.8Å; D463-R512 PolarHBondContact OD2-NH2 3.44Å; I465-R512 HydrophobicContact CD1-CB 4.01Å; I465-R512 HydrophobicContact CD1-CG 4.29Å; L487-R512 PolarHBondContact O-NH1 2.93Å; A508-R512 PolarHBondContact O-N 3.03Å; K509-R512 CarbonylContact O-C 3.59Å; K509-R512 PolarHBondContact O-N 3.3Å; R512-N514 PolarHBondContact O-N 3.24Å; R512-N514 VanDerWaalsContact O-N 3.11Å; R512-A515 HydrophobicContact CB-CB 3.79Å; R512-A515 VanDerWaalsContact O-CB 3.32Å; R512-A515 WeakPolarHBondContact O-CB 3.14Å; R512-A515 PolarHBondContact O-N 3.42Å
513P97.1Very high98.2Very high83 Ų8318.4 Ų18.454%0.53910%0.102SC..THydrogen-bonded Turntrans-58-29.9-173.7-27.936.6000114.8K509K509-P513 WeakPolarHBondContact CE-O 3.28Å; K509-P513 PolarHBondContact NZ-O 3.44Å; K509-P513 WeakPolarHBondContact O-CA 3.37Å; K509-P513 VanDerWaalsContact O-N 3.1Å
514N96.1Very high98.1Very high150 Ų15018.7 Ų18.780%0.80211%0.106SC*.THydrogen-bonded Turntrans-83.9-10.8179.2-61.9-20.5000113.2R512R512-N514 PolarHBondContact O-N 3.24Å; R512-N514 VanDerWaalsContact O-N 3.11Å
515A97.6Very high98Very high0 Ų018.8 Ų18.80%011%0.106CC..SBendtrans-74.7141.1179.200000111.4D463 I465 K509 R512 V517D463-A515 HydrophobicContact CB-CB 4.13Å; D463-A515 VanDerWaalsContact CG-CB 3.47Å; D463-A515 WeakPolarHBondContact O-CA 3.37Å; I465-A515 HydrophobicContact CD1-CB 3.93Å; I465-A515 HydrophobicContact CG1-CB 4.03Å; K509-A515 PolarHBondContact NZ-O 2.84Å; R512-A515 HydrophobicContact CB-CB 3.79Å; R512-A515 VanDerWaalsContact O-CB 3.32Å; R512-A515 WeakPolarHBondContact O-CB 3.14Å; R512-A515 PolarHBondContact O-N 3.42Å; A515-V517 PolarHBondContact O-N 3.25Å
516T98.2Very high97.9Very high29 Ų2918.8 Ų18.818%0.17811%0.106CC..EExtended strand (participates in β ladder)trans-80.4114.5163-56.60000108.7D463 S464 I465 W518 I544 K624D463-T516 PolarHBondContact O-N 2.91Å; S464-T516 VanDerWaalsContact CA-O 3.26Å; S464-T516 WeakPolarHBondContact CA-O 3.49Å; I465-T516 PolarHBondContact N-O 3.28Å; T516-W518 HydrophobicContact CG2-CZ2 4.3Å; T516-W518 VanDerWaalsContact CG2-NE1 3.29Å; T516-I544 HydrophobicContact CG2-CD1 3.62Å; T516-K624 HydrophobicContact CG2-CG 4.44Å
517V98.7Very high97.7Very high0 Ų021.4 Ų21.40%013%0.133CC..EExtended strand (participates in β ladder)trans-96.4117.1-177.1-1790000109.5I465 I467 A505 A508 K509 A515 A543 I544I465-V517 HydrophobicContact CB-CG2 4.48Å; I465-V517 HydrophobicContact CD1-CG2 4.33Å; I467-V517 HydrophobicContact CD1-CG1 3.58Å; I467-V517 HydrophobicContact CG1-CG1 4.34Å; A505-V517 HydrophobicContact CB-CG1 4.27Å; A508-V517 HydrophobicContact CB-CG1 4.35Å; A508-V517 HydrophobicContact CB-CG2 4.37Å; K509-V517 HydrophobicContact CB-CG2 4.02Å; K509-V517 HydrophobicContact CD-CG2 3.96Å; A515-V517 PolarHBondContact O-N 3.25Å; V517-A543 HydrophobicContact CB-CB 4.01Å; V517-A543 HydrophobicContact CG1-CB 3.94Å; V517-A543 CarbonylContact O-C 3.58Å; V517-A543 WeakPolarHBondContact O-CA 3.45Å; V517-I544 PolarHBondContact O-N 2.93Å
518W98.7Very high97.7Very high2 Ų227.8 Ų27.81%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-107.3130.5178-65.687.4000109.9L451 G455 L456 I465 I466 I467 T516 I544 V546 F620 V623 K624L451-W518 HydrophobicContact CD1-CD2 4.33Å; L451-W518 HydrophobicContact CD1-CE3 3.8Å; L451-W518 HydrophobicContact CD1-CH2 4.38Å; L451-W518 HydrophobicContact CD1-CZ3 3.83Å; G455-W518 WeakPolarHBondContact O-CZ2 3.24Å; L456-W518 HydrophobicContact CD2-CB 4.41Å; L456-W518 VanDerWaalsContact CD2-CD1 3.45Å; L456-W518 HydrophobicContact CD2-CD2 4.28Å; L456-W518 HydrophobicContact CD2-CG 3.81Å; I465-W518 PolarHBondContact O-N 3.04Å; I466-W518 CarbonylContact C-O 3.59Å; I467-W518 PolarHBondContact N-O 3.26Å; T516-W518 HydrophobicContact CG2-CZ2 4.3Å; T516-W518 VanDerWaalsContact CG2-NE1 3.29Å; W518-I544 CarbonylContact C-O 3.58Å; W518-I544 WeakPolarHBondContact CA-O 3.38Å; W518-I544 HydrophobicContact CD2-CB 4.26Å; W518-I544 HydrophobicContact CD2-CD1 4.12Å; W518-I544 HydrophobicContact CD2-CG2 4.48Å; W518-I544 HydrophobicContact CE3-CB 3.85Å; W518-I544 HydrophobicContact CE3-CD1 4.2Å; W518-I544 HydrophobicContact CE3-CG2 3.62Å; W518-I544 HydrophobicContact CH2-CD1 3.81Å; W518-I544 HydrophobicContact CH2-CG2 4.2Å; W518-I544 HydrophobicContact CZ2-CD1 3.71Å; W518-I544 HydrophobicContact CZ3-CB 4.1Å; W518-I544 HydrophobicContact CZ3-CD1 4.06Å; W518-I544 HydrophobicContact CZ3-CG2 3.46Å; W518-I544 VanDerWaalsContact CZ3-CG2 3.46Å; W518-V546 HydrophobicContact CE3-CG2 3.86Å; W518-V546 HydrophobicContact CZ3-CG2 3.95Å; W518-F620 HydrophobicContact CH2-CB 4.34Å; W518-F620 AromaticContact CH2-CD1 3.95Å; W518-F620 HydrophobicContact CH2-CD1 3.95Å; W518-F620 HydrophobicContact CH2-CG 4.33Å; W518-F620 AromaticContact CZ3-CD1 3.94Å; W518-F620 HydrophobicContact CZ3-CD1 3.94Å; W518-F620 HydrophobicContact CZ3-CE1 4.26Å; W518-V623 HydrophobicContact CH2-CG2 3.82Å; W518-V623 HydrophobicContact CZ3-CG2 4.16Å; W518-K624 HydrophobicContact CH2-CG 4.34Å; W518-K624 HydrophobicContact CZ2-CD 4.16Å; W518-K624 HydrophobicContact CZ2-CG 3.76Å
519V98.8Very high97.6Very high0 Ų027.8 Ų27.80%016%0.158CC..EExtended strand (participates in β ladder)trans-115.2115.2173.9-165.50000109I467 A505 Y521 W533 A543 I544 A545 V546I467-V519 HydrophobicContact CB-CB 4.41Å; I467-V519 HydrophobicContact CB-CG1 4.14Å; I467-V519 HydrophobicContact CB-CG2 4.16Å; I467-V519 HydrophobicContact CD1-CG2 4.17Å; I467-V519 HydrophobicContact CG2-CG1 4.05Å; I467-V519 CarbonylContact O-C 3.6Å; I467-V519 WeakPolarHBondContact O-CA 3.36Å; A505-V519 HydrophobicContact CB-CG2 3.81Å; V519-Y521 HydrophobicContact CB-CD2 4.12Å; V519-Y521 HydrophobicContact CB-CE2 3.72Å; V519-Y521 HydrophobicContact CG1-CD1 4.37Å; V519-Y521 HydrophobicContact CG1-CD2 3.69Å; V519-Y521 HydrophobicContact CG1-CE1 4Å; V519-Y521 HydrophobicContact CG1-CE2 3.26Å; V519-Y521 HydrophobicContact CG1-CG 4.23Å; V519-Y521 VanDerWaalsContact CG1-CZ 3.43Å; V519-W533 HydrophobicContact CB-CH2 4.2Å; V519-W533 HydrophobicContact CG2-CH2 3.91Å; V519-W533 HydrophobicContact CG2-CZ2 4.4Å; V519-A543 HydrophobicContact CG2-CB 4.4Å; V519-I544 PolarHBondContact N-O 2.92Å; V519-A545 CarbonylContact O-C 3.55Å; V519-A545 WeakPolarHBondContact O-CA 3.29Å; V519-V546 PolarHBondContact O-N 3.47Å
520I98.7Very high97.5Very high1 Ų127.2 Ų27.21%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-92.7118.5174-52178.9000107.2L448 L451 I466 I467 D469 F473 V474 A477 V481 V546L448-I520 HydrophobicContact CD2-CG2 4.39Å; L451-I520 HydrophobicContact CD2-CD1 3.76Å; L451-I520 HydrophobicContact CD2-CG1 4.01Å; I466-I520 HydrophobicContact CG2-CD1 3.84Å; I466-I520 HydrophobicContact CG2-CG1 4.28Å; I467-I520 PolarHBondContact O-N 2.96Å; D469-I520 PolarHBondContact N-O 3.07Å; F473-I520 HydrophobicContact CD1-CG2 3.69Å; F473-I520 HydrophobicContact CE1-CG2 3.58Å; V474-I520 HydrophobicContact CG2-CB 4.34Å; V474-I520 HydrophobicContact CG2-CG2 3.9Å; V474-I520 WeakPolarHBondContact CG2-O 3.31Å; A477-I520 HydrophobicContact CB-CD1 3.99Å; A477-I520 HydrophobicContact CB-CG2 4.12Å; V481-I520 HydrophobicContact CG1-CD1 4.15Å; V481-I520 HydrophobicContact CG2-CD1 3.9Å; I520-V546 WeakPolarHBondContact CA-O 3.46Å
521Y98.4Very high97.4Very high0 Ų028.5 Ų28.50%016%0.164CC..EExtended strand (participates in β ladder)trans-116.7147.7-178.9-76.8-73.9000111.4D469 F473 G501 G502 V519 A526 S529 W533 A545 V546 I547 G548D469-Y521 HydrophobicContact CB-CD1 3.73Å; D469-Y521 HydrophobicContact CB-CE1 3.75Å; D469-Y521 VanDerWaalsContact OD2-CE1 3.31Å; D469-Y521 WeakPolarHBondContact OD2-CE1 3.21Å; F473-Y521 WeakPolarHBondContact CD1-O 3.33Å; G501-Y521 VanDerWaalsContact CA-OH 3.31Å; G501-Y521 WeakPolarHBondContact CA-OH 3.38Å; G502-Y521 PolarHBondContact N-OH 3.29Å; V519-Y521 HydrophobicContact CB-CD2 4.12Å; V519-Y521 HydrophobicContact CB-CE2 3.72Å; V519-Y521 HydrophobicContact CG1-CD1 4.37Å; V519-Y521 HydrophobicContact CG1-CD2 3.69Å; V519-Y521 HydrophobicContact CG1-CE1 4Å; V519-Y521 HydrophobicContact CG1-CE2 3.26Å; V519-Y521 HydrophobicContact CG1-CG 4.23Å; V519-Y521 VanDerWaalsContact CG1-CZ 3.43Å; Y521-A526 HydrophobicContact CD1-CB 4.07Å; Y521-A526 HydrophobicContact CD2-CB 4.46Å; Y521-A526 HydrophobicContact CG-CB 3.96Å; Y521-S529 PolarHBondContact OH-OG 2.86Å; Y521-S529 VanDerWaalsContact OH-OG 3.1Å; Y521-W533 AromaticContact CE2-CH2 3.58Å; Y521-W533 HydrophobicContact CE2-CH2 3.58Å; Y521-W533 HydrophobicContact CE2-CZ2 4.31Å; Y521-W533 HydrophobicContact CE2-CZ3 4.04Å; Y521-W533 AromaticContact CZ-CH2 3.98Å; Y521-W533 WeakPolarHBondContact OH-CH2 3.37Å; Y521-W533 WeakPolarHBondContact OH-CZ3 3.4Å; Y521-A545 HydrophobicContact CD2-CB 4.04Å; Y521-A545 HydrophobicContact CE2-CB 4.05Å; Y521-V546 PolarHBondContact N-O 2.97Å; Y521-I547 HydrophobicContact CD2-CG1 4.21Å; Y521-G548 PolarHBondContact O-N 3.43Å
522G97.9Very high97.4Very high1 Ų126.8 Ų26.81%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-77.6150144.700000110.2D469 G470 G524 S525 A526D469-G522 PolarHBondContact O-N 3.48Å; G470-G522 PolarHBondContact O-N 2.8Å; G522-G524 VanDerWaalsContact C-N 3.26Å; G522-G524 PolarHBondContact O-N 3.42Å; G522-S525 PolarHBondContact N-OG 3.37Å; G522-S525 PolarHBondContact O-N 3.4Å; G522-S525 PolarHBondContact O-OG 2.78Å; G522-A526 PolarHBondContact O-N 2.93Å
523D97.4Very high97.3Very high4 Ų424.8 Ų24.82%0.02115%0.145CC..Hα-helixtrans-49.4-44.5173.758.2-20.3000113.8S525 A526 G527 I547 G548 N549 A551 C552 Y577D523-S525 PolarHBondContact O-N 2.88Å; D523-A526 WeakPolarHBondContact O-CB 3.41Å; D523-A526 PolarHBondContact O-N 2.68Å; D523-G527 PolarHBondContact O-N 2.65Å; D523-I547 HydrophobicContact CB-CG2 4.21Å; D523-G548 PolarHBondContact N-O 3.1Å; D523-N549 HydrophobicContact CB-CB 4.13Å; D523-A551 WeakPolarHBondContact OD2-CA 3.29Å; D523-A551 PolarHBondContact OD2-N 3.3Å; D523-A551 VanDerWaalsContact OD2-N 3.1Å; D523-C552 PolarHBondContact OD2-N 3.34Å; D523-Y577 HydrophobicContact CB-CE2 3.78Å; D523-Y577 PolarHBondContact O-OH 3.09Å
524G96.9Very high97.2Very high7 Ų722 Ų227%0.07213%0.126CC..Hα-helixtrans-62.1-43.4178.400000113.1G522 G527 W553G522-G524 VanDerWaalsContact C-N 3.26Å; G522-G524 PolarHBondContact O-N 3.42Å; G524-G527 PolarHBondContact O-N 2.88Å; G524-W553 VanDerWaalsContact O-CH2 3.26Å; G524-W553 WeakPolarHBondContact O-CH2 3.46Å
525S97.4Very high97.3Very high1 Ų114.9 Ų14.91%0.0079%0.088CC..Hα-helixtrans-73.5-33.7177.450.60000112.4D469 G470 G522 D523 G527 Y528D469-S525 VanDerWaalsContact O-CB 3.28Å; D469-S525 WeakPolarHBondContact O-CB 3.39Å; D469-S525 PolarHBondContact O-OG 3.11Å; G470-S525 PolarHBondContact O-OG 2.93Å; G522-S525 PolarHBondContact N-OG 3.37Å; G522-S525 PolarHBondContact O-N 3.4Å; G522-S525 PolarHBondContact O-OG 2.78Å; D523-S525 PolarHBondContact O-N 2.88Å; S525-G527 PolarHBondContact O-N 3.25Å; S525-Y528 WeakPolarHBondContact O-CB 3.49Å; S525-Y528 PolarHBondContact O-N 2.92Å
526A97.2Very high97.2Very high0 Ų014.9 Ų14.90%09%0.088CC..Hα-helixtrans-54.7-38173.600000111.3Y521 G522 D523 Y528 S529 L530 I547Y521-A526 HydrophobicContact CD1-CB 4.07Å; Y521-A526 HydrophobicContact CD2-CB 4.46Å; Y521-A526 HydrophobicContact CG-CB 3.96Å; G522-A526 PolarHBondContact O-N 2.93Å; D523-A526 WeakPolarHBondContact O-CB 3.41Å; D523-A526 PolarHBondContact O-N 2.68Å; A526-Y528 PolarHBondContact O-N 3Å; A526-S529 PolarHBondContact O-N 2.87Å; A526-L530 WeakPolarHBondContact O-CB 3.29Å; A526-L530 PolarHBondContact O-N 3.49Å; A526-I547 HydrophobicContact CB-CD1 3.93Å; A526-I547 HydrophobicContact CB-CG1 4.21Å; A526-I547 HydrophobicContact CB-CG2 4.2Å
527G94.8Very high97Very high55 Ų5514 Ų1457%0.5678%0.083SC*.Hα-helixtrans-55.2-22.6176.400000115.5D523 G524 S525D523-G527 PolarHBondContact O-N 2.65Å; G524-G527 PolarHBondContact O-N 2.88Å; S525-G527 PolarHBondContact O-N 3.25Å
528Y97Very high96.8Very high135 Ų13517.1 Ų17.153%0.52910%0.095SC..Hα-helixtrans-80.6-39-179.6-79.4-98.2000113.9L498 G499 S525 A526 W553L498-Y528 HydrophobicContact CB-CD2 4.07Å; L498-Y528 HydrophobicContact CB-CE2 4.08Å; L498-Y528 HydrophobicContact CB-CG 4.49Å; L498-Y528 HydrophobicContact CD1-CE2 3.94Å; G499-Y528 VanDerWaalsContact CA-CB 3.43Å; S525-Y528 WeakPolarHBondContact O-CB 3.49Å; S525-Y528 PolarHBondContact O-N 2.92Å; A526-Y528 PolarHBondContact O-N 3Å; Y528-W553 HydrophobicContact CE2-CH2 4.05Å
529S97Very high96.6Very high0 Ų018.2 Ų18.20%010%0.1CC..Hα-helixtrans-132.33.6-167.365.20000115.3G499 G502 Y521 A526 V531 E532G499-S529 WeakPolarHBondContact O-CB 3.24Å; G502-S529 PolarHBondContact N-OG 2.96Å; Y521-S529 PolarHBondContact OH-OG 2.86Å; Y521-S529 VanDerWaalsContact OH-OG 3.1Å; A526-S529 PolarHBondContact O-N 2.87Å; S529-V531 PolarHBondContact O-N 3.45Å; S529-V531 VanDerWaalsContact O-N 3.16Å; S529-E532 WeakPolarHBondContact O-CB 3.22Å; S529-E532 PolarHBondContact O-N 3.14Å
530L96Very high96.3Very high8 Ų824.5 Ų24.54%0.04213%0.129CC..G310 helixtrans-61.6-22.3175.9-165.464.9000112.3A526 E532 W533 I547 Y577 V580 V634A526-L530 WeakPolarHBondContact O-CB 3.29Å; A526-L530 PolarHBondContact O-N 3.49Å; L530-E532 PolarHBondContact O-N 3.05Å; L530-W533 HydrophobicContact CD1-CD2 3.89Å; L530-W533 HydrophobicContact CD1-CE3 3.95Å; L530-W533 HydrophobicContact CD1-CG 4.29Å; L530-W533 HydrophobicContact CD1-CZ3 4.42Å; L530-W533 WeakPolarHBondContact O-CB 3.49Å; L530-W533 PolarHBondContact O-N 3.25Å; L530-I547 HydrophobicContact CD1-CD1 4.43Å; L530-I547 HydrophobicContact CD2-CD1 4.32Å; L530-Y577 HydrophobicContact CD2-CD1 3.65Å; L530-Y577 HydrophobicContact CD2-CG 4.32Å; L530-V580 HydrophobicContact CD2-CB 3.7Å; L530-V580 HydrophobicContact CD2-CG1 3.66Å; L530-V580 HydrophobicContact CD2-CG2 4.12Å; L530-V580 HydrophobicContact CG-CB 4.32Å; L530-V580 HydrophobicContact CG-CG1 3.76Å; L530-V634 HydrophobicContact CD1-CG2 3.98Å
531V96.3Very high96.2Very high45 Ų4524.5 Ų24.527%0.27313%0.129SC..G310 helixtrans-57.2-25.7171.1720000113.6R79 S529 W533 D534 Y584R79-V531 HydrophobicContact CB-CB 4.49Å; R79-V531 HydrophobicContact CB-CG1 3.96Å; R79-V531 HydrophobicContact CB-CG2 3.84Å; R79-V531 HydrophobicContact CG-CG2 4Å; S529-V531 PolarHBondContact O-N 3.45Å; S529-V531 VanDerWaalsContact O-N 3.16Å; V531-W533 PolarHBondContact O-N 3.25Å; V531-D534 WeakPolarHBondContact O-CB 3.45Å; V531-D534 PolarHBondContact O-N 3.31Å; V531-Y584 VanDerWaalsContact CA-CE2 3.49Å; V531-Y584 HydrophobicContact CB-CE2 4.19Å; V531-Y584 HydrophobicContact CG2-CE2 4.13Å
532E97.5Very high96.1Very high0 Ų024.6 Ų24.60%013%0.13CC..G310 helixtrans-74.7-5.3177.1-58.5-59.2164.100113.6V78 R79 N80 S83 S529 L530 D534 S535 L536V78-E532 WeakPolarHBondContact CB-OE2 3.46Å; R79-E532 PolarHBondContact N-OE1 3.24Å; R79-E532 VanDerWaalsContact N-OE1 3.07Å; R79-E532 PolarHBondContact N-OE2 2.87Å; N80-E532 PolarHBondContact N-OE1 3.08Å; S83-E532 WeakPolarHBondContact CB-OE1 3.26Å; S83-E532 VanDerWaalsContact OG-CD 3.32Å; S83-E532 VanDerWaalsContact OG-CG 3.31Å; S83-E532 WeakPolarHBondContact OG-CG 3.39Å; S83-E532 PolarHBondContact OG-OE1 3.32Å; S529-E532 WeakPolarHBondContact O-CB 3.22Å; S529-E532 PolarHBondContact O-N 3.14Å; L530-E532 PolarHBondContact O-N 3.05Å; E532-D534 PolarHBondContact O-N 3.04Å; E532-S535 CarbonylContact O-C 3.6Å; E532-S535 WeakPolarHBondContact O-CA 3.42Å; E532-S535 WeakPolarHBondContact O-CB 3.39Å; E532-S535 PolarHBondContact O-N 3.29Å; E532-S535 VanDerWaalsContact OE2-CB 3.22Å; E532-S535 WeakPolarHBondContact OE2-CB 3.35Å; E532-S535 PolarHBondContact OE2-OG 2.72Å; E532-L536 WeakPolarHBondContact O-CG 3.41Å; E532-L536 PolarHBondContact O-N 2.99Å
533W96.3Very high96.1Very high0 Ų024.6 Ų24.60%013%0.129CC..Hα-helixtrans-61.4-24.3169.4-95.4-124.3000111.7V519 Y521 L530 V531 L536 S537 A543 A545 Y584 S633 V634V519-W533 HydrophobicContact CB-CH2 4.2Å; V519-W533 HydrophobicContact CG2-CH2 3.91Å; V519-W533 HydrophobicContact CG2-CZ2 4.4Å; Y521-W533 AromaticContact CE2-CH2 3.58Å; Y521-W533 HydrophobicContact CE2-CH2 3.58Å; Y521-W533 HydrophobicContact CE2-CZ2 4.31Å; Y521-W533 HydrophobicContact CE2-CZ3 4.04Å; Y521-W533 AromaticContact CZ-CH2 3.98Å; Y521-W533 WeakPolarHBondContact OH-CH2 3.37Å; Y521-W533 WeakPolarHBondContact OH-CZ3 3.4Å; L530-W533 HydrophobicContact CD1-CD2 3.89Å; L530-W533 HydrophobicContact CD1-CE3 3.95Å; L530-W533 HydrophobicContact CD1-CG 4.29Å; L530-W533 HydrophobicContact CD1-CZ3 4.42Å; L530-W533 WeakPolarHBondContact O-CB 3.49Å; L530-W533 PolarHBondContact O-N 3.25Å; V531-W533 PolarHBondContact O-N 3.25Å; W533-L536 HydrophobicContact CD2-CD1 3.78Å; W533-L536 HydrophobicContact CE3-CD1 3.77Å; W533-L536 HydrophobicContact CG-CD1 4.3Å; W533-L536 HydrophobicContact CH2-CD1 4.2Å; W533-L536 HydrophobicContact CZ2-CD1 4.24Å; W533-L536 HydrophobicContact CZ3-CD1 3.99Å; W533-S537 WeakPolarHBondContact O-CB 3.37Å; W533-S537 PolarHBondContact O-N 2.84Å; W533-S537 VanDerWaalsContact O-N 3.11Å; W533-A543 HydrophobicContact CZ2-CB 4.47Å; W533-A545 HydrophobicContact CH2-CB 4.15Å; W533-A545 HydrophobicContact CZ2-CB 3.41Å; W533-A545 VanDerWaalsContact CZ2-CB 3.41Å; W533-Y584 HydrophobicContact CB-CD2 4.47Å; W533-S633 PolarHBondContact NE1-O 3.32Å; W533-V634 HydrophobicContact CG-CG2 4.4Å
534D95.2Very high96.1Very high24 Ų2424.4 Ų24.413%0.12813%0.128CC..Hα-helixtrans-68.9-45.4169.3166.4101.9000110.9R79 V531 E532 S537 R538 Y584R79-D534 IonicContact CZ-OD1 3.2Å; R79-D534 IonicContact CZ-OD2 2.75Å; R79-D534 IonicContact NE-OD1 2.73Å; R79-D534 IonicContact NE-OD2 3.54Å; R79-D534 PolarHBondContact NE-OD2 2.88Å; R79-D534 IonicContact NH2-OD1 2.9Å; R79-D534 PolarHBondContact NH2-OD1 2.94Å; R79-D534 IonicContact NH2-OD2 2.74Å; R79-D534 PolarHBondContact NH2-OD2 3.28Å; V531-D534 WeakPolarHBondContact O-CB 3.45Å; V531-D534 PolarHBondContact O-N 3.31Å; E532-D534 PolarHBondContact O-N 3.04Å; D534-S537 WeakPolarHBondContact O-CB 3.47Å; D534-S537 PolarHBondContact O-N 3.12Å; D534-R538 WeakPolarHBondContact O-CG 2.9Å; D534-R538 PolarHBondContact O-N 3.48Å; D534-R538 IonicContact OD2-CZ 3.8Å; D534-R538 IonicContact OD2-NE 2.85Å; D534-R538 PolarHBondContact OD2-NE 3.34Å; D534-R538 IonicContact OD2-NH2 3.2Å; D534-R538 PolarHBondContact OD2-NH2 2.87Å; D534-Y584 HydrophobicContact CB-CD1 4.14Å; D534-Y584 HydrophobicContact CB-CG 4.02Å
535S96.4Very high96.2Very high0 Ų024 Ų240%013%0.125CC..Hα-helixtrans-63.4-43.9176.3-52.30000112E532 S537 R538 H539E532-S535 CarbonylContact O-C 3.6Å; E532-S535 WeakPolarHBondContact O-CA 3.42Å; E532-S535 WeakPolarHBondContact O-CB 3.39Å; E532-S535 PolarHBondContact O-N 3.29Å; E532-S535 VanDerWaalsContact OE2-CB 3.22Å; E532-S535 WeakPolarHBondContact OE2-CB 3.35Å; E532-S535 PolarHBondContact OE2-OG 2.72Å; S535-S537 VanDerWaalsContact C-N 3.27Å; S535-S537 PolarHBondContact O-N 2.99Å; S535-R538 PolarHBondContact O-N 2.79Å; S535-R538 PolarHBondContact OG-NH2 3.45Å; S535-H539 WeakPolarHBondContact O-CB 3.2Å; S535-H539 PolarHBondContact O-CD2 2.82Å; S535-H539 VanDerWaalsContact O-CD2 3.26Å; S535-H539 PolarHBondContact O-N 2.77Å
536L96.7Very high96.2Very high0 Ų024 Ų240%012%0.124CC..Hα-helixtrans-57.8-41.2174.4-66.1168.4000111.1A505 L506 E532 W533 H540 A541 A543 P632A505-L536 HydrophobicContact CB-CD1 4.26Å; A505-L536 HydrophobicContact CB-CD2 4.15Å; L506-L536 HydrophobicContact CB-CD2 3.82Å; L506-L536 HydrophobicContact CD1-CD2 3.91Å; L506-L536 HydrophobicContact CG-CD2 4.47Å; E532-L536 WeakPolarHBondContact O-CG 3.41Å; E532-L536 PolarHBondContact O-N 2.99Å; W533-L536 HydrophobicContact CD2-CD1 3.78Å; W533-L536 HydrophobicContact CE3-CD1 3.77Å; W533-L536 HydrophobicContact CG-CD1 4.3Å; W533-L536 HydrophobicContact CH2-CD1 4.2Å; W533-L536 HydrophobicContact CZ2-CD1 4.24Å; W533-L536 HydrophobicContact CZ3-CD1 3.99Å; L536-H540 PolarHBondContact O-N 3.28Å; L536-A541 WeakPolarHBondContact CB-O 3.43Å; L536-A541 HydrophobicContact CD2-CB 4.41Å; L536-A541 WeakPolarHBondContact CD2-O 3.11Å; L536-A541 PolarHBondContact O-N 3.11Å; L536-A543 HydrophobicContact CD1-CB 4.06Å; L536-P632 HydrophobicContact CB-CB 4.22Å; L536-P632 HydrophobicContact CB-CG 4.09Å
537S93.6Very high96.3Very high11 Ų1124 Ų248%0.07712%0.124CC..Hα-helixtrans-65.9-53.2176.7-169.70000111.8W533 D534 S535 H539 H540 R586W533-S537 WeakPolarHBondContact O-CB 3.37Å; W533-S537 PolarHBondContact O-N 2.84Å; W533-S537 VanDerWaalsContact O-N 3.11Å; D534-S537 WeakPolarHBondContact O-CB 3.47Å; D534-S537 PolarHBondContact O-N 3.12Å; S535-S537 VanDerWaalsContact C-N 3.27Å; S535-S537 PolarHBondContact O-N 2.99Å; S537-H539 VanDerWaalsContact C-N 3.27Å; S537-H539 PolarHBondContact O-N 2.96Å; S537-H540 PolarHBondContact O-N 3.31Å; S537-H540 VanDerWaalsContact O-N 3.12Å; S537-R586 PolarHBondContact OG-O 3.31Å; S537-R586 VanDerWaalsContact OG-O 3.13Å
538R93.9Very high96.5Very high65 Ų6521.4 Ų21.425%0.24510%0.097CC..Hα-helixtrans-58.4-38.5-179.5-71.1-178.4-62100.1-6.1112.6D77 D534 S535 H540D77-R538 PolarHBondContact O-NH1 2.94Å; D77-R538 PolarHBondContact O-NH2 3.18Å; D77-R538 IonicContact OD1-CZ 3.61Å; D77-R538 IonicContact OD1-NH1 3.9Å; D77-R538 PolarHBondContact OD1-NH1 2.96Å; D77-R538 IonicContact OD2-CZ 3.54Å; D77-R538 VanDerWaalsContact OD2-CZ 3.3Å; D77-R538 IonicContact OD2-NH1 2.74Å; D77-R538 PolarHBondContact OD2-NH1 3.04Å; D77-R538 IonicContact OD2-NH2 2.8Å; D77-R538 PolarHBondContact OD2-NH2 3.06Å; D534-R538 WeakPolarHBondContact O-CG 2.9Å; D534-R538 PolarHBondContact O-N 3.48Å; D534-R538 IonicContact OD2-CZ 3.8Å; D534-R538 IonicContact OD2-NE 2.85Å; D534-R538 PolarHBondContact OD2-NE 3.34Å; D534-R538 IonicContact OD2-NH2 3.2Å; D534-R538 PolarHBondContact OD2-NH2 2.87Å; S535-R538 PolarHBondContact O-N 2.79Å; S535-R538 PolarHBondContact OG-NH2 3.45Å; R538-H540 PolarHBondContact O-ND1 3.17Å
539H95.4Very high96.5Very high25 Ų2515 Ų1512%0.1167%0.072CC..THydrogen-bonded Turntrans-90.86.1-178.2-71-67.6000114.5D77 L506 S535 S537 A541D77-H539 PolarHBondContact N-NE2 3.46Å; D77-H539 PolarHBondContact O-NE2 3.31Å; D77-H539 IonicContact OD1-CE1 3.35Å; D77-H539 PolarHBondContact OD1-CE1 3.16Å; D77-H539 VanDerWaalsContact OD1-CE1 3.25Å; D77-H539 IonicContact OD1-NE2 2.72Å; D77-H539 PolarHBondContact OD1-NE2 3.04Å; L506-H539 HydrophobicContact CD1-CB 4.34Å; S535-H539 WeakPolarHBondContact O-CB 3.2Å; S535-H539 PolarHBondContact O-CD2 2.82Å; S535-H539 VanDerWaalsContact O-CD2 3.26Å; S535-H539 PolarHBondContact O-N 2.77Å; S537-H539 VanDerWaalsContact C-N 3.27Å; S537-H539 PolarHBondContact O-N 2.96Å; H539-A541 HydrophobicContact CB-CB 4.44Å; H539-A541 PolarHBondContact O-N 2.92Å
540H93.4Very high96.5Very high133 Ų13315.9 Ų15.962%0.6168%0.077SC*.THydrogen-bonded Turntrans51.439.7-178-57.575.3000112.1L536 S537 R538 P542L536-H540 PolarHBondContact O-N 3.28Å; S537-H540 PolarHBondContact O-N 3.31Å; S537-H540 VanDerWaalsContact O-N 3.12Å; R538-H540 PolarHBondContact O-ND1 3.17Å; H540-P542 VanDerWaalsContact O-CD 3.23Å; H540-P542 WeakPolarHBondContact O-CD 3.46Å
541A96.3Very high96.5Very high1 Ų116 Ų161%0.0088%0.08CC..  trans-116.967.6-176.800000109.1L506 K509 L510 L536 H539L506-A541 HydrophobicContact CD1-CB 3.82Å; K509-A541 HydrophobicContact CB-CB 4.12Å; K509-A541 HydrophobicContact CG-CB 3.9Å; L510-A541 HydrophobicContact CD2-CB 4.44Å; L510-A541 HydrophobicContact CG-CB 4.5Å; L536-A541 WeakPolarHBondContact CB-O 3.43Å; L536-A541 HydrophobicContact CD2-CB 4.41Å; L536-A541 WeakPolarHBondContact CD2-O 3.11Å; L536-A541 PolarHBondContact O-N 3.11Å; H539-A541 HydrophobicContact CB-CB 4.44Å; H539-A541 PolarHBondContact O-N 2.92Å
542P95.4Very high96.6Very high2 Ų214.9 Ų14.91%0.0137%0.073CC..  trans-66.6144.4-17229.6-39.3000113.3K509 H540 S627 I631 P632K509-P542 WeakPolarHBondContact CD-O 3.45Å; H540-P542 VanDerWaalsContact O-CD 3.23Å; H540-P542 WeakPolarHBondContact O-CD 3.46Å; P542-S627 WeakPolarHBondContact CG-O 3.26Å; P542-I631 VanDerWaalsContact CB-C 3.49Å; P542-P632 HydrophobicContact CB-CB 4.41Å
543A98Very high96.4Very high0 Ų018.3 Ų18.30%09%0.086CC..  trans-137.1162166.100000110A505 V517 V519 W533 L536 P632 S633A505-A543 HydrophobicContact CB-CB 3.77Å; V517-A543 HydrophobicContact CB-CB 4.01Å; V517-A543 HydrophobicContact CG1-CB 3.94Å; V517-A543 CarbonylContact O-C 3.58Å; V517-A543 WeakPolarHBondContact O-CA 3.45Å; V519-A543 HydrophobicContact CG2-CB 4.4Å; W533-A543 HydrophobicContact CZ2-CB 4.47Å; L536-A543 HydrophobicContact CD1-CB 4.06Å; A543-P632 WeakPolarHBondContact O-CA 3.01Å; A543-S633 PolarHBondContact O-N 2.85Å; A543-S633 VanDerWaalsContact O-N 3.09Å
544I97.9Very high96.3Very high0 Ų019.1 Ų19.10%09%0.092CC..EExtended strand (participates in β ladder)trans-112.2115.3-178.6-55.6164.6000107.9T516 V517 W518 V519 V623 K624T516-I544 HydrophobicContact CG2-CD1 3.62Å; V517-I544 PolarHBondContact O-N 2.93Å; W518-I544 CarbonylContact C-O 3.58Å; W518-I544 WeakPolarHBondContact CA-O 3.38Å; W518-I544 HydrophobicContact CD2-CB 4.26Å; W518-I544 HydrophobicContact CD2-CD1 4.12Å; W518-I544 HydrophobicContact CD2-CG2 4.48Å; W518-I544 HydrophobicContact CE3-CB 3.85Å; W518-I544 HydrophobicContact CE3-CD1 4.2Å; W518-I544 HydrophobicContact CE3-CG2 3.62Å; W518-I544 HydrophobicContact CH2-CD1 3.81Å; W518-I544 HydrophobicContact CH2-CG2 4.2Å; W518-I544 HydrophobicContact CZ2-CD1 3.71Å; W518-I544 HydrophobicContact CZ3-CB 4.1Å; W518-I544 HydrophobicContact CZ3-CD1 4.06Å; W518-I544 HydrophobicContact CZ3-CG2 3.46Å; W518-I544 VanDerWaalsContact CZ3-CG2 3.46Å; V519-I544 PolarHBondContact N-O 2.92Å; I544-V623 HydrophobicContact CD1-CB 4.14Å; I544-V623 HydrophobicContact CD1-CG2 3.92Å; I544-V623 HydrophobicContact CG1-CB 4.18Å; I544-V623 HydrophobicContact CG1-CG2 4.36Å; I544-V623 HydrophobicContact CG2-CB 3.9Å; I544-V623 HydrophobicContact CG2-CG1 4.4Å; I544-V623 HydrophobicContact CG2-CG2 3.73Å; I544-K624 HydrophobicContact CD1-CG 4.46Å
545A98.4Very high96.2Very high0 Ų020.7 Ų20.70%010%0.099CC..EExtended strand (participates in β ladder)trans-83.6132.7170.500000110.2V519 Y521 W533 I547 S633 V634 V635V519-A545 CarbonylContact O-C 3.55Å; V519-A545 WeakPolarHBondContact O-CA 3.29Å; Y521-A545 HydrophobicContact CD2-CB 4.04Å; Y521-A545 HydrophobicContact CE2-CB 4.05Å; W533-A545 HydrophobicContact CH2-CB 4.15Å; W533-A545 HydrophobicContact CZ2-CB 3.41Å; W533-A545 VanDerWaalsContact CZ2-CB 3.41Å; A545-I547 HydrophobicContact CB-CG1 4.31Å; A545-S633 PolarHBondContact N-O 3.23Å; A545-V634 HydrophobicContact CB-CB 4.47Å; A545-V634 HydrophobicContact CB-CG1 4.35Å; A545-V634 HydrophobicContact CB-CG2 4.21Å; A545-V635 PolarHBondContact O-N 3.14Å
546V98.4Very high96Very high0 Ų024.8 Ų24.80%012%0.12CC..EExtended strand (participates in β ladder)trans-118.5105.6164.9-177.40000107L451 F473 W518 V519 I520 Y521 F620 V635L451-V546 HydrophobicContact CD1-CG2 4.43Å; F473-V546 HydrophobicContact CE1-CG1 4.34Å; F473-V546 HydrophobicContact CZ-CG1 4.48Å; W518-V546 HydrophobicContact CE3-CG2 3.86Å; W518-V546 HydrophobicContact CZ3-CG2 3.95Å; V519-V546 PolarHBondContact O-N 3.47Å; I520-V546 WeakPolarHBondContact CA-O 3.46Å; Y521-V546 PolarHBondContact N-O 2.97Å; V546-F620 HydrophobicContact CG2-CE1 4.35Å; V546-V635 WeakPolarHBondContact CA-O 3.43Å
547I98.3Very high95.9Very high0 Ų025.2 Ų25.20%012%0.123CC..EExtended strand (participates in β ladder)trans-100119.6-175.2-54.3173.1000108.2Y521 D523 A526 L530 A545 N549 Y577 V634 V635 C637Y521-I547 HydrophobicContact CD2-CG1 4.21Å; D523-I547 HydrophobicContact CB-CG2 4.21Å; A526-I547 HydrophobicContact CB-CD1 3.93Å; A526-I547 HydrophobicContact CB-CG1 4.21Å; A526-I547 HydrophobicContact CB-CG2 4.2Å; L530-I547 HydrophobicContact CD1-CD1 4.43Å; L530-I547 HydrophobicContact CD2-CD1 4.32Å; A545-I547 HydrophobicContact CB-CG1 4.31Å; I547-N549 HydrophobicContact CG2-CB 4.43Å; I547-N549 PolarHBondContact O-N 2.76Å; I547-Y577 HydrophobicContact CD1-CD2 4.42Å; I547-Y577 HydrophobicContact CD1-CG 3.97Å; I547-Y577 HydrophobicContact CG2-CD2 4.37Å; I547-V634 HydrophobicContact CD1-CG1 3.72Å; I547-V634 HydrophobicContact CG1-CG1 4.47Å; I547-V635 PolarHBondContact N-O 3.35Å; I547-C637 WeakPolarHBondContact O-CA 3.34Å; I547-C637 WeakPolarHBondContact O-CB 3.35Å; I547-C637 PolarHBondContact O-N 2.86Å
548G98.3Very high95.7Very high0 Ų026.8 Ų26.80%013%0.128CC..EExtended strand (participates in β ladder)trans-81.7106.1164.100000109.2Y521 D523Y521-G548 PolarHBondContact O-N 3.43Å; D523-G548 PolarHBondContact N-O 3.1Å
549N97.7Very high95.6Very high0 Ų025.2 Ų25.20%012%0.124CC..EExtended strand (participates in β ladder)trans-107.293.7-177-174.6-7.2000111.1D523 I547 A551 T575 N636 C637 L638 I639D523-N549 HydrophobicContact CB-CB 4.13Å; I547-N549 HydrophobicContact CG2-CB 4.43Å; I547-N549 PolarHBondContact O-N 2.76Å; N549-A551 PolarHBondContact OD1-N 3.09Å; N549-T575 PolarHBondContact ND2-O 2.82Å; N549-T575 VanDerWaalsContact ND2-O 3.12Å; N549-N636 VanDerWaalsContact CB-OD1 3.24Å; N549-N636 WeakPolarHBondContact CB-OD1 3.47Å; N549-N636 PolarHBondContact ND2-ND2 2.97Å; N549-N636 PolarHBondContact ND2-OD1 3.24Å; N549-C637 PolarHBondContact N-O 3.26Å; N549-L638 HydrophobicContact CB-CD2 4.15Å; N549-L638 WeakPolarHBondContact O-CA 3.45Å; N549-I639 PolarHBondContact O-N 3.21Å
550D97Very high95.5Very high20 Ų2025.8 Ų25.811%0.10713%0.126CC..  trans-98.911170.6586.5000112.1C552 S554 I639D550-C552 PolarHBondContact O-N 3.45Å; D550-C552 PolarHBondContact OD1-N 2.94Å; D550-C552 VanDerWaalsContact OD1-O 3.05Å; D550-S554 WeakPolarHBondContact OD2-CB 3.49Å; D550-S554 PolarHBondContact OD2-OG 2.9Å; D550-I639 WeakPolarHBondContact CA-O 3.45Å; D550-I639 HydrophobicContact CB-CD1 4.16Å; D550-I639 HydrophobicContact CB-CG1 3.92Å; D550-I639 WeakPolarHBondContact CB-O 3.46Å
551A97.1Very high95.5Very high11 Ų1122.7 Ų22.79%0.09112%0.117CC..SBendtrans52.139.2-176.800000112.3D523 N549 L572 Y574D523-A551 WeakPolarHBondContact OD2-CA 3.29Å; D523-A551 PolarHBondContact OD2-N 3.3Å; D523-A551 VanDerWaalsContact OD2-N 3.1Å; N549-A551 PolarHBondContact OD1-N 3.09Å; A551-L572 CarbonylContact O-C 2.93Å; A551-L572 WeakPolarHBondContact O-CA 3.42Å; A551-L572 PolarHBondContact O-N 2.92Å; A551-Y574 HydrophobicContact CB-CD1 3.68Å; A551-Y574 HydrophobicContact CB-CD2 4.1Å; A551-Y574 HydrophobicContact CB-CE1 3.7Å; A551-Y574 HydrophobicContact CB-CE2 4.11Å; A551-Y574 HydrophobicContact CB-CG 3.89Å
552C96.4Very high95.3Very high21 Ų2127.2 Ų27.214%0.14214%0.144CC..BIsolated β-bridgetrans-158.2143.8-171.8-174.10000113.7D523 D550 S554 C570D523-C552 PolarHBondContact OD2-N 3.34Å; D550-C552 PolarHBondContact O-N 3.45Å; D550-C552 PolarHBondContact OD1-N 2.94Å; D550-C552 VanDerWaalsContact OD1-O 3.05Å; C552-S554 WeakPolarHBondContact CB-OG 3.47Å; C552-S554 PolarHBondContact O-N 3.4Å; C552-S554 PolarHBondContact SG-OG 3.37Å; C552-C570 CarbonylContact C-O 3.2Å; C552-C570 WeakPolarHBondContact CA-O 3.22Å
553W95.3Very high95.2Very high71 Ų7133.3 Ų33.327%0.26917%0.171SC..  trans-71.458159.8-66.1109.9000111.1L498 G524 Y528 Q555 I556 A557 C570L498-W553 HydrophobicContact CD1-CH2 3.71Å; L498-W553 HydrophobicContact CD1-CZ3 3.45Å; L498-W553 VanDerWaalsContact CD1-CZ3 3.45Å; G524-W553 VanDerWaalsContact O-CH2 3.26Å; G524-W553 WeakPolarHBondContact O-CH2 3.46Å; Y528-W553 HydrophobicContact CE2-CH2 4.05Å; W553-Q555 VanDerWaalsContact C-N 3.26Å; W553-Q555 PolarHBondContact O-N 3.1Å; W553-Q555 VanDerWaalsContact O-N 3.11Å; W553-I556 HydrophobicContact CB-CB 4.48Å; W553-I556 PolarHBondContact O-N 3.06Å; W553-A557 PolarHBondContact O-N 3.38Å; W553-C570 HydrophobicContact CB-CB 4.12Å; W553-C570 PolarHBondContact N-O 3.17Å
554S94.2Very high95.1Very high17 Ų1740.7 Ų40.712%0.11920%0.204CC..Hα-helixtrans-58.4-31.2-165.9-740000115.2D550 C552 I556 A557 R558D550-S554 WeakPolarHBondContact OD2-CB 3.49Å; D550-S554 PolarHBondContact OD2-OG 2.9Å; C552-S554 WeakPolarHBondContact CB-OG 3.47Å; C552-S554 PolarHBondContact O-N 3.4Å; C552-S554 PolarHBondContact SG-OG 3.37Å; S554-I556 VanDerWaalsContact C-N 3.35Å; S554-A557 PolarHBondContact O-N 3.26Å; S554-R558 WeakPolarHBondContact O-CB 3.42Å; S554-R558 PolarHBondContact O-N 3.38Å
555Q91.8Very high95Very high57 Ų5749.5 Ų49.527%0.26624%0.244SC..Hα-helixtrans-61.7-45173.9-176.4165.3-27.900110.7D472 W553 S650D472-Q555 HydrophobicContact CB-CB 4.49Å; W553-Q555 VanDerWaalsContact C-N 3.26Å; W553-Q555 PolarHBondContact O-N 3.1Å; W553-Q555 VanDerWaalsContact O-N 3.11Å; Q555-S650 WeakPolarHBondContact O-CB 3.4Å; Q555-S650 PolarHBondContact O-OG 3.44Å
556I93.1Very high94.9Very high87 Ų8751.7 Ų51.745%0.44626%0.26SS..Hα-helixtrans-73.9-43.3177-55.1-55000111.1W553 S554 R558 D559 Q560W553-I556 HydrophobicContact CB-CB 4.48Å; W553-I556 PolarHBondContact O-N 3.06Å; S554-I556 VanDerWaalsContact C-N 3.35Å; I556-R558 PolarHBondContact O-N 2.54Å; I556-D559 PolarHBondContact O-N 2.96Å; I556-Q560 WeakPolarHBondContact O-CB 3.32Å; I556-Q560 PolarHBondContact O-N 3.23Å
557A93.4Very high94.7Very high9 Ų956.1 Ų56.17%0.07428%0.279CS..Hα-helixtrans-58.5-35.1-178.200000112.4W553 S554 D559 Q560 V561 K567 C570W553-A557 PolarHBondContact O-N 3.38Å; S554-A557 PolarHBondContact O-N 3.26Å; A557-D559 PolarHBondContact O-N 3.05Å; A557-Q560 PolarHBondContact O-N 2.79Å; A557-V561 VanDerWaalsContact O-CB 3.27Å; A557-V561 WeakPolarHBondContact O-CB 3.38Å; A557-V561 WeakPolarHBondContact O-CG2 3.41Å; A557-V561 PolarHBondContact O-N 3.22Å; A557-K567 HydrophobicContact CB-CB 4.5Å; A557-C570 HydrophobicContact CB-CB 3.77Å
558R90.7Very high94.7Very high44 Ų4461.2 Ų61.217%0.16631%0.31CS..Hα-helixtrans-55.4-53.3178.7-172.6-174-54-76.30.5111.9D472 S554 I556 T562 S642D472-R558 IonicContact OD1-CZ 3.36Å; D472-R558 IonicContact OD1-NE 3.84Å; D472-R558 IonicContact OD1-NH2 3.88Å; D472-R558 PolarHBondContact OD1-NH2 3.2Å; D472-R558 IonicContact OD2-NH2 2.63Å; D472-R558 PolarHBondContact OD2-NH2 2.87Å; S554-R558 WeakPolarHBondContact O-CB 3.42Å; S554-R558 PolarHBondContact O-N 3.38Å; I556-R558 PolarHBondContact O-N 2.54Å; R558-T562 WeakPolarHBondContact O-CB 3.36Å; R558-T562 PolarHBondContact O-N 2.82Å; R558-T562 PolarHBondContact O-OG1 3.22Å; R558-S642 PolarHBondContact NH1-O 2.97Å; R558-S642 PolarHBondContact NH2-O 3.39Å
559D91Very high94.6Very high31 Ų3164.5 Ų64.517%0.16634%0.344CS..Hα-helixtrans-72.8-40.6179.1-73.6-15.2000110.8I556 A557 V561 T562 F563 S650I556-D559 PolarHBondContact O-N 2.96Å; A557-D559 PolarHBondContact O-N 3.05Å; D559-V561 PolarHBondContact O-N 3.24Å; D559-T562 PolarHBondContact O-N 3.25Å; D559-F563 HydrophobicContact CB-CD2 3.91Å; D559-F563 HydrophobicContact CB-CE2 3.76Å; D559-F563 WeakPolarHBondContact O-CB 3.31Å; D559-F563 WeakPolarHBondContact O-CD2 3.37Å; D559-F563 WeakPolarHBondContact O-CG 3.21Å; D559-F563 PolarHBondContact O-N 3.14Å; D559-S650 VanDerWaalsContact CG-OG 3.25Å; D559-S650 WeakPolarHBondContact OD2-CB 3.41Å; D559-S650 PolarHBondContact OD2-N 2.72Å; D559-S650 PolarHBondContact OD2-OG 2.73Å
560Q93.7Very high94.6Very high37 Ų3764.7 Ų64.717%0.17335%0.345CS..Hα-helixtrans-63.7-42-177-158.6-175.1-54.200112.6I556 A557 F564 Q565 S566 V568 C570I556-Q560 WeakPolarHBondContact O-CB 3.32Å; I556-Q560 PolarHBondContact O-N 3.23Å; A557-Q560 PolarHBondContact O-N 2.79Å; Q560-F564 HydrophobicContact CG-CD2 4.15Å; Q560-F564 CarbonylContact O-C 3.48Å; Q560-F564 WeakPolarHBondContact O-CA 3.22Å; Q560-F564 VanDerWaalsContact O-CB 3.32Å; Q560-F564 WeakPolarHBondContact O-CB 3.46Å; Q560-F564 PolarHBondContact O-N 2.96Å; Q560-Q565 PolarHBondContact O-N 3.25Å; Q560-S566 CarbonylContact C-O 3.42Å; Q560-S566 WeakPolarHBondContact CG-O 3.3Å; Q560-S566 PolarHBondContact NE2-O 3.22Å; Q560-V568 VanDerWaalsContact NE2-CG1 3.31Å; Q560-V568 VanDerWaalsContact NE2-N 3.11Å; Q560-V568 PolarHBondContact NE2-O 2.85Å; Q560-C570 PolarHBondContact OE1-SG 3.47Å; Q560-C570 VanDerWaalsContact OE1-SG 3.33Å
561V93.8Very high94.5Very high68 Ų6869.7 Ų69.741%0.41237%0.368SS..Hα-helixtrans-68.5-43.8175.7173.20000110.6A557 D559 Q565 S566 K567A557-V561 VanDerWaalsContact O-CB 3.27Å; A557-V561 WeakPolarHBondContact O-CB 3.38Å; A557-V561 WeakPolarHBondContact O-CG2 3.41Å; A557-V561 PolarHBondContact O-N 3.22Å; D559-V561 PolarHBondContact O-N 3.24Å; V561-Q565 WeakPolarHBondContact O-CA 3.21Å; V561-Q565 PolarHBondContact O-N 3.06Å; V561-S566 PolarHBondContact N-O 3.37Å; V561-K567 HydrophobicContact CG2-CB 3.72Å
562T92Very high94.5Very high96 Ų9671.8 Ų71.859%0.58938%0.378SS*.Hα-helixtrans-64-43.8-178.6-57.30000112R558 D559R558-T562 WeakPolarHBondContact O-CB 3.36Å; R558-T562 PolarHBondContact O-N 2.82Å; R558-T562 PolarHBondContact O-OG1 3.22Å; D559-T562 PolarHBondContact O-N 3.25Å
563F92.8Very high94.5Very high130 Ų13076.8 Ų76.857%0.5740%0.403SS*.Hα-helixtrans-90-31.9-175.1-60.2-50000114.1D559D559-F563 HydrophobicContact CB-CD2 3.91Å; D559-F563 HydrophobicContact CB-CE2 3.76Å; D559-F563 WeakPolarHBondContact O-CB 3.31Å; D559-F563 WeakPolarHBondContact O-CD2 3.37Å; D559-F563 WeakPolarHBondContact O-CG 3.21Å; D559-F563 PolarHBondContact O-N 3.14Å
564F96Very high94.5Very high156 Ų15678.8 Ų78.868%0.68441%0.411SS*.Hα-helixtrans-124.63.7-170.6-50.1-68.1000114.1Q560 S566Q560-F564 HydrophobicContact CG-CD2 4.15Å; Q560-F564 CarbonylContact O-C 3.48Å; Q560-F564 WeakPolarHBondContact O-CA 3.22Å; Q560-F564 VanDerWaalsContact O-CB 3.32Å; Q560-F564 WeakPolarHBondContact O-CB 3.46Å; Q560-F564 PolarHBondContact O-N 2.96Å; F564-S566 PolarHBondContact O-N 3.16Å
565Q96.4Very high94.6Very high184 Ų18480.5 Ų80.586%0.8642%0.421SS*.SBendtrans55.428.1177.9-55.5175.513.600113.2Q560 V561Q560-Q565 PolarHBondContact O-N 3.25Å; V561-Q565 WeakPolarHBondContact O-CA 3.21Å; V561-Q565 PolarHBondContact O-N 3.06Å
566S96.4Very high94.7Very high47 Ų4781 Ų8133%0.32943%0.429SS..  trans-145.6144.5-176.9177.10000110.9Q560 V561 F564 V568Q560-S566 CarbonylContact C-O 3.42Å; Q560-S566 WeakPolarHBondContact CG-O 3.3Å; Q560-S566 PolarHBondContact NE2-O 3.22Å; V561-S566 PolarHBondContact N-O 3.37Å; F564-S566 PolarHBondContact O-N 3.16Å; S566-V568 PolarHBondContact OG-N 2.93Å
567K94.3Very high94.8Very high93 Ų9378.1 Ų78.140%0.40441%0.413SS..  trans-116.225.3171.760176.5174.91730112.6A557 V561 G569 C570 Q571A557-K567 HydrophobicContact CB-CB 4.5Å; V561-K567 HydrophobicContact CG2-CB 3.72Å; K567-G569 PolarHBondContact O-N 3.32Å; K567-C570 HydrophobicContact CB-CB 4.29Å; K567-C570 WeakPolarHBondContact O-CB 3.48Å; K567-C570 PolarHBondContact O-N 3.35Å; K567-Q571 HydrophobicContact CD-CG 3.72Å; K567-Q571 VanDerWaalsContact CE-CD 3.4Å; K567-Q571 HydrophobicContact CG-CG 4.05Å; K567-Q571 VanDerWaalsContact NZ-NE2 3.13Å
568V97.3Very high94.9Very high107 Ų10778.9 Ų78.965%0.64842%0.415SS*.THydrogen-bonded Turntrans-48.8133177.863.20000111Q560 S566 C570Q560-V568 VanDerWaalsContact NE2-CG1 3.31Å; Q560-V568 VanDerWaalsContact NE2-N 3.11Å; Q560-V568 PolarHBondContact NE2-O 2.85Å; S566-V568 PolarHBondContact OG-N 2.93Å; V568-C570 PolarHBondContact O-N 3.06Å; V568-C570 VanDerWaalsContact O-N 3.14Å
569G96.6Very high94.9Very high69 Ų6980.7 Ų80.771%0.71143%0.431SS*.THydrogen-bonded Turntrans73.7-9.1-178.300000115.8K567K567-G569 PolarHBondContact O-N 3.32Å
570C96.5Very high94.8Very high4 Ų481 Ų813%0.02743%0.434CS..THydrogen-bonded Turntrans-90.2-22.2179.5-66.90000113.6C552 W553 A557 Q560 K567 V568C552-C570 CarbonylContact C-O 3.2Å; C552-C570 WeakPolarHBondContact CA-O 3.22Å; W553-C570 HydrophobicContact CB-CB 4.12Å; W553-C570 PolarHBondContact N-O 3.17Å; A557-C570 HydrophobicContact CB-CB 3.77Å; Q560-C570 PolarHBondContact OE1-SG 3.47Å; Q560-C570 VanDerWaalsContact OE1-SG 3.33Å; K567-C570 HydrophobicContact CB-CB 4.29Å; K567-C570 WeakPolarHBondContact O-CB 3.48Å; K567-C570 PolarHBondContact O-N 3.35Å; V568-C570 PolarHBondContact O-N 3.06Å; V568-C570 VanDerWaalsContact O-N 3.14Å
571Q96.6Very high94.1Very high125 Ų12579.2 Ų79.258%0.58443%0.425SS*.BIsolated β-bridgetrans-74.3128.6-179.1-63.6-177.6-79.900111.2K567K567-Q571 HydrophobicContact CD-CG 3.72Å; K567-Q571 VanDerWaalsContact CE-CD 3.4Å; K567-Q571 HydrophobicContact CG-CG 4.05Å; K567-Q571 VanDerWaalsContact NZ-NE2 3.13Å
572L96.5Very high93.5Very high55 Ų5576.9 Ų76.929%0.28841%0.412SS..  trans-111-166.4168.9-56.1175.9000108.9A551A551-L572 CarbonylContact O-C 2.93Å; A551-L572 WeakPolarHBondContact O-CA 3.42Å; A551-L572 PolarHBondContact O-N 2.92Å
573N95.7Very high93.2Very high126 Ų12675.1 Ų75.167%0.67441%0.407SS*.  trans-113.7158.1171.5-69.7-34.8000109.4T575N573-T575 PolarHBondContact O-N 3.33Å
574Y96.3Very high92.9Very high112 Ų11273.1 Ų73.144%0.43940%0.396SS..  trans-69.772.1165.6-66.6-68000109.8H441 A551 L638H441-Y574 AromaticContact CD2-CE1 3.81Å; H441-Y574 AromaticContact CD2-CZ 3.51Å; H441-Y574 PolarHBondContact CD2-OH 3.02Å; H441-Y574 VanDerWaalsContact CD2-OH 3.26Å; H441-Y574 AromaticContact NE2-CE1 3.78Å; H441-Y574 AromaticContact NE2-CE2 3.62Å; H441-Y574 AromaticContact NE2-CZ 3.33Å; H441-Y574 VanDerWaalsContact NE2-CZ 3.33Å; H441-Y574 PolarHBondContact NE2-OH 3.21Å; A551-Y574 HydrophobicContact CB-CD1 3.68Å; A551-Y574 HydrophobicContact CB-CD2 4.1Å; A551-Y574 HydrophobicContact CB-CE1 3.7Å; A551-Y574 HydrophobicContact CB-CE2 4.11Å; A551-Y574 HydrophobicContact CB-CG 3.89Å; Y574-L638 HydrophobicContact CD1-CD2 3.93Å
575T95.9Very high91.7Very high54 Ų5465.7 Ų65.733%0.33136%0.364SS..  trans-66.8134.4-178.2-67.40000109.5N549 N573 Y577 N636N549-T575 PolarHBondContact ND2-O 2.82Å; N549-T575 VanDerWaalsContact ND2-O 3.12Å; N573-T575 PolarHBondContact O-N 3.33Å; T575-Y577 HydrophobicContact CG2-CD1 4.07Å; T575-Y577 HydrophobicContact CG2-CD2 4.28Å; T575-Y577 HydrophobicContact CG2-CE1 3.89Å; T575-Y577 HydrophobicContact CG2-CE2 4.08Å; T575-Y577 HydrophobicContact CG2-CG 4.28Å; T575-Y577 VanDerWaalsContact O-CD2 3.24Å; T575-Y577 WeakPolarHBondContact O-CD2 3.45Å; T575-Y577 PolarHBondContact O-N 3.44Å; T575-N636 PolarHBondContact O-ND2 3.49Å; T575-N636 VanDerWaalsContact O-ND2 3.08Å
576P94.7Very high90.2Very high68 Ų6866.3 Ų66.344%0.44236%0.359SS..  trans-77.769.3-179.432.6-37000111.3E578 V579P576-E578 WeakPolarHBondContact CA-OE1 3.27Å; P576-E578 VanDerWaalsContact CA-OE2 3.29Å; P576-E578 WeakPolarHBondContact CA-OE2 3.34Å; P576-E578 WeakPolarHBondContact CB-OE1 3.39Å; P576-E578 PolarHBondContact O-N 2.91Å; P576-V579 HydrophobicContact CB-CG2 3.95Å; P576-V579 HydrophobicContact CG-CG2 4.41Å; P576-V579 VanDerWaalsContact O-CB 3.31Å; P576-V579 WeakPolarHBondContact O-CB 3.44Å; P576-V579 PolarHBondContact O-N 3.26Å
577Y95.2Very high88.2Confident25 Ų2568.4 Ų68.410%0.09837%0.373CS..Hα-helixtrans-61-23.6-176.9-68.3-73.7000113.7D523 L530 I547 T575 V579 V580 G581 N636D523-Y577 HydrophobicContact CB-CE2 3.78Å; D523-Y577 PolarHBondContact O-OH 3.09Å; L530-Y577 HydrophobicContact CD2-CD1 3.65Å; L530-Y577 HydrophobicContact CD2-CG 4.32Å; I547-Y577 HydrophobicContact CD1-CD2 4.42Å; I547-Y577 HydrophobicContact CD1-CG 3.97Å; I547-Y577 HydrophobicContact CG2-CD2 4.37Å; T575-Y577 HydrophobicContact CG2-CD1 4.07Å; T575-Y577 HydrophobicContact CG2-CD2 4.28Å; T575-Y577 HydrophobicContact CG2-CE1 3.89Å; T575-Y577 HydrophobicContact CG2-CE2 4.08Å; T575-Y577 HydrophobicContact CG2-CG 4.28Å; T575-Y577 VanDerWaalsContact O-CD2 3.24Å; T575-Y577 WeakPolarHBondContact O-CD2 3.45Å; T575-Y577 PolarHBondContact O-N 3.44Å; Y577-V579 PolarHBondContact O-N 2.62Å; Y577-V580 VanDerWaalsContact O-CB 3.29Å; Y577-V580 WeakPolarHBondContact O-CB 3.34Å; Y577-V580 PolarHBondContact O-N 3.15Å; Y577-G581 PolarHBondContact O-N 3.35Å; Y577-N636 PolarHBondContact N-ND2 3.38Å
578E93.9Very high86Confident26 Ų2668.2 Ų68.212%0.12138%0.379CS..Hα-helixtrans-58.7-30.817270.7-73.4172.700112.5P576 V580 G581 S582 G605 L607 N636P576-E578 WeakPolarHBondContact CA-OE1 3.27Å; P576-E578 VanDerWaalsContact CA-OE2 3.29Å; P576-E578 WeakPolarHBondContact CA-OE2 3.34Å; P576-E578 WeakPolarHBondContact CB-OE1 3.39Å; P576-E578 PolarHBondContact O-N 2.91Å; E578-V580 VanDerWaalsContact C-N 3.27Å; E578-V580 PolarHBondContact O-N 3.15Å; E578-G581 PolarHBondContact O-N 3.16Å; E578-S582 PolarHBondContact O-N 3.44Å; E578-S582 VanDerWaalsContact O-N 3.11Å; E578-S582 PolarHBondContact O-OG 3.44Å; E578-G605 WeakPolarHBondContact O-CA 3.33Å; E578-L607 HydrophobicContact CG-CB 4.08Å; E578-N636 HydrophobicContact CB-CB 4.18Å; E578-N636 WeakPolarHBondContact OE2-CB 3.39Å; E578-N636 PolarHBondContact OE2-ND2 3.25Å
579V92.1Very high83.3Confident81 Ų8165.7 Ų65.749%0.49137%0.37SS..Hα-helixtrans-68-30.6175.1-179.10000110.8P576 Y577 S582 A583P576-V579 HydrophobicContact CB-CG2 3.95Å; P576-V579 HydrophobicContact CG-CG2 4.41Å; P576-V579 VanDerWaalsContact O-CB 3.31Å; P576-V579 WeakPolarHBondContact O-CB 3.44Å; P576-V579 PolarHBondContact O-N 3.26Å; Y577-V579 PolarHBondContact O-N 2.62Å; V579-S582 WeakPolarHBondContact O-CB 3.22Å; V579-S582 PolarHBondContact O-N 2.83Å; V579-A583 WeakPolarHBondContact O-CB 3.39Å; V579-A583 PolarHBondContact O-N 3.18Å
580V88.1Confident80.4Confident38 Ų3867.8 Ų67.823%0.2337%0.371CS..Hα-helixtrans-67.6-42.9174.6-178.50000110.8L530 Y577 E578 S582 A583 Y584L530-V580 HydrophobicContact CD2-CB 3.7Å; L530-V580 HydrophobicContact CD2-CG1 3.66Å; L530-V580 HydrophobicContact CD2-CG2 4.12Å; L530-V580 HydrophobicContact CG-CB 4.32Å; L530-V580 HydrophobicContact CG-CG1 3.76Å; Y577-V580 VanDerWaalsContact O-CB 3.29Å; Y577-V580 WeakPolarHBondContact O-CB 3.34Å; Y577-V580 PolarHBondContact O-N 3.15Å; E578-V580 VanDerWaalsContact C-N 3.27Å; E578-V580 PolarHBondContact O-N 3.15Å; V580-S582 VanDerWaalsContact C-N 3.26Å; V580-S582 PolarHBondContact O-N 3.08Å; V580-A583 PolarHBondContact O-N 3.04Å; V580-A583 VanDerWaalsContact O-N 3.1Å; V580-Y584 HydrophobicContact CG1-CD2 3.25Å; V580-Y584 HydrophobicContact CG1-CE2 3.27Å; V580-Y584 HydrophobicContact CG1-CG 4.18Å; V580-Y584 PolarHBondContact O-N 2.88Å
581G79.5Confident77.4Confident0 Ų074.6 Ų74.60%041%0.412CS..Hα-helixtrans-54.3-47.117200000111.1Y577 E578 A583 C585 V634Y577-G581 PolarHBondContact O-N 3.35Å; E578-G581 PolarHBondContact O-N 3.16Å; G581-A583 VanDerWaalsContact C-N 3.32Å; G581-A583 PolarHBondContact O-N 3.13Å; G581-C585 WeakPolarHBondContact O-CA 2.96Å; G581-C585 WeakPolarHBondContact O-CB 3.37Å; G581-C585 PolarHBondContact O-N 3.09Å; G581-C585 PolarHBondContact O-SG 3.27Å; G581-V634 VanDerWaalsContact CA-CG2 3.47Å
582S80.8Confident74.6Confident19 Ų1973.7 Ų73.713%0.13342%0.42CS..Hα-helixtrans-57.4-40.5175.4-46.50000114.4E578 V579 V580 P602E578-S582 PolarHBondContact O-N 3.44Å; E578-S582 VanDerWaalsContact O-N 3.11Å; E578-S582 PolarHBondContact O-OG 3.44Å; V579-S582 WeakPolarHBondContact O-CB 3.22Å; V579-S582 PolarHBondContact O-N 2.83Å; V580-S582 VanDerWaalsContact C-N 3.26Å; V580-S582 PolarHBondContact O-N 3.08Å; S582-P602 WeakPolarHBondContact OG-CB 3.23Å; S582-P602 VanDerWaalsContact OG-CG 3.23Å; S582-P602 WeakPolarHBondContact OG-CG 3.19Å
583A86.3Confident71.6Confident59 Ų5974.4 Ų74.449%0.48844%0.44SS..Hα-helixtrans-78.9-44.3-174.600000112.4V579 V580 G581V579-A583 WeakPolarHBondContact O-CB 3.39Å; V579-A583 PolarHBondContact O-N 3.18Å; V580-A583 PolarHBondContact O-N 3.04Å; V580-A583 VanDerWaalsContact O-N 3.1Å; G581-A583 VanDerWaalsContact C-N 3.32Å; G581-A583 PolarHBondContact O-N 3.13Å
584Y86.2Confident68.6Low87 Ų8775.2 Ų75.234%0.34145%0.445SS..Hα-helixtrans-86.8-24.4-175.9-69.3-23000113.8V531 W533 D534 V580V531-Y584 VanDerWaalsContact CA-CE2 3.49Å; V531-Y584 HydrophobicContact CB-CE2 4.19Å; V531-Y584 HydrophobicContact CG2-CE2 4.13Å; W533-Y584 HydrophobicContact CB-CD2 4.47Å; D534-Y584 HydrophobicContact CB-CD1 4.14Å; D534-Y584 HydrophobicContact CB-CG 4.02Å; V580-Y584 HydrophobicContact CG1-CD2 3.25Å; V580-Y584 HydrophobicContact CG1-CE2 3.27Å; V580-Y584 HydrophobicContact CG1-CG 4.18Å; V580-Y584 PolarHBondContact O-N 2.88Å
585C69.5Low65.5Low1 Ų177.7 Ų77.71%0.00747%0.465CS..  trans-100.725.5-172.4-50.90000113.5G581 S587 N604 P632G581-C585 WeakPolarHBondContact O-CA 2.96Å; G581-C585 WeakPolarHBondContact O-CB 3.37Å; G581-C585 PolarHBondContact O-N 3.09Å; G581-C585 PolarHBondContact O-SG 3.27Å; C585-S587 PolarHBondContact O-N 3.34Å; C585-N604 WeakPolarHBondContact CB-ND2 3.18Å; C585-N604 PolarHBondContact O-ND2 3.2Å; C585-P632 HydrophobicContact CB-CG 3.88Å; C585-P632 WeakPolarHBondContact CB-O 3.15Å
586R65.5Low62.6Low197 Ų19782 Ų8274%0.74348%0.484SS*.  trans-62.3131.2172.8-72.4-172.1177-179.7-0.6109.7S537 V588S537-R586 PolarHBondContact OG-O 3.31Å; S537-R586 VanDerWaalsContact OG-O 3.13Å; R586-V588 PolarHBondContact O-N 3.28Å; R586-V588 VanDerWaalsContact O-N 3.15Å
587S53.8Low59.8Low91 Ų9184.5 Ų84.564%0.63650%0.499SS*.  trans-57.9116.9171.5-177.20000108.8C585 A589C585-S587 PolarHBondContact O-N 3.34Å; S587-A589 PolarHBondContact O-N 3.46Å
588V49.2Very low56.8Low88 Ų8889.7 Ų89.753%0.53353%0.528SS..  trans-72.479.8168.3-170.70000107.1R586R586-V588 PolarHBondContact O-N 3.28Å; R586-V588 VanDerWaalsContact O-N 3.15Å
589A40.1Very low54.2Low55 Ų5597.1 Ų97.146%0.45557%0.568SS.*  trans-62.2140.615600000107.1S587 V591S587-A589 PolarHBondContact O-N 3.46Å; A589-V591 PolarHBondContact O-N 2.94Å
590P36.3Very low51.8Low112 Ų11297.8 Ų97.873%0.72758%0.577SS**  trans-51.9131.5171.5-2030.1000108.3S592P590-S592 PolarHBondContact O-N 3.46Å
591V33.7Very low49.7Very low148 Ų148102.8 Ų102.890%0.89760%0.602SS**  trans-66.281.8-180-1770000108.8A589 G593A589-V591 PolarHBondContact O-N 2.94Å; V591-G593 PolarHBondContact O-N 3.38Å
592S37.3Very low48.5Very low106 Ų106106 Ų10674%0.74162%0.623SS**  trans-90.383.8161.153.40000108.1P590 N594P590-S592 PolarHBondContact O-N 3.46Å; S592-N594 PolarHBondContact O-N 2.99Å
593G34.4Very low48.3Very low70 Ų70109.1 Ų109.172%0.72264%0.641SS**SBendtrans64.7-17.6149.700000120.9V591V591-G593 PolarHBondContact O-N 3.38Å
594N31Very low48.4Very low143 Ų143106.8 Ų106.877%0.76562%0.62SS**  trans-124.3109.5-176.5-74.4-23000110.1S592 I596S592-N594 PolarHBondContact O-N 2.99Å; N594-I596 PolarHBondContact O-N 3.1Å
595L32.6Very low48.7Very low164 Ų164103.2 Ų103.286%0.85961%0.61SS**  trans-51.9100.3164.1-82.3149.2000108.4T597L595-T597 VanDerWaalsContact C-N 3.28Å; L595-T597 PolarHBondContact O-N 3.5Å
596I34.9Very low49.9Very low143 Ų143105 Ų10573%0.73362%0.618SS**  trans-6696.1170-59.5176.6000106.6N594 N598N594-I596 PolarHBondContact O-N 3.1Å; I596-N598 HydrophobicContact CG2-CB 4.14Å
597T34.9Very low51.3Low122 Ų12299.3 Ų99.375%0.74860%0.602SS**  trans-93.771.9165.643.20000107.6L595L595-T597 VanDerWaalsContact C-N 3.28Å; L595-T597 PolarHBondContact O-N 3.5Å
598N33.3Very low53.3Low134 Ų13495 Ų9572%0.71757%0.571SS**  trans-114108.3167.7-83.4-12.2000109.9I596 S600I596-N598 HydrophobicContact CG2-CB 4.14Å; N598-S600 PolarHBondContact O-N 2.75Å; N598-S600 VanDerWaalsContact O-N 3.07Å
599N38.8Very low55.5Low181 Ų18192.5 Ų92.597%0.96856%0.555SS**  trans-77.737.1-174.8-131.48.5000112.7
600S41.3Very low58Low95 Ų9593 Ų9366%0.66455%0.547SS*.  trans-96.9126.3175.1530000109.7N598N598-S600 PolarHBondContact O-N 2.75Å; N598-S600 VanDerWaalsContact O-N 3.07Å
601N45Very low60.4Low144 Ų14492 Ų9277%0.7754%0.54SS*.  trans-11.7137.2-176.8-75.6-24.5000117.1V603N601-V603 WeakPolarHBondContact O-CG2 3.42Å; N601-V603 PolarHBondContact O-N 3.33Å
602P53.1Low63.1Low67 Ų6788.3 Ų88.344%0.43551%0.513SS..  trans-60.3112.8-179.527.3-34.4000111.5S582 N604S582-P602 WeakPolarHBondContact OG-CB 3.23Å; S582-P602 VanDerWaalsContact OG-CG 3.23Å; S582-P602 WeakPolarHBondContact OG-CG 3.19Å; P602-N604 PolarHBondContact O-N 3.06Å
603V76.5Confident65.6Low84 Ų8484.5 Ų84.551%0.50949%0.485SS..THydrogen-bonded Turntrans-68.8-12.8-165.7-174.40000112.4N601 F606 L626N601-V603 WeakPolarHBondContact O-CG2 3.42Å; N601-V603 PolarHBondContact O-N 3.33Å; V603-F606 WeakPolarHBondContact O-CZ 3.16Å; V603-L626 HydrophobicContact CG1-CD2 4.04Å; V603-L626 WeakPolarHBondContact O-CD1 3.19Å
604N88.6Confident68.2Low11 Ų1189.1 Ų89.16%0.05949%0.487CS..THydrogen-bonded Turntrans-129.112.4-171.653.60.4000115.3C585 P602 L626 I631 P632 S633 V634C585-N604 WeakPolarHBondContact CB-ND2 3.18Å; C585-N604 PolarHBondContact O-ND2 3.2Å; P602-N604 PolarHBondContact O-N 3.06Å; N604-L626 HydrophobicContact CB-CD1 4.03Å; N604-I631 HydrophobicContact CB-CG2 4.11Å; N604-I631 WeakPolarHBondContact ND2-CG2 3.43Å; N604-P632 WeakPolarHBondContact CB-O 3.47Å; N604-P632 PolarHBondContact ND2-O 2.74Å; N604-S633 CarbonylContact O-C 3.49Å; N604-S633 WeakPolarHBondContact O-CA 3.48Å; N604-S633 VanDerWaalsContact O-CB 3.31Å; N604-S633 WeakPolarHBondContact O-CB 3.45Å; N604-V634 PolarHBondContact O-N 2.75Å
605G92.7Very high71.1Confident12 Ų1288 Ų8812%0.12448%0.478CS..EExtended strand (participates in β ladder)trans-116.2126.6169.300000110.5E578 V634E578-G605 WeakPolarHBondContact O-CA 3.33Å; G605-V634 CarbonylContact C-O 3.57Å; G605-V634 WeakPolarHBondContact CA-O 3.42Å
606F94.5Very high74.1Confident39 Ų3980.2 Ų80.217%0.17144%0.437CS..EExtended strand (participates in β ladder)trans-127.3123.1-178.2-55.9-90.6000110.6V603 I619 E622 V623 L626 V634 V635 N636V603-F606 WeakPolarHBondContact O-CZ 3.16Å; F606-I619 HydrophobicContact CB-CD1 4.44Å; F606-I619 HydrophobicContact CB-CG2 3.78Å; F606-I619 HydrophobicContact CD1-CG1 4.18Å; F606-I619 HydrophobicContact CD1-CG2 3.87Å; F606-I619 HydrophobicContact CD2-CG2 4.14Å; F606-I619 HydrophobicContact CG-CG2 3.65Å; F606-E622 HydrophobicContact CE1-CG 4.11Å; F606-E622 HydrophobicContact CZ-CB 4.43Å; F606-E622 HydrophobicContact CZ-CG 3.68Å; F606-V623 HydrophobicContact CD2-CG1 3.69Å; F606-V623 HydrophobicContact CE2-CG1 3.44Å; F606-V623 VanDerWaalsContact CE2-CG1 3.44Å; F606-V623 HydrophobicContact CZ-CG1 4.29Å; F606-L626 HydrophobicContact CE2-CD1 4.11Å; F606-L626 HydrophobicContact CZ-CD1 4.13Å; F606-V634 PolarHBondContact N-O 3.32Å; F606-V635 HydrophobicContact CB-CG1 4.45Å; F606-V635 HydrophobicContact CB-CG2 4.44Å; F606-V635 HydrophobicContact CD2-CG2 4.33Å; F606-V635 CarbonylContact O-C 3.42Å; F606-V635 WeakPolarHBondContact O-CA 2.97Å; F606-N636 PolarHBondContact O-N 3.15Å
607L95.7Very high76.9Confident77 Ų7775.6 Ų75.640%0.40342%0.415SS..EExtended strand (participates in β ladder)trans-93129.7168.9-179.966.1000109.2E578 N636 L638E578-L607 HydrophobicContact CG-CB 4.08Å; L607-N636 HydrophobicContact CD1-CB 4.45Å; L607-L638 HydrophobicContact CD1-CD1 4.29Å; L607-L638 HydrophobicContact CD1-CD2 4.03Å; L607-L638 HydrophobicContact CD1-CG 3.91Å
608V96.5Very high79.8Confident0 Ų076.1 Ų76.10%041%0.409CS..EExtended strand (participates in β ladder)trans-123.5108177.5-176.30000109.5N442 Q612 I616 I619 V635 N636 C637 L638N442-V608 PolarHBondContact ND2-O 2.94Å; N442-V608 VanDerWaalsContact ND2-O 3.08Å; V608-Q612 HydrophobicContact CG1-CB 4.24Å; V608-I616 HydrophobicContact CG1-CB 4.49Å; V608-I616 HydrophobicContact CG1-CD1 4.03Å; V608-I616 HydrophobicContact CG1-CG1 4.26Å; V608-I616 HydrophobicContact CG2-CG1 4.26Å; V608-I619 HydrophobicContact CG2-CD1 3.58Å; V608-V635 HydrophobicContact CG2-CG1 3.76Å; V608-N636 PolarHBondContact N-O 3.02Å; V608-C637 CarbonylContact O-C 3.47Å; V608-C637 WeakPolarHBondContact O-CA 3.43Å; V608-L638 PolarHBondContact O-N 3.42Å
609D95.5Very high82.7Confident35 Ų3570.4 Ų70.419%0.18738%0.378CS..  trans-114.8-171.7164.3-158.30.4000109.7H441 N442 Q612 L613 L638H441-D609 IonicContact CE1-OD2 2.84Å; H441-D609 IonicContact CG-OD1 2.79Å; H441-D609 IonicContact ND1-OD1 3.65Å; H441-D609 PolarHBondContact ND1-OD1 2.9Å; H441-D609 VanDerWaalsContact ND1-OD1 3.08Å; H441-D609 IonicContact ND1-OD2 3.83Å; H441-D609 PolarHBondContact ND1-OD2 2.66Å; H441-D609 VanDerWaalsContact ND1-OD2 3.07Å; N442-D609 VanDerWaalsContact ND2-CA 3.32Å; N442-D609 WeakPolarHBondContact ND2-CA 3.12Å; D609-Q612 PolarHBondContact O-N 2.78Å; D609-L613 PolarHBondContact O-N 2.64Å; D609-L638 HydrophobicContact CB-CB 4.37Å; D609-L638 HydrophobicContact CB-CD1 4.23Å; D609-L638 HydrophobicContact CB-CG 4.47Å
610K91.2Very high85.4Confident67 Ų6761.8 Ų61.829%0.29133%0.332SS..G310 helixtrans-46.3-49.8-175.5-72.7-172.2173.1-169.80114.7E437 G438 G440 H441 N442 Q612 L613E437-K610 IonicContact OE1-NZ 3.87Å; E437-K610 PolarHBondContact OE1-NZ 3.19Å; G438-K610 WeakPolarHBondContact O-CE 3.4Å; G438-K610 PolarHBondContact O-NZ 3.43Å; G440-K610 WeakPolarHBondContact O-CE 3.35Å; H441-K610 WeakPolarHBondContact O-CE 3.14Å; N442-K610 VanDerWaalsContact OD1-CA 3.3Å; N442-K610 WeakPolarHBondContact OD1-CA 3.3Å; N442-K610 PolarHBondContact OD1-N 3.36Å; K610-Q612 VanDerWaalsContact C-N 3.26Å; K610-Q612 PolarHBondContact O-N 3.04Å; K610-L613 PolarHBondContact O-N 2.72Å
611P87Confident88Confident89 Ų8961 Ų6158%0.57832%0.32SS*.G310 helixtrans-65.1-28.6-178.7-20.133.3000113.6
612Q90.5Very high90.4Very high71 Ų7156 Ų5633%0.33229%0.292SS..G310 helixtrans-90.6-12.7-177.8-6974.622.500112.8V608 D609 K610 E614 Q615 I616V608-Q612 HydrophobicContact CG1-CB 4.24Å; D609-Q612 PolarHBondContact O-N 2.78Å; K610-Q612 VanDerWaalsContact C-N 3.26Å; K610-Q612 PolarHBondContact O-N 3.04Å; Q612-E614 PolarHBondContact O-N 3.3Å; Q612-Q615 CarbonylContact O-C 3.49Å; Q612-Q615 WeakPolarHBondContact O-CA 3.48Å; Q612-Q615 PolarHBondContact O-N 3.09Å; Q612-I616 PolarHBondContact O-N 2.6Å; Q612-I616 VanDerWaalsContact O-N 3.12Å
613L90.7Very high92.3Very high27 Ų2752.9 Ų52.914%0.14127%0.272CS..THydrogen-bonded Turntrans-62-29.5-179.1-17662.7000112.9N442 V447 K450 D609 K610 Q615 I616N442-L613 HydrophobicContact CB-CD2 4.37Å; N442-L613 WeakPolarHBondContact OD1-CB 3.49Å; N442-L613 WeakPolarHBondContact OD1-CD2 3.07Å; V447-L613 HydrophobicContact CG2-CD1 4Å; K450-L613 HydrophobicContact CD-CD1 3.98Å; K450-L613 HydrophobicContact CD-CG 4.35Å; K450-L613 PolarHBondContact NZ-O 3.24Å; D609-L613 PolarHBondContact O-N 2.64Å; K610-L613 PolarHBondContact O-N 2.72Å; L613-Q615 VanDerWaalsContact C-N 3.29Å; L613-I616 HydrophobicContact CD1-CD1 4.21Å; L613-I616 HydrophobicContact CD1-CG2 4.3Å; L613-I616 WeakPolarHBondContact O-CG2 3.44Å; L613-I616 PolarHBondContact O-N 3.36Å
614E89Confident93.3Very high166 Ų16651.3 Ų51.378%0.77626%0.258SS*.THydrogen-bonded Turntrans-66.1-35.5173-64.9-172.616500111.6Q612Q612-E614 PolarHBondContact O-N 3.3Å
615Q91.5Very high93.5Very high121 Ų12155 Ų5557%0.56527%0.271SS*.THydrogen-bonded Turntrans-86.7-3.6-178.9-57.6177.620.800113.4Q612 L613 V617 H618 I619Q612-Q615 CarbonylContact O-C 3.49Å; Q612-Q615 WeakPolarHBondContact O-CA 3.48Å; Q612-Q615 PolarHBondContact O-N 3.09Å; L613-Q615 VanDerWaalsContact C-N 3.29Å; Q615-V617 PolarHBondContact O-N 3.19Å; Q615-H618 WeakPolarHBondContact O-CB 3.44Å; Q615-H618 PolarHBondContact O-N 3.32Å; Q615-I619 PolarHBondContact O-N 2.9Å; Q615-I619 VanDerWaalsContact O-N 3.11Å
616I94.7Very high93.5Very high0 Ų054.5 Ų54.50%027%0.266CS..Hα-helixtrans-59.5-26.5-174.9-157.2178000113.1V447 K450 V608 Q612 L613 I619 F620V447-I616 HydrophobicContact CG1-CD1 4.16Å; K450-I616 HydrophobicContact CB-CG2 4.03Å; K450-I616 HydrophobicContact CD-CG2 3.4Å; K450-I616 VanDerWaalsContact CD-CG2 3.4Å; K450-I616 HydrophobicContact CG-CG2 4.31Å; V608-I616 HydrophobicContact CG1-CB 4.49Å; V608-I616 HydrophobicContact CG1-CD1 4.03Å; V608-I616 HydrophobicContact CG1-CG1 4.26Å; V608-I616 HydrophobicContact CG2-CG1 4.26Å; Q612-I616 PolarHBondContact O-N 2.6Å; Q612-I616 VanDerWaalsContact O-N 3.12Å; L613-I616 HydrophobicContact CD1-CD1 4.21Å; L613-I616 HydrophobicContact CD1-CG2 4.3Å; L613-I616 WeakPolarHBondContact O-CG2 3.44Å; L613-I616 PolarHBondContact O-N 3.36Å; I616-I619 WeakPolarHBondContact O-CB 3.38Å; I616-I619 PolarHBondContact O-N 3.1Å; I616-F620 HydrophobicContact CD1-CE1 4.21Å; I616-F620 HydrophobicContact CD1-CE2 4.1Å; I616-F620 HydrophobicContact CD1-CZ 3.61Å; I616-F620 HydrophobicContact CG1-CD2 4.5Å; I616-F620 HydrophobicContact CG1-CE1 4.06Å; I616-F620 HydrophobicContact CG1-CE2 3.97Å; I616-F620 HydrophobicContact CG1-CZ 3.74Å; I616-F620 HydrophobicContact CG2-CE2 4.27Å; I616-F620 WeakPolarHBondContact O-CD2 3.43Å; I616-F620 WeakPolarHBondContact O-CG 3.49Å; I616-F620 PolarHBondContact O-N 3.01Å
617V94.1Very high93.5Very high45 Ų4552.9 Ų52.927%0.27326%0.259SS..Hα-helixtrans-62.5-46.7174.4177.70000110.6Y454 Q615 I619 F620 D621Y454-V617 HydrophobicContact CD1-CG2 4.34Å; Y454-V617 HydrophobicContact CD2-CG2 3.91Å; Y454-V617 HydrophobicContact CG-CG1 4.46Å; Y454-V617 HydrophobicContact CG-CG2 3.78Å; Q615-V617 PolarHBondContact O-N 3.19Å; V617-I619 VanDerWaalsContact C-N 3.31Å; V617-I619 PolarHBondContact O-N 3.36Å; V617-F620 PolarHBondContact O-N 3.43Å; V617-D621 PolarHBondContact O-N 2.96Å
618H95Very high93.4Very high134 Ų13453.9 Ų53.962%0.6227%0.273SS*.Hα-helixtrans-64.6-37.1175179.1-88.1000111.7Q615 F620 D621 E622Q615-H618 WeakPolarHBondContact O-CB 3.44Å; Q615-H618 PolarHBondContact O-N 3.32Å; H618-F620 VanDerWaalsContact C-N 3.33Å; H618-F620 PolarHBondContact O-N 2.81Å; H618-D621 PolarHBondContact O-N 3.11Å; H618-E622 WeakPolarHBondContact O-CB 3.4Å; H618-E622 PolarHBondContact O-N 3.28Å
619I95.2Very high93.1Very high14 Ų1460.4 Ų60.47%0.07230%0.301CS..Hα-helixtrans-60.6-44.5173.5-64.7173.2000110.3F606 V608 Q615 I616 V617 D621 E622 V623 V635F606-I619 HydrophobicContact CB-CD1 4.44Å; F606-I619 HydrophobicContact CB-CG2 3.78Å; F606-I619 HydrophobicContact CD1-CG1 4.18Å; F606-I619 HydrophobicContact CD1-CG2 3.87Å; F606-I619 HydrophobicContact CD2-CG2 4.14Å; F606-I619 HydrophobicContact CG-CG2 3.65Å; V608-I619 HydrophobicContact CG2-CD1 3.58Å; Q615-I619 PolarHBondContact O-N 2.9Å; Q615-I619 VanDerWaalsContact O-N 3.11Å; I616-I619 WeakPolarHBondContact O-CB 3.38Å; I616-I619 PolarHBondContact O-N 3.1Å; V617-I619 VanDerWaalsContact C-N 3.31Å; V617-I619 PolarHBondContact O-N 3.36Å; I619-D621 PolarHBondContact O-N 3.32Å; I619-E622 PolarHBondContact O-N 3.17Å; I619-V623 HydrophobicContact CG2-CG1 4.46Å; I619-V623 WeakPolarHBondContact O-CG2 3.39Å; I619-V623 PolarHBondContact O-N 3.34Å; I619-V635 HydrophobicContact CG2-CG1 4.15Å; I619-V635 HydrophobicContact CG2-CG2 3.95Å
620F96.1Very high92.9Very high0 Ų059.7 Ų59.70%030%0.302CS..Hα-helixtrans-61.7-40.3176.7-68.4-30.1000112.9K450 L451 W518 V546 I616 V617 H618 V623 K624K450-F620 HydrophobicContact CB-CE2 4.32Å; L451-F620 HydrophobicContact CB-CE2 4.23Å; L451-F620 HydrophobicContact CB-CZ 4.01Å; L451-F620 HydrophobicContact CD1-CE1 4.23Å; L451-F620 HydrophobicContact CD1-CE2 4.49Å; L451-F620 HydrophobicContact CD1-CZ 4.09Å; W518-F620 HydrophobicContact CH2-CB 4.34Å; W518-F620 AromaticContact CH2-CD1 3.95Å; W518-F620 HydrophobicContact CH2-CD1 3.95Å; W518-F620 HydrophobicContact CH2-CG 4.33Å; W518-F620 AromaticContact CZ3-CD1 3.94Å; W518-F620 HydrophobicContact CZ3-CD1 3.94Å; W518-F620 HydrophobicContact CZ3-CE1 4.26Å; V546-F620 HydrophobicContact CG2-CE1 4.35Å; I616-F620 HydrophobicContact CD1-CE1 4.21Å; I616-F620 HydrophobicContact CD1-CE2 4.1Å; I616-F620 HydrophobicContact CD1-CZ 3.61Å; I616-F620 HydrophobicContact CG1-CD2 4.5Å; I616-F620 HydrophobicContact CG1-CE1 4.06Å; I616-F620 HydrophobicContact CG1-CE2 3.97Å; I616-F620 HydrophobicContact CG1-CZ 3.74Å; I616-F620 HydrophobicContact CG2-CE2 4.27Å; I616-F620 WeakPolarHBondContact O-CD2 3.43Å; I616-F620 WeakPolarHBondContact O-CG 3.49Å; I616-F620 PolarHBondContact O-N 3.01Å; V617-F620 PolarHBondContact O-N 3.43Å; H618-F620 VanDerWaalsContact C-N 3.33Å; H618-F620 PolarHBondContact O-N 2.81Å; F620-V623 WeakPolarHBondContact O-CG2 3.45Å; F620-K624 WeakPolarHBondContact O-CB 3.45Å; F620-K624 WeakPolarHBondContact O-CE 3.47Å; F620-K624 VanDerWaalsContact O-CG 3.3Å; F620-K624 WeakPolarHBondContact O-CG 3.27Å; F620-K624 PolarHBondContact O-N 2.94Å; F620-K624 VanDerWaalsContact O-N 3.1Å
621D95.1Very high92.9Very high79 Ų7958.3 Ų58.342%0.42230%0.298SS..Hα-helixtrans-64-41.4174.3-68.6-28.4000112.1V617 H618 I619 K624 R625V617-D621 PolarHBondContact O-N 2.96Å; H618-D621 PolarHBondContact O-N 3.11Å; I619-D621 PolarHBondContact O-N 3.32Å; D621-K624 PolarHBondContact O-N 2.62Å; D621-K624 WeakPolarHBondContact OD1-CE 3.43Å; D621-K624 IonicContact OD1-NZ 3.3Å; D621-K624 PolarHBondContact OD1-NZ 3.3Å; D621-R625 WeakPolarHBondContact O-CB 3.42Å; D621-R625 PolarHBondContact O-N 2.73Å
622E94.7Very high93.3Very high39 Ų3954 Ų5418%0.18227%0.27CS..Hα-helixtrans-66-45.517817960.6-175.100112.5F606 H618 I619 K624 R625 L626F606-E622 HydrophobicContact CE1-CG 4.11Å; F606-E622 HydrophobicContact CZ-CB 4.43Å; F606-E622 HydrophobicContact CZ-CG 3.68Å; H618-E622 WeakPolarHBondContact O-CB 3.4Å; H618-E622 PolarHBondContact O-N 3.28Å; I619-E622 PolarHBondContact O-N 3.17Å; E622-K624 VanDerWaalsContact C-N 3.32Å; E622-K624 PolarHBondContact O-N 2.86Å; E622-R625 VanDerWaalsContact CD-NH2 3.34Å; E622-R625 CarbonylContact O-C 3.55Å; E622-R625 WeakPolarHBondContact O-CA 3.36Å; E622-R625 WeakPolarHBondContact O-CB 3.33Å; E622-R625 PolarHBondContact O-N 2.89Å; E622-R625 VanDerWaalsContact O-N 3.1Å; E622-R625 IonicContact OE1-CZ 3.53Å; E622-R625 IonicContact OE1-NE 3.3Å; E622-R625 IonicContact OE1-NH2 2.84Å; E622-R625 PolarHBondContact OE1-NH2 2.71Å; E622-R625 IonicContact OE2-CZ 3.96Å; E622-R625 IonicContact OE2-NE 3.5Å; E622-R625 PolarHBondContact OE2-NE 2.84Å; E622-R625 IonicContact OE2-NH2 3.36Å; E622-R625 PolarHBondContact OE2-NH2 3.11Å; E622-L626 HydrophobicContact CG-CD1 4.22Å; E622-L626 WeakPolarHBondContact O-CG 3.31Å; E622-L626 PolarHBondContact O-N 2.75Å
623V94.6Very high93.6Very high0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-66-33.3177.4-64.20000112.7W518 I544 F606 I619 F620 L626 S627 S633 V635W518-V623 HydrophobicContact CH2-CG2 3.82Å; W518-V623 HydrophobicContact CZ3-CG2 4.16Å; I544-V623 HydrophobicContact CD1-CB 4.14Å; I544-V623 HydrophobicContact CD1-CG2 3.92Å; I544-V623 HydrophobicContact CG1-CB 4.18Å; I544-V623 HydrophobicContact CG1-CG2 4.36Å; I544-V623 HydrophobicContact CG2-CB 3.9Å; I544-V623 HydrophobicContact CG2-CG1 4.4Å; I544-V623 HydrophobicContact CG2-CG2 3.73Å; F606-V623 HydrophobicContact CD2-CG1 3.69Å; F606-V623 HydrophobicContact CE2-CG1 3.44Å; F606-V623 VanDerWaalsContact CE2-CG1 3.44Å; F606-V623 HydrophobicContact CZ-CG1 4.29Å; I619-V623 HydrophobicContact CG2-CG1 4.46Å; I619-V623 WeakPolarHBondContact O-CG2 3.39Å; I619-V623 PolarHBondContact O-N 3.34Å; F620-V623 WeakPolarHBondContact O-CG2 3.45Å; V623-L626 PolarHBondContact O-N 3.39Å; V623-S627 WeakPolarHBondContact O-CB 3.41Å; V623-S627 PolarHBondContact O-N 2.85Å; V623-S633 WeakPolarHBondContact CB-OG 3.18Å; V623-S633 WeakPolarHBondContact CG1-OG 3.35Å; V623-V635 HydrophobicContact CG1-CG2 3.81Å
624K95.4Very high93.9Very high51 Ų5149.4 Ų49.422%0.22225%0.248CC..Hα-helixtrans-62.8-43.8169.9-75.3179.1-62.1-175.10110.8T516 W518 I544 F620 D621 E622 L626 S627 S628T516-K624 HydrophobicContact CG2-CG 4.44Å; W518-K624 HydrophobicContact CH2-CG 4.34Å; W518-K624 HydrophobicContact CZ2-CD 4.16Å; W518-K624 HydrophobicContact CZ2-CG 3.76Å; I544-K624 HydrophobicContact CD1-CG 4.46Å; F620-K624 WeakPolarHBondContact O-CB 3.45Å; F620-K624 WeakPolarHBondContact O-CE 3.47Å; F620-K624 VanDerWaalsContact O-CG 3.3Å; F620-K624 WeakPolarHBondContact O-CG 3.27Å; F620-K624 PolarHBondContact O-N 2.94Å; F620-K624 VanDerWaalsContact O-N 3.1Å; D621-K624 PolarHBondContact O-N 2.62Å; D621-K624 WeakPolarHBondContact OD1-CE 3.43Å; D621-K624 IonicContact OD1-NZ 3.3Å; D621-K624 PolarHBondContact OD1-NZ 3.3Å; E622-K624 VanDerWaalsContact C-N 3.32Å; E622-K624 PolarHBondContact O-N 2.86Å; K624-L626 VanDerWaalsContact C-N 3.32Å; K624-L626 PolarHBondContact O-N 3.01Å; K624-S627 PolarHBondContact O-N 3.5Å; K624-S628 PolarHBondContact O-N 3.36Å
625R94.6Very high94.2Very high88 Ų8841.5 Ų41.533%0.33221%0.211SC..Hα-helixtrans-64.7-32.1176.1-164.5-160.961.163.8-13.8113D621 E622 S628 K629D621-R625 WeakPolarHBondContact O-CB 3.42Å; D621-R625 PolarHBondContact O-N 2.73Å; E622-R625 VanDerWaalsContact CD-NH2 3.34Å; E622-R625 CarbonylContact O-C 3.55Å; E622-R625 WeakPolarHBondContact O-CA 3.36Å; E622-R625 WeakPolarHBondContact O-CB 3.33Å; E622-R625 PolarHBondContact O-N 2.89Å; E622-R625 VanDerWaalsContact O-N 3.1Å; E622-R625 IonicContact OE1-CZ 3.53Å; E622-R625 IonicContact OE1-NE 3.3Å; E622-R625 IonicContact OE1-NH2 2.84Å; E622-R625 PolarHBondContact OE1-NH2 2.71Å; E622-R625 IonicContact OE2-CZ 3.96Å; E622-R625 IonicContact OE2-NE 3.5Å; E622-R625 PolarHBondContact OE2-NE 2.84Å; E622-R625 IonicContact OE2-NH2 3.36Å; E622-R625 PolarHBondContact OE2-NH2 3.11Å; R625-S628 PolarHBondContact O-OG 2.9Å; R625-K629 VanDerWaalsContact NH1-CD 3.33Å; R625-K629 WeakPolarHBondContact O-CG 3.33Å
626L92.5Very high94.5Very high3 Ų335.8 Ų35.82%0.01618%0.184CC..Hα-helixtrans-73.4-45.1174.1-68.7167.8000111.1V603 N604 F606 E622 V623 K624 S628 K629 G630 I631V603-L626 HydrophobicContact CG1-CD2 4.04Å; V603-L626 WeakPolarHBondContact O-CD1 3.19Å; N604-L626 HydrophobicContact CB-CD1 4.03Å; F606-L626 HydrophobicContact CE2-CD1 4.11Å; F606-L626 HydrophobicContact CZ-CD1 4.13Å; E622-L626 HydrophobicContact CG-CD1 4.22Å; E622-L626 WeakPolarHBondContact O-CG 3.31Å; E622-L626 PolarHBondContact O-N 2.75Å; V623-L626 PolarHBondContact O-N 3.39Å; K624-L626 VanDerWaalsContact C-N 3.32Å; K624-L626 PolarHBondContact O-N 3.01Å; L626-S628 VanDerWaalsContact C-N 3.32Å; L626-S628 PolarHBondContact O-N 3.12Å; L626-K629 CarbonylContact O-C 3.47Å; L626-K629 WeakPolarHBondContact O-CA 3.2Å; L626-K629 WeakPolarHBondContact O-CB 3.23Å; L626-K629 PolarHBondContact O-N 3.27Å; L626-G630 PolarHBondContact O-N 2.95Å; L626-I631 CarbonylContact C-O 3.55Å; L626-I631 VanDerWaalsContact C-O 3.31Å; L626-I631 HydrophobicContact CB-CB 4.19Å; L626-I631 HydrophobicContact CB-CG2 4.43Å; L626-I631 HydrophobicContact CD2-CD1 4.18Å; L626-I631 HydrophobicContact CD2-CG2 4.43Å; L626-I631 WeakPolarHBondContact O-CB 2.86Å; L626-I631 PolarHBondContact O-N 3.34Å
627S94Very high94.7Very high4 Ų435.8 Ų35.83%0.02818%0.184CC..Hα-helixtrans-58.4-41.4175.3172.30000112P542 V623 K624 K629 G630 I631P542-S627 WeakPolarHBondContact CG-O 3.26Å; V623-S627 WeakPolarHBondContact O-CB 3.41Å; V623-S627 PolarHBondContact O-N 2.85Å; K624-S627 PolarHBondContact O-N 3.5Å; S627-K629 PolarHBondContact O-N 2.92Å; S627-G630 PolarHBondContact O-N 3.24Å; S627-I631 PolarHBondContact N-O 2.97Å
628S92.8Very high94.9Very high99 Ų9934.5 Ų34.569%0.69218%0.175SC*.THydrogen-bonded Turntrans-65.9-20.4175.569.80000113.7K624 R625 L626K624-S628 PolarHBondContact O-N 3.36Å; R625-S628 PolarHBondContact O-OG 2.9Å; L626-S628 VanDerWaalsContact C-N 3.32Å; L626-S628 PolarHBondContact O-N 3.12Å
629K90.8Very high95Very high136 Ų13628.2 Ų28.259%0.59115%0.146SC*.THydrogen-bonded Turntrans-92.28.9173.4-68.9-175.8-179178.60113.9R625 L626 S627 I631R625-K629 VanDerWaalsContact NH1-CD 3.33Å; R625-K629 WeakPolarHBondContact O-CG 3.33Å; L626-K629 CarbonylContact O-C 3.47Å; L626-K629 WeakPolarHBondContact O-CA 3.2Å; L626-K629 WeakPolarHBondContact O-CB 3.23Å; L626-K629 PolarHBondContact O-N 3.27Å; S627-K629 PolarHBondContact O-N 2.92Å; K629-I631 HydrophobicContact CB-CD1 4.33Å; K629-I631 HydrophobicContact CB-CG1 4.48Å
630G90.8Very high95Very high21 Ų2127.8 Ų27.822%0.21615%0.145CC..THydrogen-bonded Turntrans84.76.9-179.400000114.5L626 S627L626-G630 PolarHBondContact O-N 2.95Å; S627-G630 PolarHBondContact O-N 3.24Å
631I92.1Very high94.6Very high37 Ų3732.1 Ų32.119%0.1918%0.181CC..  trans-104.1115.9-171-57.9171.3000110.4P542 N604 L626 S627 K629P542-I631 VanDerWaalsContact CB-C 3.49Å; N604-I631 HydrophobicContact CB-CG2 4.11Å; N604-I631 WeakPolarHBondContact ND2-CG2 3.43Å; L626-I631 CarbonylContact C-O 3.55Å; L626-I631 VanDerWaalsContact C-O 3.31Å; L626-I631 HydrophobicContact CB-CB 4.19Å; L626-I631 HydrophobicContact CB-CG2 4.43Å; L626-I631 HydrophobicContact CD2-CD1 4.18Å; L626-I631 HydrophobicContact CD2-CG2 4.43Å; L626-I631 WeakPolarHBondContact O-CB 2.86Å; L626-I631 PolarHBondContact O-N 3.34Å; S627-I631 PolarHBondContact N-O 2.97Å; K629-I631 HydrophobicContact CB-CD1 4.33Å; K629-I631 HydrophobicContact CB-CG1 4.48Å
632P95.5Very high94.4Very high0 Ų029.5 Ų29.50%017%0.169CC..  trans-69156.1172.322.2-24.3000111.5L536 P542 A543 C585 N604L536-P632 HydrophobicContact CB-CB 4.22Å; L536-P632 HydrophobicContact CB-CG 4.09Å; P542-P632 HydrophobicContact CB-CB 4.41Å; A543-P632 WeakPolarHBondContact O-CA 3.01Å; C585-P632 HydrophobicContact CB-CG 3.88Å; C585-P632 WeakPolarHBondContact CB-O 3.15Å; N604-P632 WeakPolarHBondContact CB-O 3.47Å; N604-P632 PolarHBondContact ND2-O 2.74Å
633S95.6Very high94Very high0 Ų031.6 Ų31.60%019%0.188CC..EExtended strand (participates in β ladder)trans-145.4160.9-176.953.30000113W533 A543 A545 N604 V623W533-S633 PolarHBondContact NE1-O 3.32Å; A543-S633 PolarHBondContact O-N 2.85Å; A543-S633 VanDerWaalsContact O-N 3.09Å; A545-S633 PolarHBondContact N-O 3.23Å; N604-S633 CarbonylContact O-C 3.49Å; N604-S633 WeakPolarHBondContact O-CA 3.48Å; N604-S633 VanDerWaalsContact O-CB 3.31Å; N604-S633 WeakPolarHBondContact O-CB 3.45Å; V623-S633 WeakPolarHBondContact CB-OG 3.18Å; V623-S633 WeakPolarHBondContact CG1-OG 3.35Å
634V96.8Very high93.8Very high0 Ų033.9 Ų33.90%020%0.198CC..EExtended strand (participates in β ladder)trans-129124.2178.9179.50000109.6L530 W533 A545 I547 G581 N604 G605 F606L530-V634 HydrophobicContact CD1-CG2 3.98Å; W533-V634 HydrophobicContact CG-CG2 4.4Å; A545-V634 HydrophobicContact CB-CB 4.47Å; A545-V634 HydrophobicContact CB-CG1 4.35Å; A545-V634 HydrophobicContact CB-CG2 4.21Å; I547-V634 HydrophobicContact CD1-CG1 3.72Å; I547-V634 HydrophobicContact CG1-CG1 4.47Å; G581-V634 VanDerWaalsContact CA-CG2 3.47Å; N604-V634 PolarHBondContact O-N 2.75Å; G605-V634 CarbonylContact C-O 3.57Å; G605-V634 WeakPolarHBondContact CA-O 3.42Å; F606-V634 PolarHBondContact N-O 3.32Å
635V96.8Very high93.5Very high0 Ų032.9 Ų32.90%019%0.192CC..EExtended strand (participates in β ladder)trans-109.1104.5169.6-171.80000107.5A545 V546 I547 F606 V608 I619 V623A545-V635 PolarHBondContact O-N 3.14Å; V546-V635 WeakPolarHBondContact CA-O 3.43Å; I547-V635 PolarHBondContact N-O 3.35Å; F606-V635 HydrophobicContact CB-CG1 4.45Å; F606-V635 HydrophobicContact CB-CG2 4.44Å; F606-V635 HydrophobicContact CD2-CG2 4.33Å; F606-V635 CarbonylContact O-C 3.42Å; F606-V635 WeakPolarHBondContact O-CA 2.97Å; V608-V635 HydrophobicContact CG2-CG1 3.76Å; I619-V635 HydrophobicContact CG2-CG1 4.15Å; I619-V635 HydrophobicContact CG2-CG2 3.95Å; V623-V635 HydrophobicContact CG1-CG2 3.81Å
636N97.3Very high93Very high1 Ų135.5 Ų35.51%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-92.1105.5177.7-174.219.8000109N549 T575 Y577 E578 F606 L607 V608N549-N636 VanDerWaalsContact CB-OD1 3.24Å; N549-N636 WeakPolarHBondContact CB-OD1 3.47Å; N549-N636 PolarHBondContact ND2-ND2 2.97Å; N549-N636 PolarHBondContact ND2-OD1 3.24Å; T575-N636 PolarHBondContact O-ND2 3.49Å; T575-N636 VanDerWaalsContact O-ND2 3.08Å; Y577-N636 PolarHBondContact N-ND2 3.38Å; E578-N636 HydrophobicContact CB-CB 4.18Å; E578-N636 WeakPolarHBondContact OE2-CB 3.39Å; E578-N636 PolarHBondContact OE2-ND2 3.25Å; F606-N636 PolarHBondContact O-N 3.15Å; L607-N636 HydrophobicContact CD1-CB 4.45Å; V608-N636 PolarHBondContact N-O 3.02Å
637C98.2Very high92.3Very high0 Ų039.1 Ų39.10%025%0.247CC..EExtended strand (participates in β ladder)trans-97.8110.2-179.4-620000109.4V447 I547 N549 V608 I639V447-C637 HydrophobicContact CG1-CB 4.1Å; V447-C637 HydrophobicContact CG2-CB 4.38Å; I547-C637 WeakPolarHBondContact O-CA 3.34Å; I547-C637 WeakPolarHBondContact O-CB 3.35Å; I547-C637 PolarHBondContact O-N 2.86Å; N549-C637 PolarHBondContact N-O 3.26Å; V608-C637 CarbonylContact O-C 3.47Å; V608-C637 WeakPolarHBondContact O-CA 3.43Å; C637-I639 HydrophobicContact CB-CG2 4.34Å; C637-I639 PolarHBondContact O-N 3.05Å
638L98.3Very high91.4Very high18 Ų1840.6 Ų40.69%0.09426%0.257CS..EExtended strand (participates in β ladder)trans-67.2123169.4-54.5-168.4000108.1H441 N442 N549 Y574 L607 V608 D609H441-L638 HydrophobicContact CB-CB 4.23Å; N442-L638 VanDerWaalsContact CB-O 3.27Å; N442-L638 WeakPolarHBondContact CB-O 3.48Å; N442-L638 PolarHBondContact N-O 3.24Å; N442-L638 PolarHBondContact ND2-O 3.47Å; N549-L638 HydrophobicContact CB-CD2 4.15Å; N549-L638 WeakPolarHBondContact O-CA 3.45Å; Y574-L638 HydrophobicContact CD1-CD2 3.93Å; L607-L638 HydrophobicContact CD1-CD1 4.29Å; L607-L638 HydrophobicContact CD1-CD2 4.03Å; L607-L638 HydrophobicContact CD1-CG 3.91Å; V608-L638 PolarHBondContact O-N 3.42Å; D609-L638 HydrophobicContact CB-CB 4.37Å; D609-L638 HydrophobicContact CB-CD1 4.23Å; D609-L638 HydrophobicContact CB-CG 4.47Å
639I97.7Very high89.8Confident2 Ų242.2 Ų42.21%0.0126%0.257CS..BIsolated β-bridgetrans-127148.3-17651.5159000111.3N442 P444 V447 F473 N549 D550 C637N442-I639 HydrophobicContact CB-CG2 4.28Å; N442-I639 CarbonylContact O-C 3.51Å; N442-I639 VanDerWaalsContact O-CA 3.24Å; N442-I639 WeakPolarHBondContact O-CA 3.39Å; P444-I639 HydrophobicContact CB-CB 4.18Å; P444-I639 HydrophobicContact CB-CD1 3.95Å; P444-I639 HydrophobicContact CB-CG2 4.16Å; V447-I639 HydrophobicContact CG2-CG2 4.05Å; F473-I639 HydrophobicContact CB-CD1 4.08Å; F473-I639 HydrophobicContact CD2-CD1 3.75Å; F473-I639 HydrophobicContact CE2-CD1 4.47Å; F473-I639 HydrophobicContact CE2-CG2 4.5Å; F473-I639 HydrophobicContact CG-CD1 4.14Å; N549-I639 PolarHBondContact O-N 3.21Å; D550-I639 WeakPolarHBondContact CA-O 3.45Å; D550-I639 HydrophobicContact CB-CD1 4.16Å; D550-I639 HydrophobicContact CB-CG1 3.92Å; D550-I639 WeakPolarHBondContact CB-O 3.46Å; C637-I639 HydrophobicContact CB-CG2 4.34Å; C637-I639 PolarHBondContact O-N 3.05Å
640A95.3Very high88.3Confident6 Ų636.7 Ų36.75%0.0524%0.235CC..  trans-81.4156.3173.400000110.6A439 N442 P444A439-A640 VanDerWaalsContact O-CB 3.26Å; A439-A640 WeakPolarHBondContact O-CB 3.4Å; N442-A640 PolarHBondContact O-N 2.93Å; P444-A640 WeakPolarHBondContact CD-O 3.49Å
641A88.6Confident86.2Confident90 Ų9043.4 Ų43.474%0.74427%0.272SS*.  trans-58.7145.5166.700000110.6
642S89.1Confident85.9Confident24 Ų2443.7 Ų43.717%0.16828%0.276CS..  trans-131.5139.4-180-178.80000111.9R558 F644R558-S642 PolarHBondContact NH1-O 2.97Å; R558-S642 PolarHBondContact NH2-O 3.39Å; S642-F644 VanDerWaalsContact C-N 3.28Å; S642-F644 VanDerWaalsContact OG-CB 3.3Å; S642-F644 WeakPolarHBondContact OG-CB 3.24Å; S642-F644 PolarHBondContact OG-N 3.36Å; S642-F644 VanDerWaalsContact OG-N 3.12Å
643S87.6Confident85.4Confident83 Ų8346 Ų4658%0.5829%0.29SS*.SBendtrans-82.9-0.7170.355.90000113R645 E646S643-R645 PolarHBondContact O-N 3.15Å; S643-E646 WeakPolarHBondContact CB-OE2 3.46Å; S643-E646 WeakPolarHBondContact O-CB 3.38Å; S643-E646 PolarHBondContact O-N 3.07Å
644F90.1Very high84.9Confident48 Ų4848.6 Ų48.621%0.21131%0.306CS..THydrogen-bonded Turntrans-53.5-32.1-177.8179.6-109.5000113.9I430 L445 Y479 S642I430-F644 HydrophobicContact CD1-CZ 4.22Å; I430-F644 HydrophobicContact CG1-CE2 3.86Å; I430-F644 HydrophobicContact CG1-CZ 3.8Å; L445-F644 HydrophobicContact CD1-CB 3.93Å; L445-F644 HydrophobicContact CD1-CD1 4.41Å; L445-F644 HydrophobicContact CD1-CD2 3.66Å; L445-F644 HydrophobicContact CD1-CE2 4.3Å; L445-F644 HydrophobicContact CD1-CG 3.73Å; L445-F644 HydrophobicContact CD2-CB 4.11Å; L445-F644 HydrophobicContact CD2-CD1 3.56Å; L445-F644 HydrophobicContact CD2-CD2 4.3Å; L445-F644 HydrophobicContact CD2-CE1 4.04Å; L445-F644 HydrophobicContact CD2-CG 3.72Å; L445-F644 HydrophobicContact CG-CB 4.39Å; L445-F644 HydrophobicContact CG-CG 4.29Å; Y479-F644 HydrophobicContact CD2-CE1 4.29Å; Y479-F644 HydrophobicContact CG-CE1 4.19Å; Y479-F644 HydrophobicContact CG-CZ 4.35Å; S642-F644 VanDerWaalsContact C-N 3.28Å; S642-F644 VanDerWaalsContact OG-CB 3.3Å; S642-F644 WeakPolarHBondContact OG-CB 3.24Å; S642-F644 PolarHBondContact OG-N 3.36Å; S642-F644 VanDerWaalsContact OG-N 3.12Å
645R88.8Confident84.2Confident30 Ų3051.4 Ų51.411%0.11333%0.325CS..THydrogen-bonded Turntrans-102.712.8178-61.7-169.864.2-139.83.5114.1D472 S476 S643 G647 S648D472-R645 WeakPolarHBondContact OD1-CD 3.44Å; D472-R645 IonicContact OD1-CZ 3.98Å; D472-R645 IonicContact OD1-NE 3.53Å; D472-R645 IonicContact OD1-NH1 2.83Å; D472-R645 PolarHBondContact OD1-NH1 3.13Å; S476-R645 WeakPolarHBondContact OG-CD 3.2Å; S643-R645 PolarHBondContact O-N 3.15Å; R645-G647 PolarHBondContact O-N 2.87Å; R645-S648 WeakPolarHBondContact O-CB 3.33Å; R645-S648 PolarHBondContact O-N 2.85Å; R645-S648 PolarHBondContact O-OG 2.87Å; R645-S648 VanDerWaalsContact O-OG 3.05Å
646E84.3Confident83.4Confident144 Ų14454.6 Ų54.667%0.67335%0.345SS*.THydrogen-bonded Turntrans-56.3136.3177.2-166.2170.2-174.200111.2S643 S648S643-E646 WeakPolarHBondContact CB-OE2 3.46Å; S643-E646 WeakPolarHBondContact O-CB 3.38Å; S643-E646 PolarHBondContact O-N 3.07Å; E646-S648 VanDerWaalsContact C-N 3.27Å; E646-S648 PolarHBondContact O-N 3.23Å
647G77.5Confident82.4Confident79 Ų7958.2 Ų58.281%0.81437%0.367SS*.THydrogen-bonded Turntrans78.7-3.2-172.600000115.8R645R645-G647 PolarHBondContact O-N 2.87Å
648S74.4Confident81.3Confident34 Ų3462.4 Ų62.424%0.23839%0.394CS..  trans-75.7126.3167.6-59.50000109.9R645 E646R645-S648 WeakPolarHBondContact O-CB 3.33Å; R645-S648 PolarHBondContact O-N 2.85Å; R645-S648 PolarHBondContact O-OG 2.87Å; R645-S648 VanDerWaalsContact O-OG 3.05Å; E646-S648 VanDerWaalsContact C-N 3.27Å; E646-S648 PolarHBondContact O-N 3.23Å
649L61Low80Confident134 Ų13465.8 Ų65.870%0.70242%0.417SS*.  trans-67.5139.2175.3-69.1169.1000111V651L649-V651 HydrophobicContact CB-CG2 4.23Å
650S58.3Low78.5Confident19 Ų1971.1 Ų71.113%0.13345%0.451CS..  trans-89.9-8.2-178.9-49.70000114.5Q555 D559Q555-S650 WeakPolarHBondContact O-CB 3.4Å; Q555-S650 PolarHBondContact O-OG 3.44Å; D559-S650 VanDerWaalsContact CG-OG 3.25Å; D559-S650 WeakPolarHBondContact OD2-CB 3.41Å; D559-S650 PolarHBondContact OD2-N 2.72Å; D559-S650 PolarHBondContact OD2-OG 2.73Å
651V47.3Very low77Confident162 Ų16277 Ų7798%0.98249%0.487SS*.  trans-88.40-172.8-95.50000114.7L649L649-V651 HydrophobicContact CB-CG2 4.23Å

Retrieved 651 of 651 residues in 1061.2 ms (Link to these results)

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