A0A087XY74_POEFO Loading...

PNKD metallo-beta-lactamase domain containing

AlphaFold DB , UniProt , Accession A0A087XY74, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 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
1A46.5Very low55.5Low158 Ų158111 Ų111100%1.30666%0.656SS**  0106.8000000107.7A3A1-A3 PolarHBondContact O-N 3.38Å
2M46.4Very low55.6Low194 Ų194111.3 Ų111.396%0.95665%0.651SS**  trans-78.6111.5-179.5-74.8174.565.700108.8
3A54.5Low55.7Low97 Ų97110.2 Ų110.280%0.80265%0.647SS**PPolyproline II helixtrans-69.7130.8171.800000109.2A1A1-A3 PolarHBondContact O-N 3.38Å
4L54.4Low55.5Low119 Ų119106.4 Ų106.462%0.62363%0.634SS**PPolyproline II helixtrans-62.2136.6173.4-78.2159.3000109.2I8L4-I8 HydrophobicContact CD2-CD1 4Å
5P61Low55.5Low65 Ų65103.4 Ų103.442%0.42263%0.625SS.*PPolyproline II helixtrans-64.1140.4179.723.3-31.8000111.6W7 I8P5-W7 PolarHBondContact O-N 3Å; P5-I8 HydrophobicContact CG-CD1 3.84Å; P5-I8 HydrophobicContact CG-CG1 4.22Å; P5-I8 PolarHBondContact O-N 3.37Å
6D57Low55.4Low140 Ų140102.1 Ų102.175%0.74962%0.622SS**Hα-helixtrans-53.8-24.5-169.2-71.2-33.8000115.1I8 V9 T10D6-I8 VanDerWaalsContact C-N 3.33Å; D6-I8 PolarHBondContact O-N 2.83Å; D6-V9 PolarHBondContact O-N 2.85Å; D6-T10 PolarHBondContact O-N 3.27Å; D6-T10 VanDerWaalsContact O-N 3.16Å; D6-T10 PolarHBondContact O-OG1 3.19Å
7W56.2Low55.2Low169 Ų169104 Ų10464%0.6462%0.62SS**Hα-helixtrans-69.8-26.5177.669.9-95.9000113.6P5 T10 S11P5-W7 PolarHBondContact O-N 3Å; W7-T10 VanDerWaalsContact CA-OG1 3.31Å; W7-T10 WeakPolarHBondContact CA-OG1 3.4Å; W7-T10 PolarHBondContact O-OG1 3.01Å; W7-S11 WeakPolarHBondContact O-CB 3.1Å; W7-S11 PolarHBondContact O-N 3.11Å; W7-S11 PolarHBondContact O-OG 3.1Å
8I60.2Low55.1Low44 Ų44106.2 Ų106.223%0.22662%0.621CS.*Hα-helixtrans-72.8-40176.6-64.3-179.6000109.9L4 P5 D6 S11 L12L4-I8 HydrophobicContact CD2-CD1 4Å; P5-I8 HydrophobicContact CG-CD1 3.84Å; P5-I8 HydrophobicContact CG-CG1 4.22Å; P5-I8 PolarHBondContact O-N 3.37Å; D6-I8 VanDerWaalsContact C-N 3.33Å; D6-I8 PolarHBondContact O-N 2.83Å; I8-S11 PolarHBondContact O-N 3.17Å; I8-L12 HydrophobicContact CG2-CD1 3.91Å; I8-L12 WeakPolarHBondContact O-CB 3.29Å; I8-L12 PolarHBondContact O-N 2.84Å
9V57.6Low55.2Low75 Ų75104.7 Ų104.746%0.45562%0.616SS.*Hα-helixtrans-65.9-43.9177.5-179.10000110.4D6 S11 L12 V13D6-V9 PolarHBondContact O-N 2.85Å; V9-S11 PolarHBondContact O-N 3.4Å; V9-L12 PolarHBondContact O-N 3.17Å; V9-V13 VanDerWaalsContact O-CG2 3.25Å; V9-V13 WeakPolarHBondContact O-CG2 3.35Å; V9-V13 PolarHBondContact O-N 2.75Å
10T59.3Low54.9Low94 Ų94106.7 Ų106.758%0.57762%0.617SS**Hα-helixtrans-64.9-38.2175.717.40000112.5D6 W7 V13 A14D6-T10 PolarHBondContact O-N 3.27Å; D6-T10 VanDerWaalsContact O-N 3.16Å; D6-T10 PolarHBondContact O-OG1 3.19Å; W7-T10 VanDerWaalsContact CA-OG1 3.31Å; W7-T10 WeakPolarHBondContact CA-OG1 3.4Å; W7-T10 PolarHBondContact O-OG1 3.01Å; T10-V13 PolarHBondContact O-N 3.02Å; T10-A14 WeakPolarHBondContact O-CB 3.17Å; T10-A14 PolarHBondContact O-N 3.38Å
11S57.4Low54.3Low66 Ų66104.6 Ų104.646%0.46260%0.603SS.*Hα-helixtrans-67.4-39.7177.2-60.20000112.7W7 I8 V9 A14 A15W7-S11 WeakPolarHBondContact O-CB 3.1Å; W7-S11 PolarHBondContact O-N 3.11Å; W7-S11 PolarHBondContact O-OG 3.1Å; I8-S11 PolarHBondContact O-N 3.17Å; V9-S11 PolarHBondContact O-N 3.4Å; S11-A14 PolarHBondContact O-N 3.12Å; S11-A15 WeakPolarHBondContact O-CB 3.43Å; S11-A15 PolarHBondContact O-N 3.21Å
12L56.4Low54.5Low115 Ų115100.4 Ų100.460%0.60256%0.564SS**Hα-helixtrans-67.8-39.4176-82.5161.1000112.4I8 V9 A15 S16I8-L12 HydrophobicContact CG2-CD1 3.91Å; I8-L12 WeakPolarHBondContact O-CB 3.29Å; I8-L12 PolarHBondContact O-N 2.84Å; V9-L12 PolarHBondContact O-N 3.17Å; L12-A15 PolarHBondContact O-N 2.85Å; L12-S16 WeakPolarHBondContact O-CB 3.34Å; L12-S16 PolarHBondContact O-N 2.72Å
13V57.8Low54.6Low97 Ų9796.1 Ų96.159%0.58854%0.544SS*.Hα-helixtrans-66.7-42.1176.1172.80000110.9V9 T10 S16 F17V9-V13 VanDerWaalsContact O-CG2 3.25Å; V9-V13 WeakPolarHBondContact O-CG2 3.35Å; V9-V13 PolarHBondContact O-N 2.75Å; T10-V13 PolarHBondContact O-N 3.02Å; V13-S16 PolarHBondContact O-N 3.32Å; V13-F17 WeakPolarHBondContact O-CB 3.48Å; V13-F17 PolarHBondContact O-N 3.47Å
14A52.4Low54.1Low57 Ų5796.9 Ų96.947%0.47153%0.529SS..Hα-helixtrans-64.2-42.917600000112.4T10 S11 F17 F18T10-A14 WeakPolarHBondContact O-CB 3.17Å; T10-A14 PolarHBondContact O-N 3.38Å; S11-A14 PolarHBondContact O-N 3.12Å; A14-F17 PolarHBondContact O-N 3.23Å; A14-F18 PolarHBondContact O-N 3.31Å
15A55.7Low53.5Low61 Ų6196.9 Ų96.950%0.50452%0.524SS..Hα-helixtrans-64.6-40.5176.500000112.3S11 L12 F18 C19S11-A15 WeakPolarHBondContact O-CB 3.43Å; S11-A15 PolarHBondContact O-N 3.21Å; L12-A15 PolarHBondContact O-N 2.85Å; A15-F18 PolarHBondContact O-N 2.74Å; A15-C19 WeakPolarHBondContact O-CB 3.44Å; A15-C19 PolarHBondContact O-N 3.35Å
16S54.3Low52.8Low82 Ų82103 Ų10357%0.57354%0.539SS*.Hα-helixtrans-64.8-41.8175.7-172.50000112L12 V13 C19 F20L12-S16 WeakPolarHBondContact O-CB 3.34Å; L12-S16 PolarHBondContact O-N 2.72Å; V13-S16 PolarHBondContact O-N 3.32Å; S16-C19 PolarHBondContact O-N 3.5Å; S16-F20 WeakPolarHBondContact O-CB 3.49Å; S16-F20 PolarHBondContact O-N 2.99Å
17F51.3Low52.3Low135 Ų135104.2 Ų104.259%0.59253%0.534SS*.Hα-helixtrans-63.3-43.6175.4-173.2-98.8000112.1V13 A14 C19 F20 L21V13-F17 WeakPolarHBondContact O-CB 3.48Å; V13-F17 PolarHBondContact O-N 3.47Å; A14-F17 PolarHBondContact O-N 3.23Å; F17-C19 PolarHBondContact O-N 2.75Å; F17-F20 PolarHBondContact O-N 3.46Å; F17-L21 HydrophobicContact CE1-CD1 4Å; F17-L21 HydrophobicContact CZ-CD1 4.08Å; F17-L21 WeakPolarHBondContact O-CB 3.34Å; F17-L21 PolarHBondContact O-N 2.96Å
18F53.6Low51.6Low143 Ų143103.2 Ų103.263%0.62753%0.53SS*.Hα-helixtrans-64.1-40175.9-121.8-87.8000112.1A14 A15 L21 C22A14-F18 PolarHBondContact O-N 3.31Å; A15-F18 PolarHBondContact O-N 2.74Å; F18-L21 PolarHBondContact O-N 2.76Å; F18-C22 WeakPolarHBondContact O-CB 3.28Å; F18-C22 PolarHBondContact O-N 2.85Å; F18-C22 PolarHBondContact O-SG 3.07Å
19C56.4Low50.9Low78 Ų78109.7 Ų109.753%0.52755%0.552SS.*Hα-helixtrans-64.3-42.5176.4-146.60000111.2A15 S16 F17 C22 L23A15-C19 WeakPolarHBondContact O-CB 3.44Å; A15-C19 PolarHBondContact O-N 3.35Å; S16-C19 PolarHBondContact O-N 3.5Å; F17-C19 PolarHBondContact O-N 2.75Å; C19-C22 PolarHBondContact O-N 2.79Å; C19-L23 WeakPolarHBondContact O-CB 3.44Å; C19-L23 VanDerWaalsContact O-CG 3.29Å; C19-L23 WeakPolarHBondContact O-CG 3.38Å; C19-L23 PolarHBondContact O-N 3.4Å
20F50.1Low50.5Low144 Ų144108.8 Ų108.863%0.63255%0.552SS**Hα-helixtrans-64.7-41.1175.4-162.1-90.6000112.1S16 F17 L23 F24S16-F20 WeakPolarHBondContact O-CB 3.49Å; S16-F20 PolarHBondContact O-N 2.99Å; F17-F20 PolarHBondContact O-N 3.46Å; F20-L23 PolarHBondContact O-N 2.94Å; F20-F24 VanDerWaalsContact O-CB 3.26Å; F20-F24 WeakPolarHBondContact O-CB 3.22Å; F20-F24 PolarHBondContact O-N 3.44Å
21L42.9Very low49.8Very low64 Ų64106.8 Ų106.834%0.33554%0.54SS..Hα-helixtrans-62.7-46.2175.3-146.390.9000110.8F17 F18 L23 F24 F25F17-L21 HydrophobicContact CE1-CD1 4Å; F17-L21 HydrophobicContact CZ-CD1 4.08Å; F17-L21 WeakPolarHBondContact O-CB 3.34Å; F17-L21 PolarHBondContact O-N 2.96Å; F18-L21 PolarHBondContact O-N 2.76Å; L21-L23 PolarHBondContact O-N 3.23Å; L21-F24 PolarHBondContact O-N 2.9Å; L21-F25 HydrophobicContact CD2-CD2 4.21Å; L21-F25 HydrophobicContact CD2-CE2 3.75Å; L21-F25 HydrophobicContact CG-CD2 4.04Å; L21-F25 HydrophobicContact CG-CE2 3.83Å; L21-F25 WeakPolarHBondContact O-CB 3.21Å; L21-F25 WeakPolarHBondContact O-CD2 3.35Å; L21-F25 PolarHBondContact O-N 3.22Å
22C50.1Low49.1Very low70 Ų70109 Ų10947%0.47355%0.546SS..Hα-helixtrans-61.4-42.4176.2-75.90000112.2F18 C19 F25 R26F18-C22 WeakPolarHBondContact O-CB 3.28Å; F18-C22 PolarHBondContact O-N 2.85Å; F18-C22 PolarHBondContact O-SG 3.07Å; C19-C22 PolarHBondContact O-N 2.79Å; C22-F25 PolarHBondContact O-N 3.43Å; C22-R26 WeakPolarHBondContact O-CB 3.15Å; C22-R26 PolarHBondContact O-N 2.83Å
23L48.9Very low48.4Very low104 Ų104107.9 Ų107.955%0.54554%0.538SS..Hα-helixtrans-65.8-40.8174.8-75.4167.7000111.8C19 F20 L21 R26 Y27C19-L23 WeakPolarHBondContact O-CB 3.44Å; C19-L23 VanDerWaalsContact O-CG 3.29Å; C19-L23 WeakPolarHBondContact O-CG 3.38Å; C19-L23 PolarHBondContact O-N 3.4Å; F20-L23 PolarHBondContact O-N 2.94Å; L21-L23 PolarHBondContact O-N 3.23Å; L23-R26 PolarHBondContact O-N 2.85Å; L23-Y27 VanDerWaalsContact O-CB 3.23Å; L23-Y27 WeakPolarHBondContact O-CB 3.31Å; L23-Y27 PolarHBondContact O-N 2.84Å
24F43.8Very low47.8Very low112 Ų112109.7 Ų109.749%0.49154%0.538SS..Hα-helixtrans-64-43175.5-177.7-98.8000111.7F20 L21 Y27 R28F20-F24 VanDerWaalsContact O-CB 3.26Å; F20-F24 WeakPolarHBondContact O-CB 3.22Å; F20-F24 PolarHBondContact O-N 3.44Å; L21-F24 PolarHBondContact O-N 2.9Å; F24-Y27 PolarHBondContact O-N 2.97Å; F24-R28 VanDerWaalsContact O-CB 3.23Å; F24-R28 WeakPolarHBondContact O-CB 3.39Å; F24-R28 PolarHBondContact O-N 3.04Å
25F40.3Very low47.3Very low119 Ų119109.9 Ų109.952%0.52254%0.536SS..Hα-helixtrans-67.6-40174.5-83.8-70.7000112.4L21 C22 R29L21-F25 HydrophobicContact CD2-CD2 4.21Å; L21-F25 HydrophobicContact CD2-CE2 3.75Å; L21-F25 HydrophobicContact CG-CD2 4.04Å; L21-F25 HydrophobicContact CG-CE2 3.83Å; L21-F25 WeakPolarHBondContact O-CB 3.21Å; L21-F25 WeakPolarHBondContact O-CD2 3.35Å; L21-F25 PolarHBondContact O-N 3.22Å; C22-F25 PolarHBondContact O-N 3.43Å; F25-R29 VanDerWaalsContact O-CB 3.23Å; F25-R29 WeakPolarHBondContact O-CB 3.33Å; F25-R29 PolarHBondContact O-N 3.22Å
26R47.5Very low46.8Very low193 Ų193115.3 Ų115.373%0.72854%0.543SS*.Hα-helixtrans-62.8-46.2173.2-106.3176.769.5140.7-3111.7C22 L23 R29 A30C22-R26 WeakPolarHBondContact O-CB 3.15Å; C22-R26 PolarHBondContact O-N 2.83Å; L23-R26 PolarHBondContact O-N 2.85Å; R26-R29 PolarHBondContact O-N 2.83Å; R26-A30 VanDerWaalsContact O-CB 3.3Å; R26-A30 WeakPolarHBondContact O-CB 3.21Å; R26-A30 PolarHBondContact O-N 2.96Å
27Y45.6Very low46.6Very low166 Ų166117.7 Ų117.765%0.65154%0.543SS*.Hα-helixtrans-62-52.3177.6-173-99.6000109.7L23 F24 R29 A30 T31L23-Y27 VanDerWaalsContact O-CB 3.23Å; L23-Y27 WeakPolarHBondContact O-CB 3.31Å; L23-Y27 PolarHBondContact O-N 2.84Å; F24-Y27 PolarHBondContact O-N 2.97Å; Y27-R29 VanDerWaalsContact C-N 3.28Å; Y27-R29 PolarHBondContact O-N 3.3Å; Y27-A30 CarbonylContact O-C 3.59Å; Y27-A30 PolarHBondContact O-N 2.95Å; Y27-A30 VanDerWaalsContact O-N 3.09Å; Y27-T31 PolarHBondContact O-N 2.82Å; Y27-T31 PolarHBondContact O-OG1 3.01Å
28R43.3Very low46.3Very low148 Ų148115.1 Ų115.156%0.55854%0.535SS*.Hα-helixtrans-57.4-38.9177.8-164.4-178.6-174.8-161.93.7112.6F24 L32F24-R28 VanDerWaalsContact O-CB 3.23Å; F24-R28 WeakPolarHBondContact O-CB 3.39Å; F24-R28 PolarHBondContact O-N 3.04Å; R28-L32 HydrophobicContact CG-CD1 4.05Å; R28-L32 VanDerWaalsContact O-CB 3.32Å; R28-L32 WeakPolarHBondContact O-CB 3.2Å; R28-L32 WeakPolarHBondContact O-CD1 3.46Å; R28-L32 PolarHBondContact O-N 2.87Å
29R44.7Very low46.1Very low180 Ų180113 Ų11368%0.67953%0.53SS*.Hα-helixtrans-69-43.2176.1-169175.3179.7168.41.1111.9F25 R26 Y27 L32 E33F25-R29 VanDerWaalsContact O-CB 3.23Å; F25-R29 WeakPolarHBondContact O-CB 3.33Å; F25-R29 PolarHBondContact O-N 3.22Å; R26-R29 PolarHBondContact O-N 2.83Å; Y27-R29 VanDerWaalsContact C-N 3.28Å; Y27-R29 PolarHBondContact O-N 3.3Å; R29-L32 PolarHBondContact O-N 3.05Å; R29-E33 IonicContact NE-OE1 3.9Å; R29-E33 WeakPolarHBondContact O-CB 3.46Å; R29-E33 WeakPolarHBondContact O-CG 3.22Å; R29-E33 PolarHBondContact O-N 2.9Å
30A48.8Very low45.7Very low56 Ų56113.6 Ų113.646%0.46353%0.528SS..Hα-helixtrans-65.5-40.8175.600000112R26 Y27 E33 F34R26-A30 VanDerWaalsContact O-CB 3.3Å; R26-A30 WeakPolarHBondContact O-CB 3.21Å; R26-A30 PolarHBondContact O-N 2.96Å; Y27-A30 CarbonylContact O-C 3.59Å; Y27-A30 PolarHBondContact O-N 2.95Å; Y27-A30 VanDerWaalsContact O-N 3.09Å; A30-E33 PolarHBondContact O-N 2.78Å; A30-F34 WeakPolarHBondContact O-CB 3.24Å; A30-F34 PolarHBondContact O-N 3.42Å
31T44.3Very low45.9Very low53 Ų53116.1 Ų116.133%0.32553%0.533SS..Hα-helixtrans-68.6-38175-37.30000110.9Y27 C35Y27-T31 PolarHBondContact O-N 2.82Å; Y27-T31 PolarHBondContact O-OG1 3.01Å; T31-C35 WeakPolarHBondContact O-CB 3.39Å; T31-C35 PolarHBondContact O-N 3.3Å; T31-C35 PolarHBondContact O-SG 2.99Å
32L43.8Very low46.1Very low112 Ų112115.9 Ų115.959%0.58653%0.532SS*.Hα-helixtrans-66.1-40.9172-108.9106.9000112.2R28 R29 R36R28-L32 HydrophobicContact CG-CD1 4.05Å; R28-L32 VanDerWaalsContact O-CB 3.32Å; R28-L32 WeakPolarHBondContact O-CB 3.2Å; R28-L32 WeakPolarHBondContact O-CD1 3.46Å; R28-L32 PolarHBondContact O-N 2.87Å; R29-L32 PolarHBondContact O-N 3.05Å; L32-R36 WeakPolarHBondContact O-CA 3.34Å; L32-R36 WeakPolarHBondContact O-CB 3.27Å; L32-R36 PolarHBondContact O-N 3.19Å
33E41.4Very low46.1Very low92 Ų92116.5 Ų116.543%0.4353%0.528SS..Hα-helixtrans-68.3-39.5176.5-81.6-179-171.400111.7R29 A30 R36 K37R29-E33 IonicContact NE-OE1 3.9Å; R29-E33 WeakPolarHBondContact O-CB 3.46Å; R29-E33 WeakPolarHBondContact O-CG 3.22Å; R29-E33 PolarHBondContact O-N 2.9Å; A30-E33 PolarHBondContact O-N 2.78Å; E33-R36 PolarHBondContact O-N 3.07Å; E33-K37 WeakPolarHBondContact O-CB 3.38Å; E33-K37 VanDerWaalsContact O-CG 3.28Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 3.2Å
34F45.6Very low46.1Very low134 Ų134112.7 Ų112.759%0.58851%0.512SS*.Hα-helixtrans-65.1-49.8173.4179.5-97.6000111A30 R36 K37 L38A30-F34 WeakPolarHBondContact O-CB 3.24Å; A30-F34 PolarHBondContact O-N 3.42Å; F34-R36 VanDerWaalsContact C-N 3.27Å; F34-R36 PolarHBondContact O-N 2.91Å; F34-K37 PolarHBondContact O-N 2.76Å; F34-L38 HydrophobicContact CE1-CD2 4.28Å; F34-L38 VanDerWaalsContact O-CB 3.24Å; F34-L38 WeakPolarHBondContact O-CB 3.38Å; F34-L38 PolarHBondContact O-N 3.22Å
35C41.2Very low46.8Very low62 Ų62114.2 Ų114.242%0.41952%0.515SS..Hα-helixtrans-60.6-37.5174.8-73.60000111.3T31 L39T31-C35 WeakPolarHBondContact O-CB 3.39Å; T31-C35 PolarHBondContact O-N 3.3Å; T31-C35 PolarHBondContact O-SG 2.99Å; C35-L39 VanDerWaalsContact O-CB 3.27Å; C35-L39 WeakPolarHBondContact O-CB 3.35Å; C35-L39 PolarHBondContact O-N 2.93Å
36R45.7Very low47.8Very low174 Ų174110.4 Ų110.466%0.65750%0.501SS*.Hα-helixtrans-69-42.5175.3-177.6178.5172.4-170.3-4.5111.8L32 E33 F34 L38 L39 N40L32-R36 WeakPolarHBondContact O-CA 3.34Å; L32-R36 WeakPolarHBondContact O-CB 3.27Å; L32-R36 PolarHBondContact O-N 3.19Å; E33-R36 PolarHBondContact O-N 3.07Å; F34-R36 VanDerWaalsContact C-N 3.27Å; F34-R36 PolarHBondContact O-N 2.91Å; R36-L38 VanDerWaalsContact C-N 3.34Å; R36-L39 PolarHBondContact O-N 2.94Å; R36-N40 VanDerWaalsContact O-CB 3.22Å; R36-N40 WeakPolarHBondContact O-CB 3.04Å; R36-N40 PolarHBondContact O-N 2.68Å; R36-N40 PolarHBondContact O-OD1 2.8Å
37K48.4Very low48.4Very low133 Ų133107.6 Ų107.658%0.57850%0.496SS*.Hα-helixtrans-64.8-39.7174.2-77.1179.6-177.7-1790111.2E33 F34 N40 R41E33-K37 WeakPolarHBondContact O-CB 3.38Å; E33-K37 VanDerWaalsContact O-CG 3.28Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 3.2Å; F34-K37 PolarHBondContact O-N 2.76Å; K37-N40 PolarHBondContact O-N 3.38Å; K37-R41 WeakPolarHBondContact O-CB 3.26Å; K37-R41 WeakPolarHBondContact O-CG 3.42Å; K37-R41 PolarHBondContact O-N 2.85Å
38L46.4Very low49.8Very low81 Ų81103 Ų10342%0.42448%0.48SS..Hα-helixtrans-67.8-45.5175.5-172.566000110.9F34 R36 N40 R41 I42F34-L38 HydrophobicContact CE1-CD2 4.28Å; F34-L38 VanDerWaalsContact O-CB 3.24Å; F34-L38 WeakPolarHBondContact O-CB 3.38Å; F34-L38 PolarHBondContact O-N 3.22Å; R36-L38 VanDerWaalsContact C-N 3.34Å; L38-N40 VanDerWaalsContact C-N 3.33Å; L38-N40 PolarHBondContact O-N 2.95Å; L38-R41 CarbonylContact O-C 3.6Å; L38-R41 PolarHBondContact O-N 3.21Å; L38-I42 HydrophobicContact CD1-CD1 4.43Å; L38-I42 HydrophobicContact CG-CD1 3.94Å; L38-I42 WeakPolarHBondContact O-CB 3.39Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 3.21Å
39L48.8Very low51.5Low99 Ų99100.7 Ų100.752%0.51848%0.484SS..Hα-helixtrans-60.3-44.2173.3-125.499000110.8C35 R36 R41 I42 M43C35-L39 VanDerWaalsContact O-CB 3.27Å; C35-L39 WeakPolarHBondContact O-CB 3.35Å; C35-L39 PolarHBondContact O-N 2.93Å; R36-L39 PolarHBondContact O-N 2.94Å; L39-R41 VanDerWaalsContact C-N 3.33Å; L39-R41 PolarHBondContact O-N 3.4Å; L39-I42 CarbonylContact O-C 3.5Å; L39-I42 PolarHBondContact O-N 2.86Å; L39-I42 VanDerWaalsContact O-N 3.12Å; L39-M43 HydrophobicContact CD2-SD 4.02Å; L39-M43 VanDerWaalsContact O-CB 3.27Å; L39-M43 WeakPolarHBondContact O-CB 3.23Å; L39-M43 VanDerWaalsContact O-CG 3.3Å; L39-M43 WeakPolarHBondContact O-CG 3.31Å; L39-M43 PolarHBondContact O-N 3.37Å
40N48.9Very low53.3Low90 Ų9097.8 Ų97.848%0.48148%0.481SS..Hα-helixtrans-61.4-41.5177.5-74-3.8000110.9R36 K37 L38 M43 A44R36-N40 VanDerWaalsContact O-CB 3.22Å; R36-N40 WeakPolarHBondContact O-CB 3.04Å; R36-N40 PolarHBondContact O-N 2.68Å; R36-N40 PolarHBondContact O-OD1 2.8Å; K37-N40 PolarHBondContact O-N 3.38Å; L38-N40 VanDerWaalsContact C-N 3.33Å; L38-N40 PolarHBondContact O-N 2.95Å; N40-M43 CarbonylContact O-C 3.55Å; N40-M43 PolarHBondContact O-N 2.98Å; N40-A44 VanDerWaalsContact O-CB 3.25Å; N40-A44 WeakPolarHBondContact O-CB 3.49Å; N40-A44 PolarHBondContact O-N 2.98Å
41R53.2Low54.9Low197 Ų19795.7 Ų95.774%0.74346%0.462SS*.Hα-helixtrans-68.6-31.7173-75.8-178.5178.1-173.3-0.1113.4K37 L38 L39 K48K37-R41 WeakPolarHBondContact O-CB 3.26Å; K37-R41 WeakPolarHBondContact O-CG 3.42Å; K37-R41 PolarHBondContact O-N 2.85Å; L38-R41 CarbonylContact O-C 3.6Å; L38-R41 PolarHBondContact O-N 3.21Å; L39-R41 VanDerWaalsContact C-N 3.33Å; L39-R41 PolarHBondContact O-N 3.4Å; R41-K48 PolarHBondContact O-NZ 2.74Å
42I47.8Very low56.8Low59 Ų59100.5 Ų100.530%0.30347%0.474SS..Hα-helixtrans-73.1-35.2174-69.2166.4000110.4L38 L39 K48 L50L38-I42 HydrophobicContact CD1-CD1 4.43Å; L38-I42 HydrophobicContact CG-CD1 3.94Å; L38-I42 WeakPolarHBondContact O-CB 3.39Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 3.21Å; L39-I42 CarbonylContact O-C 3.5Å; L39-I42 PolarHBondContact O-N 2.86Å; L39-I42 VanDerWaalsContact O-N 3.12Å; I42-K48 WeakPolarHBondContact O-CD 3.41Å; I42-L50 HydrophobicContact CG2-CD1 4.49Å
43M48.9Very low58.8Low82 Ų82100 Ų10040%0.40447%0.471SS..Hα-helixtrans-85.8-13.6178.6-72.7-175.65200114L39 N40 R45 F51L39-M43 HydrophobicContact CD2-SD 4.02Å; L39-M43 VanDerWaalsContact O-CB 3.27Å; L39-M43 WeakPolarHBondContact O-CB 3.23Å; L39-M43 VanDerWaalsContact O-CG 3.3Å; L39-M43 WeakPolarHBondContact O-CG 3.31Å; L39-M43 PolarHBondContact O-N 3.37Å; N40-M43 CarbonylContact O-C 3.55Å; N40-M43 PolarHBondContact O-N 2.98Å; M43-R45 PolarHBondContact O-N 2.8Å; M43-F51 HydrophobicContact CB-CD2 4.27Å; M43-F51 HydrophobicContact CG-CD2 4.48Å; M43-F51 WeakPolarHBondContact O-CD2 3.22Å; M43-F51 WeakPolarHBondContact O-CE2 3.38Å
44A50.6Low61Low25 Ų2598.1 Ų98.121%0.20747%0.47CS..THydrogen-bonded Turntrans-67.8-11.7-179.900000113.7N40N40-A44 VanDerWaalsContact O-CB 3.25Å; N40-A44 WeakPolarHBondContact O-CB 3.49Å; N40-A44 PolarHBondContact O-N 2.98Å
45R58.1Low63Low143 Ų14393 Ų9354%0.5445%0.447SS..  trans-116.9115.1175.6-67.7-167.3-177.1178.1-0.6110.6M43 E47 K48M43-R45 PolarHBondContact O-N 2.8Å; R45-E47 PolarHBondContact O-N 3.38Å; R45-E47 VanDerWaalsContact O-N 3.15Å; R45-K48 HydrophobicContact CB-CD 4.11Å; R45-K48 HydrophobicContact CB-CG 4.14Å; R45-K48 PolarHBondContact O-N 2.91Å
46T60.6Low65.3Low40 Ų4093 Ų9325%0.24545%0.446CS..THydrogen-bonded Turntrans-61.6-19177.753.80000113.1F51T46-F51 VanDerWaalsContact CA-CE1 3.48Å; T46-F51 HydrophobicContact CG2-CE1 3.85Å; T46-F51 HydrophobicContact CG2-CZ 3.78Å; T46-F51 WeakPolarHBondContact O-CD1 3.49Å
47E60.6Low67.3Low134 Ų13488.2 Ų88.263%0.62643%0.433SS*.THydrogen-bonded Turntrans-80-16.8-179.5-61.8176.9171.800114.6R45R45-E47 PolarHBondContact O-N 3.38Å; R45-E47 VanDerWaalsContact O-N 3.15Å
48K75.2Confident69.3Low70 Ų7083.8 Ų83.830%0.30441%0.413SS..SBendtrans-72.3135.5-174.7-75.3173.8175.51780111.2R41 I42 R45 L50 F51 R52R41-K48 PolarHBondContact O-NZ 2.74Å; I42-K48 WeakPolarHBondContact O-CD 3.41Å; R45-K48 HydrophobicContact CB-CD 4.11Å; R45-K48 HydrophobicContact CB-CG 4.14Å; R45-K48 PolarHBondContact O-N 2.91Å; K48-L50 VanDerWaalsContact C-N 3.31Å; K48-L50 PolarHBondContact O-N 2.86Å; K48-F51 HydrophobicContact CB-CB 4.36Å; K48-F51 WeakPolarHBondContact O-CB 3.33Å; K48-F51 PolarHBondContact O-N 2.91Å; K48-R52 PolarHBondContact O-N 2.83Å; K48-R52 VanDerWaalsContact O-N 3.13Å
49P78.4Confident71.3Confident98 Ų9881 Ų8164%0.63640%0.399SS*.Hα-helixtrans-54.3-42.2-179-28.534.3000114.3F51 R52 I53P49-F51 VanDerWaalsContact C-N 3.31Å; P49-F51 PolarHBondContact O-N 2.85Å; P49-R52 PolarHBondContact O-N 3.09Å; P49-I53 WeakPolarHBondContact O-CG1 3.29Å; P49-I53 PolarHBondContact O-N 2.82Å
50L81.9Confident73Confident120 Ų12085.3 Ų85.363%0.62841%0.409SS*.Hα-helixtrans-62.5-37.9177.8-72.1173.3000112.7I42 K48 I53 A54I42-L50 HydrophobicContact CG2-CD1 4.49Å; K48-L50 VanDerWaalsContact C-N 3.31Å; K48-L50 PolarHBondContact O-N 2.86Å; L50-I53 PolarHBondContact O-N 3.19Å; L50-A54 WeakPolarHBondContact O-CB 3.12Å; L50-A54 PolarHBondContact O-N 3.22Å
51F83.3Confident74.9Confident12 Ų1283.2 Ų83.25%0.05340%0.399CS..Hα-helixtrans-64.3-46.9175.1174.1-88.7000110.5M43 T46 K48 P49 I53 A54 Y55 F239M43-F51 HydrophobicContact CB-CD2 4.27Å; M43-F51 HydrophobicContact CG-CD2 4.48Å; M43-F51 WeakPolarHBondContact O-CD2 3.22Å; M43-F51 WeakPolarHBondContact O-CE2 3.38Å; T46-F51 VanDerWaalsContact CA-CE1 3.48Å; T46-F51 HydrophobicContact CG2-CE1 3.85Å; T46-F51 HydrophobicContact CG2-CZ 3.78Å; T46-F51 WeakPolarHBondContact O-CD1 3.49Å; K48-F51 HydrophobicContact CB-CB 4.36Å; K48-F51 WeakPolarHBondContact O-CB 3.33Å; K48-F51 PolarHBondContact O-N 2.91Å; P49-F51 VanDerWaalsContact C-N 3.31Å; P49-F51 PolarHBondContact O-N 2.85Å; F51-I53 VanDerWaalsContact C-N 3.3Å; F51-I53 PolarHBondContact O-N 2.82Å; F51-A54 PolarHBondContact O-N 2.57Å; F51-Y55 HydrophobicContact CE1-CG 4.38Å; F51-Y55 WeakPolarHBondContact O-CB 3.38Å; F51-Y55 PolarHBondContact O-N 3.46Å; F51-F239 AromaticContact CE1-CD1 3.92Å; F51-F239 HydrophobicContact CE1-CD1 3.92Å; F51-F239 HydrophobicContact CE1-CE1 4.36Å; F51-F239 HydrophobicContact CE2-CD1 4.31Å; F51-F239 AromaticContact CE2-CE1 3.91Å; F51-F239 HydrophobicContact CE2-CE1 3.91Å; F51-F239 AromaticContact CZ-CD1 3.3Å; F51-F239 HydrophobicContact CZ-CD1 3.3Å; F51-F239 AromaticContact CZ-CE1 3.33Å; F51-F239 HydrophobicContact CZ-CE1 3.33Å
52R83.3Confident76.6Confident154 Ų15483.9 Ų83.958%0.58140%0.401SS*.Hα-helixtrans-59.4-40.7178.5-67.7-175.3176.3-176.2-0.8112.1K48 P49 T56K48-R52 PolarHBondContact O-N 2.83Å; K48-R52 VanDerWaalsContact O-N 3.13Å; P49-R52 PolarHBondContact O-N 3.09Å; R52-T56 VanDerWaalsContact O-CB 3.28Å; R52-T56 WeakPolarHBondContact O-CB 3.34Å; R52-T56 PolarHBondContact O-N 2.84Å; R52-T56 PolarHBondContact O-OG1 2.79Å
53I86.4Confident78.7Confident102 Ų10286.1 Ų86.152%0.52341%0.414SS..Hα-helixtrans-63.4-53.6174.8-65.7166.4000110.3P49 L50 F51 Y55 T56 L57P49-I53 WeakPolarHBondContact O-CG1 3.29Å; P49-I53 PolarHBondContact O-N 2.82Å; L50-I53 PolarHBondContact O-N 3.19Å; F51-I53 VanDerWaalsContact C-N 3.3Å; F51-I53 PolarHBondContact O-N 2.82Å; I53-Y55 VanDerWaalsContact C-N 3.32Å; I53-Y55 PolarHBondContact O-N 2.81Å; I53-T56 PolarHBondContact O-N 2.8Å; I53-L57 HydrophobicContact CG2-CD1 4.25Å; I53-L57 WeakPolarHBondContact O-CG 3.46Å; I53-L57 PolarHBondContact O-N 3.22Å
54A87Confident80.7Confident51 Ų5182.3 Ų82.342%0.42140%0.395SS..Hα-helixtrans-60.1-41.6-17900000112.5L50 F51 L57 Y58L50-A54 WeakPolarHBondContact O-CB 3.12Å; L50-A54 PolarHBondContact O-N 3.22Å; F51-A54 PolarHBondContact O-N 2.57Å; A54-L57 PolarHBondContact O-N 3.46Å; A54-Y58 WeakPolarHBondContact O-CB 3.47Å; A54-Y58 PolarHBondContact O-N 2.69Å
55Y88.8Confident82.6Confident26 Ų2685.2 Ų85.210%0.10240%0.401CS..Hα-helixtrans-67.6-38.1177.5-179.2-104.9000112.1F51 I53 Y58 T59 H149 F239 E240F51-Y55 HydrophobicContact CE1-CG 4.38Å; F51-Y55 WeakPolarHBondContact O-CB 3.38Å; F51-Y55 PolarHBondContact O-N 3.46Å; I53-Y55 VanDerWaalsContact C-N 3.32Å; I53-Y55 PolarHBondContact O-N 2.81Å; Y55-Y58 PolarHBondContact O-N 3.14Å; Y55-T59 HydrophobicContact CD2-CG2 4.22Å; Y55-T59 HydrophobicContact CE1-CG2 4.08Å; Y55-T59 HydrophobicContact CE2-CG2 3.75Å; Y55-T59 WeakPolarHBondContact O-CG2 3.45Å; Y55-T59 PolarHBondContact O-N 3.26Å; Y55-T59 PolarHBondContact O-OG1 3.14Å; Y55-H149 AromaticContact CE2-CE1 3.89Å; Y55-H149 AromaticContact CE2-NE2 3.42Å; Y55-H149 WeakPolarHBondContact CE2-NE2 3.36Å; Y55-H149 AromaticContact CZ-NE2 3.51Å; Y55-H149 PolarHBondContact OH-NE2 3.01Å; Y55-F239 AromaticContact CD2-CD1 3.72Å; Y55-F239 HydrophobicContact CD2-CD1 3.72Å; Y55-F239 HydrophobicContact CD2-CE1 4.11Å; Y55-F239 HydrophobicContact CE1-CB 4.39Å; Y55-F239 HydrophobicContact CE2-CB 4.13Å; Y55-F239 AromaticContact CE2-CD1 3.49Å; Y55-F239 HydrophobicContact CE2-CD1 3.49Å; Y55-F239 VanDerWaalsContact CE2-CD1 3.49Å; Y55-F239 HydrophobicContact CE2-CE1 4.08Å; Y55-F239 AromaticContact CE2-CG 3.95Å; Y55-F239 HydrophobicContact CE2-CG 3.95Å; Y55-F239 HydrophobicContact CG-CD1 4.46Å; Y55-E240 HydrophobicContact CE1-CG 3.93Å; Y55-E240 WeakPolarHBondContact CE1-OE1 3.46Å; Y55-E240 VanDerWaalsContact CZ-OE1 3.32Å; Y55-E240 PolarHBondContact OH-OE1 2.95Å
56T87.8Confident84.3Confident63 Ų6383.3 Ų83.339%0.38740%0.401SS..Hα-helixtrans-64-42.8172.1-590000110.9R52 I53 Y58 T59 R60R52-T56 VanDerWaalsContact O-CB 3.28Å; R52-T56 WeakPolarHBondContact O-CB 3.34Å; R52-T56 PolarHBondContact O-N 2.84Å; R52-T56 PolarHBondContact O-OG1 2.79Å; I53-T56 PolarHBondContact O-N 2.8Å; T56-Y58 VanDerWaalsContact C-N 3.34Å; T56-Y58 PolarHBondContact O-N 3.39Å; T56-T59 PolarHBondContact O-N 2.94Å; T56-R60 HydrophobicContact CG2-CB 4.49Å; T56-R60 HydrophobicContact CG2-CG 4.32Å; T56-R60 WeakPolarHBondContact O-CB 3.39Å; T56-R60 PolarHBondContact O-N 3.46Å
57L89.4Confident85.8Confident74 Ų7487.2 Ų87.239%0.38741%0.412SS..Hα-helixtrans-62.3-41.6175.2-67.6175.4000111.8I53 A54 T61 L63I53-L57 HydrophobicContact CG2-CD1 4.25Å; I53-L57 WeakPolarHBondContact O-CG 3.46Å; I53-L57 PolarHBondContact O-N 3.22Å; A54-L57 PolarHBondContact O-N 3.46Å; L57-T61 HydrophobicContact CD2-CG2 4.02Å; L57-T61 PolarHBondContact O-N 3.16Å; L57-T61 PolarHBondContact O-OG1 2.86Å; L57-L63 HydrophobicContact CD2-CD1 4.38Å
58Y89.5Confident87.4Confident40 Ų4081 Ų8116%0.15738%0.383CS..Hα-helixtrans-62.1-48.5175.5175.2-112.1000112A54 Y55 T56 G64 Y67 H149 W150 D151A54-Y58 WeakPolarHBondContact O-CB 3.47Å; A54-Y58 PolarHBondContact O-N 2.69Å; Y55-Y58 PolarHBondContact O-N 3.14Å; T56-Y58 VanDerWaalsContact C-N 3.34Å; T56-Y58 PolarHBondContact O-N 3.39Å; Y58-G64 VanDerWaalsContact O-CA 3.28Å; Y58-G64 WeakPolarHBondContact O-CA 3.46Å; Y58-Y67 HydrophobicContact CD2-CD1 4Å; Y58-Y67 AromaticContact CE2-CD1 3.85Å; Y58-Y67 HydrophobicContact CE2-CD1 3.85Å; Y58-Y67 HydrophobicContact CE2-CE1 4.32Å; Y58-H149 HydrophobicContact CE1-CB 4.21Å; Y58-W150 HydrophobicContact CE2-CB 4.33Å; Y58-W150 AromaticContact CE2-CD1 3.75Å; Y58-W150 HydrophobicContact CE2-CG 4.44Å; Y58-W150 AromaticContact CZ-CD1 3.97Å; Y58-W150 VanDerWaalsContact O-CD1 3.25Å; Y58-W150 PolarHBondContact O-NE1 3.35Å; Y58-W150 PolarHBondContact OH-N 3.34Å; Y58-D151 PolarHBondContact OH-OD1 3.26Å
59T88.6Confident88.3Confident21 Ų2185 Ų8513%0.12940%0.396CS..Hα-helixtrans-84.2-29.6-172.353.60000114.1Y55 T56 K148Y55-T59 HydrophobicContact CD2-CG2 4.22Å; Y55-T59 HydrophobicContact CE1-CG2 4.08Å; Y55-T59 HydrophobicContact CE2-CG2 3.75Å; Y55-T59 WeakPolarHBondContact O-CG2 3.45Å; Y55-T59 PolarHBondContact O-N 3.26Å; Y55-T59 PolarHBondContact O-OG1 3.14Å; T56-T59 PolarHBondContact O-N 2.94Å; T59-K148 HydrophobicContact CG2-CD 4.39Å
60R85.3Confident89.1Confident191 Ų19187 Ų8772%0.72139%0.39SS*.Hα-helixtrans-111.3-5.7-169.2-58.9-163.8177.2-172-3.7115.8T56T56-R60 HydrophobicContact CG2-CB 4.49Å; T56-R60 HydrophobicContact CG2-CG 4.32Å; T56-R60 WeakPolarHBondContact O-CB 3.39Å; T56-R60 PolarHBondContact O-N 3.46Å
61T88.6Confident89.6Confident46 Ų4684.1 Ų84.128%0.28237%0.374SS..SBendtrans-127.3165.3-17381.50000113.1L57 L63 G64L57-T61 HydrophobicContact CD2-CG2 4.02Å; L57-T61 PolarHBondContact O-N 3.16Å; L57-T61 PolarHBondContact O-OG1 2.86Å; T61-L63 PolarHBondContact O-N 3.33Å; T61-L63 WeakPolarHBondContact OG1-CB 3.33Å; T61-L63 PolarHBondContact OG1-N 3.48Å; T61-G64 PolarHBondContact O-N 3.41Å
62R89.4Confident90.1Very high210 Ų21084.3 Ų84.379%0.79238%0.375SS*.Hα-helixtrans-61.4-20.7172.8-66.3-177.374.4-178.62.9112.7G64 Y65 I66R62-G64 VanDerWaalsContact C-N 3.34Å; R62-Y65 PolarHBondContact O-N 2.83Å; R62-I66 VanDerWaalsContact O-CG1 3.26Å; R62-I66 WeakPolarHBondContact O-CG1 3.44Å; R62-I66 PolarHBondContact O-N 3.37Å
63L91.6Very high90.7Very high107 Ų10784 Ų8456%0.5637%0.374SS*.Hα-helixtrans-64.3-40.3177-64.5174.7000111.5L57 T61 I66 Y67L57-L63 HydrophobicContact CD2-CD1 4.38Å; T61-L63 PolarHBondContact O-N 3.33Å; T61-L63 WeakPolarHBondContact OG1-CB 3.33Å; T61-L63 PolarHBondContact OG1-N 3.48Å; L63-I66 PolarHBondContact O-N 3.46Å; L63-Y67 WeakPolarHBondContact O-CB 3.48Å; L63-Y67 PolarHBondContact O-N 3.43Å
64G90.2Very high91.1Very high1 Ų184.2 Ų84.21%0.0137%0.371CS..Hα-helixtrans-61.2-45.5173.800000112.6Y58 T61 R62 I66 Y67 Y68Y58-G64 VanDerWaalsContact O-CA 3.28Å; Y58-G64 WeakPolarHBondContact O-CA 3.46Å; T61-G64 PolarHBondContact O-N 3.41Å; R62-G64 VanDerWaalsContact C-N 3.34Å; G64-I66 VanDerWaalsContact C-N 3.33Å; G64-I66 PolarHBondContact O-N 3.15Å; G64-Y67 WeakPolarHBondContact O-CB 3.4Å; G64-Y67 PolarHBondContact O-N 3.28Å; G64-Y67 VanDerWaalsContact O-N 3.13Å; G64-Y68 PolarHBondContact O-N 2.97Å
65Y90.4Very high91.4Very high86 Ų8681.9 Ų81.934%0.33735%0.352SS..Hα-helixtrans-60.2-41.1174.3-178.2-109000112.5R62 Y67 Y68 R69 W150R62-Y65 PolarHBondContact O-N 2.83Å; Y65-Y67 VanDerWaalsContact C-N 3.35Å; Y65-Y68 AromaticContact CD2-CD1 3.75Å; Y65-Y68 HydrophobicContact CD2-CD1 3.75Å; Y65-Y68 AromaticContact CD2-CE1 3.98Å; Y65-Y68 HydrophobicContact CD2-CE1 3.98Å; Y65-Y68 AromaticContact CE2-CD1 3.96Å; Y65-Y68 HydrophobicContact CE2-CD1 3.96Å; Y65-Y68 AromaticContact CE2-CE1 3.71Å; Y65-Y68 HydrophobicContact CE2-CE1 3.71Å; Y65-Y68 WeakPolarHBondContact O-CD1 3.5Å; Y65-Y68 PolarHBondContact O-N 2.97Å; Y65-R69 HydrophobicContact CE1-CG 4.14Å; Y65-R69 HydrophobicContact CE2-CG 4.36Å; Y65-R69 WeakPolarHBondContact O-CG 3.47Å; Y65-R69 PolarHBondContact O-N 3.3Å; Y65-W150 HydrophobicContact CD2-CD2 4.34Å; Y65-W150 AromaticContact CD2-CE3 3.74Å; Y65-W150 HydrophobicContact CD2-CE3 3.74Å; Y65-W150 AromaticContact CD2-CH2 3.93Å; Y65-W150 HydrophobicContact CD2-CH2 3.93Å; Y65-W150 HydrophobicContact CD2-CZ2 4.5Å; Y65-W150 AromaticContact CD2-CZ3 3.51Å; Y65-W150 HydrophobicContact CD2-CZ3 3.51Å; Y65-W150 HydrophobicContact CE2-CZ3 4.24Å; Y65-W150 HydrophobicContact CG-CH2 4.34Å; Y65-W150 HydrophobicContact CG-CZ3 4.35Å
66I93.2Very high91.6Very high103 Ų10385.3 Ų85.353%0.52837%0.365SS..Hα-helixtrans-63.8-41.5175-68.9164000110.9R62 L63 G64 R69 R70R62-I66 VanDerWaalsContact O-CG1 3.26Å; R62-I66 WeakPolarHBondContact O-CG1 3.44Å; R62-I66 PolarHBondContact O-N 3.37Å; L63-I66 PolarHBondContact O-N 3.46Å; G64-I66 VanDerWaalsContact C-N 3.33Å; G64-I66 PolarHBondContact O-N 3.15Å; I66-R69 PolarHBondContact O-N 3.33Å; I66-R70 PolarHBondContact O-N 3.14Å
67Y92.6Very high91.9Very high122 Ų12288.9 Ų88.948%0.47838%0.377SS..Hα-helixtrans-62.1-48.8176.7175.9-98000111.6Y58 L63 G64 Y65 R69 R70 Q71Y58-Y67 HydrophobicContact CD2-CD1 4Å; Y58-Y67 AromaticContact CE2-CD1 3.85Å; Y58-Y67 HydrophobicContact CE2-CD1 3.85Å; Y58-Y67 HydrophobicContact CE2-CE1 4.32Å; L63-Y67 WeakPolarHBondContact O-CB 3.48Å; L63-Y67 PolarHBondContact O-N 3.43Å; G64-Y67 WeakPolarHBondContact O-CB 3.4Å; G64-Y67 PolarHBondContact O-N 3.28Å; G64-Y67 VanDerWaalsContact O-N 3.13Å; Y65-Y67 VanDerWaalsContact C-N 3.35Å; Y67-R69 PolarHBondContact O-N 3.22Å; Y67-R70 WeakPolarHBondContact O-CA 3.37Å; Y67-R70 WeakPolarHBondContact O-CB 3.42Å; Y67-R70 PolarHBondContact O-N 3.06Å; Y67-R70 VanDerWaalsContact O-N 3.1Å; Y67-Q71 HydrophobicContact CD1-CG 4.33Å; Y67-Q71 HydrophobicContact CE1-CG 3.91Å; Y67-Q71 VanDerWaalsContact CE1-NE2 3.29Å; Y67-Q71 PolarHBondContact O-N 3.35Å; Y67-Q71 PolarHBondContact OH-NE2 2.88Å
68Y93.9Very high92.2Very high4 Ų492 Ų922%0.01639%0.388CS..Hα-helixtrans-56.5-48.7174.3145.5-102000111.9G64 Y65 R70 Q71 M72 A124 W150 G154G64-Y68 PolarHBondContact O-N 2.97Å; Y65-Y68 AromaticContact CD2-CD1 3.75Å; Y65-Y68 HydrophobicContact CD2-CD1 3.75Å; Y65-Y68 AromaticContact CD2-CE1 3.98Å; Y65-Y68 HydrophobicContact CD2-CE1 3.98Å; Y65-Y68 AromaticContact CE2-CD1 3.96Å; Y65-Y68 HydrophobicContact CE2-CD1 3.96Å; Y65-Y68 AromaticContact CE2-CE1 3.71Å; Y65-Y68 HydrophobicContact CE2-CE1 3.71Å; Y65-Y68 WeakPolarHBondContact O-CD1 3.5Å; Y65-Y68 PolarHBondContact O-N 2.97Å; Y68-R70 PolarHBondContact O-N 3.28Å; Y68-Q71 CarbonylContact O-C 3.58Å; Y68-Q71 WeakPolarHBondContact O-CA 3.47Å; Y68-Q71 WeakPolarHBondContact O-CB 3.18Å; Y68-Q71 PolarHBondContact O-N 3.19Å; Y68-M72 HydrophobicContact CD2-CG 3.96Å; Y68-M72 HydrophobicContact CD2-SD 4.26Å; Y68-M72 HydrophobicContact CE1-SD 3.8Å; Y68-M72 HydrophobicContact CE2-CG 3.51Å; Y68-M72 HydrophobicContact CE2-SD 3.43Å; Y68-M72 WeakPolarHBondContact CE2-SD 3.5Å; Y68-M72 WeakPolarHBondContact O-CG 3.17Å; Y68-M72 PolarHBondContact O-N 3.26Å; Y68-M72 PolarHBondContact OH-SD 2.96Å; Y68-A124 PolarHBondContact OH-O 2.76Å; Y68-W150 VanDerWaalsContact CB-CB 3.48Å; Y68-W150 HydrophobicContact CD1-CB 4.31Å; Y68-W150 HydrophobicContact CD1-CE3 4.5Å; Y68-W150 HydrophobicContact CD2-CB 4.04Å; Y68-W150 WeakPolarHBondContact CD2-O 3.47Å; Y68-W150 WeakPolarHBondContact CE2-O 3.23Å; Y68-W150 HydrophobicContact CG-CB 3.69Å; Y68-W150 HydrophobicContact CG-CG 4.45Å; Y68-G154 VanDerWaalsContact OH-C 3.31Å; Y68-G154 PolarHBondContact OH-O 3.38Å
69R94.2Very high92.3Very high154 Ų15493.5 Ų93.558%0.58139%0.394SS*.Hα-helixtrans-58.4-35.6176.3-76.5-166.268.1-165.70.9112.7Y65 I66 Y67 R73Y65-R69 HydrophobicContact CE1-CG 4.14Å; Y65-R69 HydrophobicContact CE2-CG 4.36Å; Y65-R69 WeakPolarHBondContact O-CG 3.47Å; Y65-R69 PolarHBondContact O-N 3.3Å; I66-R69 PolarHBondContact O-N 3.33Å; Y67-R69 PolarHBondContact O-N 3.22Å; R69-R73 PolarHBondContact O-N 3.41Å; R69-R73 VanDerWaalsContact O-N 3.09Å
70R94.9Very high92.4Very high139 Ų13998.2 Ų98.253%0.52542%0.424SS..Hα-helixtrans-69.3-38.7174.6-174.6-178.7-179.1-1721111.6I66 Y67 Y68 R73 K74I66-R70 PolarHBondContact O-N 3.14Å; Y67-R70 WeakPolarHBondContact O-CA 3.37Å; Y67-R70 WeakPolarHBondContact O-CB 3.42Å; Y67-R70 PolarHBondContact O-N 3.06Å; Y67-R70 VanDerWaalsContact O-N 3.1Å; Y68-R70 PolarHBondContact O-N 3.28Å; R70-R73 PolarHBondContact O-N 3.19Å; R70-K74 WeakPolarHBondContact O-CG 3.35Å; R70-K74 PolarHBondContact O-N 2.73Å; R70-K74 VanDerWaalsContact O-N 3.08Å
71Q93.8Very high92.7Very high60 Ų6093.8 Ų93.828%0.2843%0.428SS..Hα-helixtrans-63.2-46.1174-72.8177.9-56.700111.2Y67 Y68 R73 K74 A75 L102Y67-Q71 HydrophobicContact CD1-CG 4.33Å; Y67-Q71 HydrophobicContact CE1-CG 3.91Å; Y67-Q71 VanDerWaalsContact CE1-NE2 3.29Å; Y67-Q71 PolarHBondContact O-N 3.35Å; Y67-Q71 PolarHBondContact OH-NE2 2.88Å; Y68-Q71 CarbonylContact O-C 3.58Å; Y68-Q71 WeakPolarHBondContact O-CA 3.47Å; Y68-Q71 WeakPolarHBondContact O-CB 3.18Å; Y68-Q71 PolarHBondContact O-N 3.19Å; Q71-R73 PolarHBondContact O-N 3.39Å; Q71-K74 PolarHBondContact O-N 3.12Å; Q71-A75 VanDerWaalsContact O-CB 3.28Å; Q71-A75 WeakPolarHBondContact O-CB 2.93Å; Q71-A75 PolarHBondContact O-N 3.05Å; Q71-L102 HydrophobicContact CB-CD2 4.14Å
72M93.8Very high93Very high16 Ų1692.7 Ų92.78%0.07943%0.427CS..Hα-helixtrans-54.7-49.6174-66.9-178.382.700112.1Y68 K74 A75 R76 L102 D125Y68-M72 HydrophobicContact CD2-CG 3.96Å; Y68-M72 HydrophobicContact CD2-SD 4.26Å; Y68-M72 HydrophobicContact CE1-SD 3.8Å; Y68-M72 HydrophobicContact CE2-CG 3.51Å; Y68-M72 HydrophobicContact CE2-SD 3.43Å; Y68-M72 WeakPolarHBondContact CE2-SD 3.5Å; Y68-M72 WeakPolarHBondContact O-CG 3.17Å; Y68-M72 PolarHBondContact O-N 3.26Å; Y68-M72 PolarHBondContact OH-SD 2.96Å; M72-K74 PolarHBondContact O-N 3.06Å; M72-A75 WeakPolarHBondContact O-CB 3.4Å; M72-A75 PolarHBondContact O-N 3.06Å; M72-R76 WeakPolarHBondContact O-CG 3.12Å; M72-R76 PolarHBondContact O-N 2.87Å; M72-L102 HydrophobicContact CB-CD2 4.26Å; M72-L102 HydrophobicContact CG-CD2 3.64Å; M72-D125 HydrophobicContact CE-CB 3.59Å; M72-D125 VanDerWaalsContact CE-OD1 3.31Å; M72-D125 WeakPolarHBondContact CE-OD1 3.24Å; M72-D125 WeakPolarHBondContact CE-OD2 3.47Å
73R94.6Very high93.3Very high147 Ų14783.2 Ų83.256%0.55539%0.392SS*.Hα-helixtrans-58.7-48.5-179.8-171.4-177.570.3-160.52.2111.4R69 R70 Q71 A75 R76 E77R69-R73 PolarHBondContact O-N 3.41Å; R69-R73 VanDerWaalsContact O-N 3.09Å; R70-R73 PolarHBondContact O-N 3.19Å; Q71-R73 PolarHBondContact O-N 3.39Å; R73-A75 VanDerWaalsContact C-N 3.3Å; R73-A75 PolarHBondContact O-N 2.8Å; R73-R76 PolarHBondContact O-N 3.01Å; R73-E77 WeakPolarHBondContact CG-OE1 3.33Å; R73-E77 IonicContact NE-OE1 3.52Å; R73-E77 WeakPolarHBondContact O-CG 3.48Å; R73-E77 PolarHBondContact O-N 3.08Å
74K94.8Very high93.5Very high107 Ų10778.4 Ų78.447%0.46537%0.366SS..Hα-helixtrans-61.9-39.1177-74.8179.8174-173.30112.5R70 Q71 M72 E77 K78R70-K74 WeakPolarHBondContact O-CG 3.35Å; R70-K74 PolarHBondContact O-N 2.73Å; R70-K74 VanDerWaalsContact O-N 3.08Å; Q71-K74 PolarHBondContact O-N 3.12Å; M72-K74 PolarHBondContact O-N 3.06Å; K74-E77 PolarHBondContact O-N 3.1Å; K74-K78 WeakPolarHBondContact O-CB 3.22Å; K74-K78 PolarHBondContact O-N 3.24Å
75A93.8Very high93.8Very high3 Ų382.2 Ų82.23%0.02539%0.39CS..Hα-helixtrans-63.9-47178.300000111Q71 M72 R73 E77 K78 Y79 L102Q71-A75 VanDerWaalsContact O-CB 3.28Å; Q71-A75 WeakPolarHBondContact O-CB 2.93Å; Q71-A75 PolarHBondContact O-N 3.05Å; M72-A75 WeakPolarHBondContact O-CB 3.4Å; M72-A75 PolarHBondContact O-N 3.06Å; R73-A75 VanDerWaalsContact C-N 3.3Å; R73-A75 PolarHBondContact O-N 2.8Å; A75-E77 VanDerWaalsContact C-N 3.34Å; A75-E77 PolarHBondContact O-N 3.06Å; A75-K78 CarbonylContact O-C 3.59Å; A75-K78 PolarHBondContact O-N 3.07Å; A75-K78 VanDerWaalsContact O-N 3.12Å; A75-Y79 WeakPolarHBondContact O-CA 3.31Å; A75-Y79 WeakPolarHBondContact O-CB 3.4Å; A75-Y79 PolarHBondContact O-N 2.71Å; A75-L102 VanDerWaalsContact CB-CA 3.5Å; A75-L102 WeakPolarHBondContact CB-O 3.49Å
76R93.1Very high94.1Very high98 Ų9880.1 Ų80.137%0.3739%0.386SS..Hα-helixtrans-63.3-37.4176.2-68.1179.9-174.3179.71113.2M72 R73 K78 P80 D125M72-R76 WeakPolarHBondContact O-CG 3.12Å; M72-R76 PolarHBondContact O-N 2.87Å; R73-R76 PolarHBondContact O-N 3.01Å; R76-K78 VanDerWaalsContact C-N 3.33Å; R76-P80 VanDerWaalsContact O-CA 3.3Å; R76-P80 WeakPolarHBondContact O-CA 3.45Å; R76-D125 IonicContact CZ-OD1 2.75Å; R76-D125 IonicContact CZ-OD2 3.69Å; R76-D125 VanDerWaalsContact CZ-OD2 3.27Å; R76-D125 IonicContact NE-OD2 2.77Å; R76-D125 PolarHBondContact NE-OD2 3.4Å; R76-D125 IonicContact NH2-OD1 3.48Å; R76-D125 PolarHBondContact NH2-OD1 3.16Å; R76-D125 IonicContact NH2-OD2 3.01Å; R76-D125 PolarHBondContact NH2-OD2 3.05Å
77E94.4Very high94.1Very high137 Ų13784.4 Ų84.464%0.6440%0.395SS*.Hα-helixtrans-62.8-39.8173-72.8165.7-167.500111.6R73 K74 A75R73-E77 WeakPolarHBondContact CG-OE1 3.33Å; R73-E77 IonicContact NE-OE1 3.52Å; R73-E77 WeakPolarHBondContact O-CG 3.48Å; R73-E77 PolarHBondContact O-N 3.08Å; K74-E77 PolarHBondContact O-N 3.1Å; A75-E77 VanDerWaalsContact C-N 3.34Å; A75-E77 PolarHBondContact O-N 3.06Å
78K94.8Very high94.3Very high140 Ų14081.5 Ų81.561%0.60939%0.392SS*.Hα-helixtrans-83-33.9-177.2-171178.2178.7-157.70113.4K74 A75 R76K74-K78 WeakPolarHBondContact O-CB 3.22Å; K74-K78 PolarHBondContact O-N 3.24Å; A75-K78 CarbonylContact O-C 3.59Å; A75-K78 PolarHBondContact O-N 3.07Å; A75-K78 VanDerWaalsContact O-N 3.12Å; R76-K78 VanDerWaalsContact C-N 3.33Å
79Y92.7Very high94.5Very high72 Ų7283.3 Ų83.328%0.28240%0.403SS..  trans-13668.8-170.5-55.9-63000109.6A75 A81 G82 H83A75-Y79 WeakPolarHBondContact O-CA 3.31Å; A75-Y79 WeakPolarHBondContact O-CB 3.4Å; A75-Y79 PolarHBondContact O-N 2.71Å; Y79-A81 PolarHBondContact O-N 2.76Å; Y79-G82 PolarHBondContact O-N 2.82Å; Y79-H83 HydrophobicContact CD1-CB 4.33Å; Y79-H83 HydrophobicContact CD2-CB 4.14Å; Y79-H83 HydrophobicContact CE2-CB 4.34Å; Y79-H83 HydrophobicContact CG-CB 4.13Å
80P91Very high94.6Very high119 Ų11982.5 Ų82.577%0.77341%0.406SS*.THydrogen-bonded Turntrans-62.6-26.9-174.423.6-34.1000113.6R76R76-P80 VanDerWaalsContact O-CA 3.3Å; R76-P80 WeakPolarHBondContact O-CA 3.45Å
81A90.6Very high94.6Very high98 Ų9877 Ų7781%0.8139%0.387SS*.THydrogen-bonded Turntrans-102.217.2175.600000113.2Y79Y79-A81 PolarHBondContact O-N 2.76Å
82G94.6Very high94.6Very high24 Ų2479.1 Ų79.125%0.24740%0.4CS..  trans87.9160.6-170.500000113.2Y79Y79-G82 PolarHBondContact O-N 2.82Å
83H96.1Very high94.7Very high11 Ų1179.5 Ų79.55%0.05141%0.408CS..SBendtrans-74.7-16.3177.865.474.9000112.9Y79 S100 V101 S103 D104 N105 Y106 R297Y79-H83 HydrophobicContact CD1-CB 4.33Å; Y79-H83 HydrophobicContact CD2-CB 4.14Å; Y79-H83 HydrophobicContact CE2-CB 4.34Å; Y79-H83 HydrophobicContact CG-CB 4.13Å; H83-S100 PolarHBondContact CD2-OG 2.94Å; H83-S100 PolarHBondContact CE1-OG 3Å; H83-S100 PolarHBondContact N-OG 3.21Å; H83-S100 PolarHBondContact ND1-OG 3.4Å; H83-S100 PolarHBondContact NE2-OG 3.48Å; H83-S100 VanDerWaalsContact NE2-OG 3.07Å; H83-V101 PolarHBondContact CD2-O 3.49Å; H83-V101 VanDerWaalsContact CD2-O 3.23Å; H83-V101 PolarHBondContact NE2-O 3.05Å; H83-S103 WeakPolarHBondContact CB-O 3.42Å; H83-S103 VanDerWaalsContact CD2-C 3.49Å; H83-D104 VanDerWaalsContact CD2-CA 3.47Å; H83-D104 WeakPolarHBondContact CD2-CA 3.34Å; H83-D104 PolarHBondContact CD2-N 3.32Å; H83-D104 WeakPolarHBondContact NE2-CA 3.18Å; H83-N105 PolarHBondContact NE2-N 2.68Å; H83-N105 PolarHBondContact NE2-O 2.75Å; H83-Y106 AromaticContact CE1-CE1 3.63Å; H83-Y106 AromaticContact CE1-CZ 3.61Å; H83-R297 PolarHBondContact O-NH2 3.23Å
84S96.9Very high94.9Very high5 Ų572.7 Ų72.74%0.03538%0.382CS..SBendtrans-144.7142.5179.3-56.80000111.7S100 Y106 R297 K300S84-S100 PolarHBondContact N-OG 2.84Å; S84-S100 VanDerWaalsContact N-OG 3.07Å; S84-S100 WeakPolarHBondContact O-CB 3.47Å; S84-Y106 WeakPolarHBondContact CB-OH 3.42Å; S84-Y106 PolarHBondContact OG-OH 3.25Å; S84-R297 PolarHBondContact OG-NH1 3.31Å; S84-R297 PolarHBondContact OG-NH2 3.49Å; S84-K300 CarbonylContact C-O 3.51Å; S84-K300 VanDerWaalsContact CA-O 3.24Å; S84-K300 WeakPolarHBondContact CA-O 3.41Å
85T96.7Very high95Very high82 Ų8269.4 Ų69.450%0.50337%0.368SS..BIsolated β-bridgetrans-77124.5163.8-59.50000108.7K300 L301 C302T85-K300 PolarHBondContact N-O 3.31Å; T85-L301 HydrophobicContact CG2-CD2 4.2Å; T85-C302 PolarHBondContact O-N 2.95Å
86T94.9Very high95.3Very high41 Ų4169.2 Ų69.225%0.25237%0.367SS..  trans-110158.9-178.261.70000110.1P98 Y106 C302T86-P98 WeakPolarHBondContact CB-O 3.19Å; T86-P98 HydrophobicContact CG2-CB 3.84Å; T86-P98 WeakPolarHBondContact CG2-O 3.28Å; T86-P98 PolarHBondContact OG1-O 2.87Å; T86-Y106 HydrophobicContact CG2-CD1 4.41Å; T86-Y106 HydrophobicContact CG2-CE1 3.84Å; T86-C302 HydrophobicContact CG2-CB 4.1Å
87R94.3Very high95.5Very high193 Ų19365 Ų6573%0.72835%0.352SS*.  trans-129.5135.2172.5-68.4-175178.8-176.10.1108.6
88P97.1Very high95.7Very high62 Ų6258.6 Ų58.640%0.40332%0.322SS..  trans-58.9146170.5-24.434.8000111.6K95 I96 I97P88-K95 HydrophobicContact CB-CD 4.09Å; P88-K95 HydrophobicContact CB-CG 3.93Å; P88-I96 CarbonylContact C-O 2.81Å; P88-I96 WeakPolarHBondContact CA-O 3.48Å; P88-I97 HydrophobicContact CB-CG1 4.09Å; P88-I97 HydrophobicContact CG-CG1 4.15Å; P88-I97 HydrophobicContact CG-CG2 4.46Å
89V97.6Very high95.9Very high41 Ų4152.3 Ų52.325%0.24830%0.295CS..EExtended strand (participates in β ladder)trans-111.5128.1168.2175.40000108.1L91 K95 I96 W263V89-L91 HydrophobicContact CG1-CD2 4.13Å; V89-L91 HydrophobicContact CG1-CG 4.09Å; V89-K95 CarbonylContact O-C 3.53Å; V89-K95 WeakPolarHBondContact O-CA 2.97Å; V89-I96 PolarHBondContact N-O 3.22Å; V89-I96 PolarHBondContact O-N 2.78Å; V89-W263 HydrophobicContact CB-CH2 4.04Å; V89-W263 HydrophobicContact CB-CZ2 4.29Å; V89-W263 HydrophobicContact CG2-CH2 3.69Å; V89-W263 HydrophobicContact CG2-CZ2 4.31Å
90E96.4Very high96.1Very high138 Ų13849.5 Ų49.565%0.64529%0.286SS*.EExtended strand (participates in β ladder)trans-106.8129179.1-64.6-172.7179.200110.7I94 K95E90-I94 CarbonylContact C-O 3.53Å; E90-I94 WeakPolarHBondContact CA-O 3.34Å; E90-K95 HydrophobicContact CG-CB 4.4Å; E90-K95 HydrophobicContact CG-CG 4.2Å; E90-K95 WeakPolarHBondContact OE1-CE 3.38Å
91L95Very high96.4Very high24 Ų2444 Ų4413%0.12625%0.25CC..EExtended strand (participates in β ladder)trans-133.789.7-174.6-62.4176.6000109.1V89 G93 I94 I96 L261V89-L91 HydrophobicContact CG1-CD2 4.13Å; V89-L91 HydrophobicContact CG1-CG 4.09Å; L91-G93 PolarHBondContact O-N 3.29Å; L91-I94 HydrophobicContact CB-CB 4.49Å; L91-I94 PolarHBondContact N-O 3.15Å; L91-I94 WeakPolarHBondContact O-CB 3.42Å; L91-I94 PolarHBondContact O-N 3.35Å; L91-I96 HydrophobicContact CD1-CD1 4Å; L91-L261 HydrophobicContact CD1-CD1 3.95Å
92N94.5Very high96.7Very high104 Ų10440 Ų4056%0.55622%0.215SC*.THydrogen-bonded Turntrans42.954176-163.418.3000115.8R193 V218N92-R193 PolarHBondContact O-NH1 3.33Å; N92-R193 PolarHBondContact O-NH2 2.82Å; N92-R193 VanDerWaalsContact O-NH2 3.17Å; N92-V218 VanDerWaalsContact CB-O 3.28Å; N92-V218 WeakPolarHBondContact CB-O 3.31Å; N92-V218 PolarHBondContact ND2-O 2.96Å
93G95.1Very high96.8Very high24 Ų2441.2 Ų41.225%0.24722%0.22CC..THydrogen-bonded Turntrans87.37.9-179.100000114.7L91 T113L91-G93 PolarHBondContact O-N 3.29Å; G93-T113 VanDerWaalsContact CA-OG1 3.31Å; G93-T113 WeakPolarHBondContact CA-OG1 3.33Å; G93-T113 PolarHBondContact O-N 2.99Å; G93-T113 PolarHBondContact O-OG1 3.49Å; G93-T113 VanDerWaalsContact O-OG1 3.05Å
94I98Very high96.8Very high3 Ų343 Ų432%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-109.2128.7165.6-58.1-178.9000108.4E90 L91 I96 I110 I111 L194 L213 V218E90-I94 CarbonylContact C-O 3.53Å; E90-I94 WeakPolarHBondContact CA-O 3.34Å; L91-I94 HydrophobicContact CB-CB 4.49Å; L91-I94 PolarHBondContact N-O 3.15Å; L91-I94 WeakPolarHBondContact O-CB 3.42Å; L91-I94 PolarHBondContact O-N 3.35Å; I94-I96 HydrophobicContact CG2-CG1 4.23Å; I94-I110 HydrophobicContact CG2-CG2 3.64Å; I94-I111 CarbonylContact C-O 3.52Å; I94-I111 WeakPolarHBondContact CA-O 3.31Å; I94-L194 HydrophobicContact CB-CD2 4.32Å; I94-L194 HydrophobicContact CD1-CD2 3.73Å; I94-L194 HydrophobicContact CG1-CD2 3.74Å; I94-L194 HydrophobicContact CG2-CD2 3.77Å; I94-L213 HydrophobicContact CD1-CD1 4.48Å; I94-L213 HydrophobicContact CD1-CD2 4.19Å; I94-L213 HydrophobicContact CG2-CD2 4.15Å; I94-V218 HydrophobicContact CD1-CG1 4.21Å; I94-V218 HydrophobicContact CD1-CG2 3.71Å; I94-V218 HydrophobicContact CG1-CG2 4.39Å
95K98.4Very high96.9Very high38 Ų3843 Ų4317%0.16523%0.229CC..EExtended strand (participates in β ladder)trans-109.2124.8172-176.8-172.7-78.8178.80109.5P88 V89 E90 I97 I110 I111 T113 E136P88-K95 HydrophobicContact CB-CD 4.09Å; P88-K95 HydrophobicContact CB-CG 3.93Å; V89-K95 CarbonylContact O-C 3.53Å; V89-K95 WeakPolarHBondContact O-CA 2.97Å; E90-K95 HydrophobicContact CG-CB 4.4Å; E90-K95 HydrophobicContact CG-CG 4.2Å; E90-K95 WeakPolarHBondContact OE1-CE 3.38Å; K95-I97 HydrophobicContact CD-CD1 3.81Å; K95-I97 HydrophobicContact CD-CG1 3.95Å; K95-I97 HydrophobicContact CG-CD1 4.32Å; K95-I97 HydrophobicContact CG-CG1 3.93Å; K95-I110 CarbonylContact O-C 3.59Å; K95-I110 WeakPolarHBondContact O-CA 3.35Å; K95-I111 HydrophobicContact CB-CB 4.39Å; K95-I111 PolarHBondContact N-O 3.17Å; K95-I111 PolarHBondContact O-N 3.49Å; K95-T113 HydrophobicContact CB-CG2 3.9Å; K95-E136 WeakPolarHBondContact CD-OE2 3.45Å; K95-E136 IonicContact NZ-OE1 3.67Å; K95-E136 IonicContact NZ-OE2 2.69Å; K95-E136 PolarHBondContact NZ-OE2 2.84Å
96I98.7Very high97Very high0 Ų039.3 Ų39.30%021%0.206CC..EExtended strand (participates in β ladder)trans-109.3120.3175.3-56.8174.8000108.6P88 V89 L91 I94 L109 I110 L213 S223 F225 W263P88-I96 CarbonylContact C-O 2.81Å; P88-I96 WeakPolarHBondContact CA-O 3.48Å; V89-I96 PolarHBondContact N-O 3.22Å; V89-I96 PolarHBondContact O-N 2.78Å; L91-I96 HydrophobicContact CD1-CD1 4Å; I94-I96 HydrophobicContact CG2-CG1 4.23Å; I96-L109 WeakPolarHBondContact CA-O 3.47Å; I96-I110 HydrophobicContact CG1-CG1 4.25Å; I96-I110 HydrophobicContact CG1-CG2 4.28Å; I96-I110 HydrophobicContact CG2-CG1 4.43Å; I96-L213 HydrophobicContact CD1-CD2 4.4Å; I96-S223 WeakPolarHBondContact CD1-OG 3.36Å; I96-F225 HydrophobicContact CD1-CZ 4.19Å; I96-F225 HydrophobicContact CG2-CE1 4.12Å; I96-F225 HydrophobicContact CG2-CZ 4.18Å; I96-W263 HydrophobicContact CB-CH2 4.48Å; I96-W263 HydrophobicContact CB-CZ2 4.19Å; I96-W263 HydrophobicContact CD1-CZ2 4.04Å; I96-W263 HydrophobicContact CG2-CD2 4.33Å; I96-W263 HydrophobicContact CG2-CH2 4.02Å; I96-W263 HydrophobicContact CG2-CZ2 3.83Å; I96-W263 HydrophobicContact CG2-CZ3 4.41Å
97I98.7Very high97.2Very high10 Ų1037.4 Ų37.45%0.05119%0.194CC..EExtended strand (participates in β ladder)trans-116.1109.5-177.6-49.6179.3000108.8P88 K95 I99 Y108 L109 I111 V132 E136P88-I97 HydrophobicContact CB-CG1 4.09Å; P88-I97 HydrophobicContact CG-CG1 4.15Å; P88-I97 HydrophobicContact CG-CG2 4.46Å; K95-I97 HydrophobicContact CD-CD1 3.81Å; K95-I97 HydrophobicContact CD-CG1 3.95Å; K95-I97 HydrophobicContact CG-CD1 4.32Å; K95-I97 HydrophobicContact CG-CG1 3.93Å; I97-I99 HydrophobicContact CG2-CG1 4.4Å; I97-I99 PolarHBondContact O-N 2.87Å; I97-Y108 WeakPolarHBondContact O-CA 3.32Å; I97-L109 HydrophobicContact CB-CB 4.37Å; I97-L109 PolarHBondContact N-O 3.15Å; I97-L109 PolarHBondContact O-N 3.36Å; I97-I111 HydrophobicContact CD1-CD1 3.92Å; I97-V132 HydrophobicContact CD1-CG1 4.24Å; I97-V132 HydrophobicContact CG2-CG1 4.25Å; I97-E136 VanDerWaalsContact CD1-CD 3.5Å; I97-E136 HydrophobicContact CD1-CG 3.52Å; I97-E136 WeakPolarHBondContact CD1-OE1 3.43Å
98P98.4Very high97.4Very high2 Ų228.5 Ų28.51%0.01316%0.161CC..EExtended strand (participates in β ladder)trans-68.2130.4166.5-17.832.6000109.7T86 Y106 Y108 W263T86-P98 WeakPolarHBondContact CB-O 3.19Å; T86-P98 HydrophobicContact CG2-CB 3.84Å; T86-P98 WeakPolarHBondContact CG2-O 3.28Å; T86-P98 PolarHBondContact OG1-O 2.87Å; P98-Y106 HydrophobicContact CB-CD1 4.26Å; P98-Y108 HydrophobicContact CB-CD1 4.08Å; P98-Y108 HydrophobicContact CB-CE1 3.85Å; P98-Y108 HydrophobicContact CG-CD1 4.26Å; P98-Y108 HydrophobicContact CG-CE1 4.09Å; P98-W263 HydrophobicContact CG-CE3 4.25Å; P98-W263 HydrophobicContact CG-CH2 4.38Å; P98-W263 HydrophobicContact CG-CZ3 3.58Å
99I98.4Very high97.5Very high7 Ų725.5 Ų25.54%0.03614%0.142CC..EExtended strand (participates in β ladder)trans-114.1111179-55.2177.9000107.3I97 V101 Y106 S107 L109 T128 V129 V132I97-I99 HydrophobicContact CG2-CG1 4.4Å; I97-I99 PolarHBondContact O-N 2.87Å; I99-V101 HydrophobicContact CG2-CG1 3.88Å; I99-V101 PolarHBondContact O-N 3.5Å; I99-Y106 WeakPolarHBondContact O-CA 3.44Å; I99-S107 PolarHBondContact N-O 3.36Å; I99-S107 PolarHBondContact O-N 3.24Å; I99-L109 HydrophobicContact CD1-CB 3.91Å; I99-T128 HydrophobicContact CG2-CG2 3.53Å; I99-V129 HydrophobicContact CD1-CB 4.49Å; I99-V129 HydrophobicContact CD1-CG1 4.5Å; I99-V129 HydrophobicContact CD1-CG2 4.07Å; I99-V132 HydrophobicContact CD1-CB 3.9Å; I99-V132 HydrophobicContact CD1-CG1 3.97Å; I99-V132 HydrophobicContact CD1-CG2 3.97Å; I99-V132 HydrophobicContact CG1-CG1 4.39Å; I99-V132 HydrophobicContact CG1-CG2 4.21Å; I99-V132 HydrophobicContact CG2-CG2 4.35Å
100S97.6Very high97.5Very high13 Ų1323.6 Ų23.69%0.09113%0.13CC..EExtended strand (participates in β ladder)trans-71.7114.7177.9179.80000110.1H83 S84H83-S100 PolarHBondContact CD2-OG 2.94Å; H83-S100 PolarHBondContact CE1-OG 3Å; H83-S100 PolarHBondContact N-OG 3.21Å; H83-S100 PolarHBondContact ND1-OG 3.4Å; H83-S100 PolarHBondContact NE2-OG 3.48Å; H83-S100 VanDerWaalsContact NE2-OG 3.07Å; S84-S100 PolarHBondContact N-OG 2.84Å; S84-S100 VanDerWaalsContact N-OG 3.07Å; S84-S100 WeakPolarHBondContact O-CB 3.47Å
101V96.8Very high97.6Very high4 Ų417.4 Ų17.42%0.02410%0.101CC..EExtended strand (participates in β ladder)trans-129158.9-179.2-61.80000110.5H83 I99 N105 A124 D125 T128H83-V101 PolarHBondContact CD2-O 3.49Å; H83-V101 VanDerWaalsContact CD2-O 3.23Å; H83-V101 PolarHBondContact NE2-O 3.05Å; I99-V101 HydrophobicContact CG2-CG1 3.88Å; I99-V101 PolarHBondContact O-N 3.5Å; V101-N105 HydrophobicContact CG2-CB 3.78Å; V101-N105 PolarHBondContact N-O 2.72Å; V101-N105 PolarHBondContact O-N 3.36Å; V101-A124 HydrophobicContact CG2-CB 3.83Å; V101-D125 HydrophobicContact CB-CB 4.05Å; V101-D125 HydrophobicContact CG1-CB 3.77Å; V101-T128 HydrophobicContact CG1-CG2 4.24Å
102L96.2Very high97.8Very high13 Ų1316.4 Ų16.47%0.06810%0.096CC..THydrogen-bonded Turntrans53.7-143.9-178.5-66.1154.5000111.3Q71 M72 A75 N105 A124 D151Q71-L102 HydrophobicContact CB-CD2 4.14Å; M72-L102 HydrophobicContact CB-CD2 4.26Å; M72-L102 HydrophobicContact CG-CD2 3.64Å; A75-L102 VanDerWaalsContact CB-CA 3.5Å; A75-L102 WeakPolarHBondContact CB-O 3.49Å; L102-N105 HydrophobicContact CB-CB 4.3Å; L102-N105 WeakPolarHBondContact CB-OD1 3.46Å; L102-N105 HydrophobicContact CD1-CB 4.17Å; L102-N105 WeakPolarHBondContact CD1-OD1 3.43Å; L102-A124 HydrophobicContact CD1-CB 3.88Å; L102-D151 HydrophobicContact CD1-CB 3.51Å
103S96.1Very high97.9Very high51 Ų5114.7 Ų14.736%0.3579%0.089SC..THydrogen-bonded Turntrans-91.5-27-176.2-620000113.6H83H83-S103 WeakPolarHBondContact CB-O 3.42Å; H83-S103 VanDerWaalsContact CD2-C 3.49Å
104D97.3Very high97.9Very high47 Ų4717.3 Ų17.325%0.25111%0.109SC..THydrogen-bonded Turntrans-156.71.9-175.448.744.3000113.5H83 H266 E267 Y268H83-D104 VanDerWaalsContact CD2-CA 3.47Å; H83-D104 WeakPolarHBondContact CD2-CA 3.34Å; H83-D104 PolarHBondContact CD2-N 3.32Å; H83-D104 WeakPolarHBondContact NE2-CA 3.18Å; D104-H266 CarbonylContact O-C 3.43Å; D104-H266 WeakPolarHBondContact O-CA 3.22Å; D104-H266 IonicContact OD1-CE1 3.7Å; D104-H266 IonicContact OD1-CG 3.9Å; D104-H266 IonicContact OD1-ND1 3.88Å; D104-H266 PolarHBondContact OD1-ND1 2.93Å; D104-E267 HydrophobicContact CB-CB 4.44Å; D104-E267 PolarHBondContact O-N 2.71Å; D104-Y268 HydrophobicContact CB-CE1 4.23Å
105N98.5Very high97.9Very high7 Ų719.9 Ų19.94%0.03713%0.127CC..EExtended strand (participates in β ladder)trans-79.6148.4-178.1-63.880.5000112H83 V101 L102 D151 G265 H266H83-N105 PolarHBondContact NE2-N 2.68Å; H83-N105 PolarHBondContact NE2-O 2.75Å; V101-N105 HydrophobicContact CG2-CB 3.78Å; V101-N105 PolarHBondContact N-O 2.72Å; V101-N105 PolarHBondContact O-N 3.36Å; L102-N105 HydrophobicContact CB-CB 4.3Å; L102-N105 WeakPolarHBondContact CB-OD1 3.46Å; L102-N105 HydrophobicContact CD1-CB 4.17Å; L102-N105 WeakPolarHBondContact CD1-OD1 3.43Å; N105-D151 PolarHBondContact ND2-O 3.35Å; N105-D151 PolarHBondContact ND2-OD2 2.72Å; N105-D151 VanDerWaalsContact ND2-OD2 3.15Å; N105-G265 CarbonylContact C-O 3.54Å; N105-G265 VanDerWaalsContact CA-O 3.28Å; N105-G265 WeakPolarHBondContact CA-O 3.44Å; N105-H266 VanDerWaalsContact CG-CE1 3.49Å; N105-H266 PolarHBondContact ND2-CE1 3.25Å; N105-H266 PolarHBondContact ND2-NE2 3.47Å
106Y98.6Very high97.9Very high3 Ų320.7 Ų20.71%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-112.9126.9164.4-69.1-63.2000110.3H83 S84 T86 P98 I99 G265 E267 C302H83-Y106 AromaticContact CE1-CE1 3.63Å; H83-Y106 AromaticContact CE1-CZ 3.61Å; S84-Y106 WeakPolarHBondContact CB-OH 3.42Å; S84-Y106 PolarHBondContact OG-OH 3.25Å; T86-Y106 HydrophobicContact CG2-CD1 4.41Å; T86-Y106 HydrophobicContact CG2-CE1 3.84Å; P98-Y106 HydrophobicContact CB-CD1 4.26Å; I99-Y106 WeakPolarHBondContact O-CA 3.44Å; Y106-G265 PolarHBondContact N-O 2.97Å; Y106-E267 HydrophobicContact CE2-CB 3.74Å; Y106-E267 HydrophobicContact CE2-CG 4.31Å; Y106-E267 WeakPolarHBondContact CE2-OE2 3.49Å; Y106-E267 PolarHBondContact OH-OE2 3.11Å; Y106-C302 HydrophobicContact CE1-CB 4.41Å; Y106-C302 WeakPolarHBondContact OH-CA 3.29Å; Y106-C302 WeakPolarHBondContact OH-CB 3.42Å; Y106-C302 PolarHBondContact OH-SG 3.42Å; Y106-C302 VanDerWaalsContact OH-SG 3.34Å
107S98.8Very high97.8Very high1 Ų121.2 Ų21.21%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-90.5158.5154.8-58.60000108.3I99 D122 P123 A124I99-S107 PolarHBondContact N-O 3.36Å; I99-S107 PolarHBondContact O-N 3.24Å; S107-D122 WeakPolarHBondContact CB-O 3.13Å; S107-D122 PolarHBondContact OG-O 3.27Å; S107-P123 WeakPolarHBondContact OG-CA 3.44Å; S107-A124 PolarHBondContact OG-N 3.24Å
108Y98.9Very high97.8Very high6 Ų620.8 Ų20.82%0.02414%0.138CC..EExtended strand (participates in β ladder)trans-126.3133.5176.6-59.4-79.3000110.7I97 P98 A120 V121 F225 W263 P264I97-Y108 WeakPolarHBondContact O-CA 3.32Å; P98-Y108 HydrophobicContact CB-CD1 4.08Å; P98-Y108 HydrophobicContact CB-CE1 3.85Å; P98-Y108 HydrophobicContact CG-CD1 4.26Å; P98-Y108 HydrophobicContact CG-CE1 4.09Å; Y108-A120 CarbonylContact O-C 3.17Å; Y108-A120 VanDerWaalsContact O-CA 3.29Å; Y108-A120 WeakPolarHBondContact O-CA 3.04Å; Y108-V121 HydrophobicContact CD2-CB 4.43Å; Y108-V121 PolarHBondContact N-O 3.4Å; Y108-V121 PolarHBondContact O-N 2.85Å; Y108-F225 HydrophobicContact CD1-CD1 4.45Å; Y108-F225 HydrophobicContact CD1-CE1 4.17Å; Y108-F225 AromaticContact CD2-CD1 3.63Å; Y108-F225 HydrophobicContact CD2-CD1 3.63Å; Y108-F225 HydrophobicContact CD2-CE1 4.12Å; Y108-F225 HydrophobicContact CE2-CD1 4.24Å; Y108-F225 AromaticContact CG-CD1 3.73Å; Y108-F225 HydrophobicContact CG-CD1 3.73Å; Y108-F225 AromaticContact CG-CE1 3.72Å; Y108-F225 HydrophobicContact CG-CE1 3.72Å; Y108-W263 HydrophobicContact CD1-CB 4.45Å; Y108-W263 HydrophobicContact CD1-CE3 4.09Å; Y108-W263 HydrophobicContact CD2-CB 4.47Å; Y108-W263 HydrophobicContact CE1-CB 3.97Å; Y108-W263 HydrophobicContact CE1-CD2 4.19Å; Y108-W263 AromaticContact CE1-CE3 3.52Å; Y108-W263 HydrophobicContact CE1-CE3 3.52Å; Y108-W263 HydrophobicContact CE1-CG 4.43Å; Y108-W263 HydrophobicContact CE1-CZ3 4.31Å; Y108-W263 HydrophobicContact CE2-CB 3.96Å; Y108-W263 VanDerWaalsContact OH-C 3.26Å; Y108-P264 WeakPolarHBondContact OH-CD 3.46Å; Y108-P264 PolarHBondContact OH-O 3.25Å
109L98.8Very high97.9Very high0 Ų020.7 Ų20.70%014%0.138CC..EExtended strand (participates in β ladder)trans-108.2121.4169-171.368.9000108.9I96 I97 I99 I111 A118 A120 V132 L133I96-L109 WeakPolarHBondContact CA-O 3.47Å; I97-L109 HydrophobicContact CB-CB 4.37Å; I97-L109 PolarHBondContact N-O 3.15Å; I97-L109 PolarHBondContact O-N 3.36Å; I99-L109 HydrophobicContact CD1-CB 3.91Å; L109-I111 HydrophobicContact CD2-CD1 3.91Å; L109-I111 HydrophobicContact CD2-CG1 4.19Å; L109-I111 HydrophobicContact CG-CD1 4.27Å; L109-I111 HydrophobicContact CG-CG1 4.01Å; L109-A118 HydrophobicContact CD1-CB 3.81Å; L109-A118 HydrophobicContact CG-CB 4.35Å; L109-A120 HydrophobicContact CD1-CB 4.28Å; L109-V132 HydrophobicContact CD2-CG1 3.84Å; L109-L133 HydrophobicContact CD1-CD2 3.7Å; L109-L133 HydrophobicContact CD1-CG 4.09Å; L109-L133 HydrophobicContact CD2-CD2 4Å; L109-L133 HydrophobicContact CD2-CG 4.09Å; L109-L133 HydrophobicContact CG-CD2 4.47Å
110I98.8Very high97.9Very high0 Ų020.4 Ų20.40%014%0.136CC..EExtended strand (participates in β ladder)trans-112.3121.5180-56.882.6000107I94 K95 I96 A118 V119 V121 L194 F196 L213 F225I94-I110 HydrophobicContact CG2-CG2 3.64Å; K95-I110 CarbonylContact O-C 3.59Å; K95-I110 WeakPolarHBondContact O-CA 3.35Å; I96-I110 HydrophobicContact CG1-CG1 4.25Å; I96-I110 HydrophobicContact CG1-CG2 4.28Å; I96-I110 HydrophobicContact CG2-CG1 4.43Å; I110-A118 CarbonylContact O-C 3.56Å; I110-A118 WeakPolarHBondContact O-CA 3.22Å; I110-V119 WeakPolarHBondContact CD1-O 3.5Å; I110-V119 PolarHBondContact N-O 3.04Å; I110-V119 PolarHBondContact O-N 3.44Å; I110-V121 HydrophobicContact CD1-CG2 3.67Å; I110-L194 HydrophobicContact CB-CD1 4.41Å; I110-L194 HydrophobicContact CG2-CD1 3.89Å; I110-L194 HydrophobicContact CG2-CD2 3.78Å; I110-L194 HydrophobicContact CG2-CG 4.4Å; I110-F196 HydrophobicContact CB-CZ 4.33Å; I110-F196 HydrophobicContact CG1-CZ 4.3Å; I110-F196 HydrophobicContact CG2-CZ 4.26Å; I110-L213 HydrophobicContact CG2-CD2 4.11Å; I110-F225 HydrophobicContact CD1-CE1 3.84Å; I110-F225 HydrophobicContact CD1-CE2 4.15Å; I110-F225 HydrophobicContact CD1-CZ 3.6Å; I110-F225 HydrophobicContact CG1-CE1 4.09Å; I110-F225 HydrophobicContact CG1-CE2 4.05Å; I110-F225 HydrophobicContact CG1-CZ 3.44Å; I110-F225 VanDerWaalsContact CG1-CZ 3.44Å
111I98.8Very high98Very high8 Ų819.9 Ų19.94%0.04113%0.133CC..EExtended strand (participates in β ladder)trans-119.4127.9-173-52.9175.4000108.8I94 K95 I97 L109 T113 V117 A118 E136 A138I94-I111 CarbonylContact C-O 3.52Å; I94-I111 WeakPolarHBondContact CA-O 3.31Å; K95-I111 HydrophobicContact CB-CB 4.39Å; K95-I111 PolarHBondContact N-O 3.17Å; K95-I111 PolarHBondContact O-N 3.49Å; I97-I111 HydrophobicContact CD1-CD1 3.92Å; L109-I111 HydrophobicContact CD2-CD1 3.91Å; L109-I111 HydrophobicContact CD2-CG1 4.19Å; L109-I111 HydrophobicContact CG-CD1 4.27Å; L109-I111 HydrophobicContact CG-CG1 4.01Å; I111-T113 PolarHBondContact O-N 3.4Å; I111-V117 WeakPolarHBondContact CA-O 3.46Å; I111-A118 HydrophobicContact CG1-CB 4.05Å; I111-E136 HydrophobicContact CD1-CB 3.65Å; I111-E136 HydrophobicContact CD1-CG 3.79Å; I111-A138 HydrophobicContact CD1-CB 3.99Å; I111-A138 HydrophobicContact CG1-CB 4.27Å; I111-A138 HydrophobicContact CG2-CB 4.15Å
112D98.1Very high98.1Very high4 Ų419.8 Ų19.82%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-78.7107.5160.9173.96.5000107.8A114 S115 S116 V117 R193 L194D112-A114 PolarHBondContact O-N 3.4Å; D112-A114 WeakPolarHBondContact OD1-CB 3.46Å; D112-A114 PolarHBondContact OD1-N 2.71Å; D112-A114 VanDerWaalsContact OD1-N 3.12Å; D112-S115 PolarHBondContact O-N 3.03Å; D112-S115 PolarHBondContact OD2-OG 3.16Å; D112-S116 WeakPolarHBondContact O-CA 3.39Å; D112-S116 PolarHBondContact O-N 3.46Å; D112-V117 HydrophobicContact CB-CG2 4.03Å; D112-V117 PolarHBondContact N-O 2.82Å; D112-R193 PolarHBondContact OD2-N 3.2Å; D112-L194 HydrophobicContact CB-CD1 4.43Å; D112-L194 HydrophobicContact CB-CD2 4.15Å; D112-L194 HydrophobicContact CB-CG 4.06Å
113T97.2Very high98.2Very high68 Ų6819.2 Ų19.242%0.41713%0.129SC..THydrogen-bonded Turntrans-71.2-15-171.867.10000112.9G93 K95 I111G93-T113 VanDerWaalsContact CA-OG1 3.31Å; G93-T113 WeakPolarHBondContact CA-OG1 3.33Å; G93-T113 PolarHBondContact O-N 2.99Å; G93-T113 PolarHBondContact O-OG1 3.49Å; G93-T113 VanDerWaalsContact O-OG1 3.05Å; K95-T113 HydrophobicContact CB-CG2 3.9Å; I111-T113 PolarHBondContact O-N 3.4Å
114A95.8Very high98.2Very high79 Ų7916.8 Ų16.865%0.65311%0.112SC*.THydrogen-bonded Turntrans-79.9-36178.700000112.2D112D112-A114 PolarHBondContact O-N 3.4Å; D112-A114 WeakPolarHBondContact OD1-CB 3.46Å; D112-A114 PolarHBondContact OD1-N 2.71Å; D112-A114 VanDerWaalsContact OD1-N 3.12Å
115S97.1Very high98.2Very high57 Ų5714.7 Ų14.740%0.39910%0.101SC..THydrogen-bonded Turntrans-108.7-8-176.958.50000113.3D112 V117D112-S115 PolarHBondContact O-N 3.03Å; D112-S115 PolarHBondContact OD2-OG 3.16Å; S115-V117 PolarHBondContact O-N 2.69Å; S115-V117 WeakPolarHBondContact OG-CG2 3.38Å
116S97.6Very high98.1Very high55 Ų5515.5 Ų15.539%0.38511%0.107SC..THydrogen-bonded Turntrans56.723-174.6-58.60000114D112 A138 M139D112-S116 WeakPolarHBondContact O-CA 3.39Å; D112-S116 PolarHBondContact O-N 3.46Å; S116-A138 CarbonylContact O-C 3.55Å; S116-A138 VanDerWaalsContact O-CA 3.27Å; S116-A138 WeakPolarHBondContact O-CA 3.38Å; S116-M139 PolarHBondContact O-N 3.29Å
117V98.4Very high98Very high11 Ų1121 Ų217%0.06713%0.133CC..EExtended strand (participates in β ladder)trans-86.4148.6171.2-53.70000110.1I111 D112 S115 M139 E141 V191I111-V117 WeakPolarHBondContact CA-O 3.46Å; D112-V117 HydrophobicContact CB-CG2 4.03Å; D112-V117 PolarHBondContact N-O 2.82Å; S115-V117 PolarHBondContact O-N 2.69Å; S115-V117 WeakPolarHBondContact OG-CG2 3.38Å; V117-M139 CarbonylContact C-O 3.59Å; V117-M139 WeakPolarHBondContact CA-O 3.39Å; V117-M139 HydrophobicContact CG1-CE 4.04Å; V117-E141 HydrophobicContact CB-CG 4.14Å; V117-E141 HydrophobicContact CG1-CG 4.29Å; V117-E141 VanDerWaalsContact CG1-OE1 3.29Å; V117-E141 WeakPolarHBondContact CG1-OE1 3.46Å; V117-V191 HydrophobicContact CB-CG1 4.12Å; V117-V191 HydrophobicContact CG2-CG1 3.62Å
118A98.7Very high97.9Very high0 Ų023.2 Ų23.20%015%0.146CC..EExtended strand (participates in β ladder)trans-134149.8-175.600000113.8L109 I110 I111 L133 A138 M139 E141L109-A118 HydrophobicContact CD1-CB 3.81Å; L109-A118 HydrophobicContact CG-CB 4.35Å; I110-A118 CarbonylContact O-C 3.56Å; I110-A118 WeakPolarHBondContact O-CA 3.22Å; I111-A118 HydrophobicContact CG1-CB 4.05Å; A118-L133 HydrophobicContact CB-CD2 3.97Å; A118-A138 HydrophobicContact CB-CB 4.06Å; A118-M139 PolarHBondContact N-O 3.4Å; A118-E141 PolarHBondContact O-N 3.09Å
119V98.9Very high97.9Very high0 Ų023 Ų230%015%0.145CC..EExtended strand (participates in β ladder)trans-117.4129.3169.7179.40000108.9I110 A142 L144 V191 L194 F196I110-V119 WeakPolarHBondContact CD1-O 3.5Å; I110-V119 PolarHBondContact N-O 3.04Å; I110-V119 PolarHBondContact O-N 3.44Å; V119-A142 CarbonylContact C-O 3.54Å; V119-A142 WeakPolarHBondContact CA-O 3.43Å; V119-A142 HydrophobicContact CG1-CB 4.23Å; V119-A142 HydrophobicContact CG2-CB 4.05Å; V119-L144 HydrophobicContact CG1-CD1 3.71Å; V119-L144 HydrophobicContact CG1-CG 3.58Å; V119-V191 HydrophobicContact CG2-CB 3.73Å; V119-V191 HydrophobicContact CG2-CG1 3.83Å; V119-V191 HydrophobicContact CG2-CG2 3.83Å; V119-L194 HydrophobicContact CB-CD1 4.38Å; V119-L194 HydrophobicContact CG2-CD1 3.86Å; V119-F196 HydrophobicContact CB-CE2 4.09Å; V119-F196 HydrophobicContact CB-CZ 4.26Å; V119-F196 HydrophobicContact CG1-CE2 4.08Å; V119-F196 HydrophobicContact CG1-CZ 4.17Å; V119-F196 HydrophobicContact CG2-CE2 3.9Å
120A98.9Very high97.8Very high1 Ų124.5 Ų24.51%0.00815%0.152CC..EExtended strand (participates in β ladder)trans-101.8127.3172.700000110.8Y108 L109 P123 V129 L140 A142 I143 L144Y108-A120 CarbonylContact O-C 3.17Å; Y108-A120 VanDerWaalsContact O-CA 3.29Å; Y108-A120 WeakPolarHBondContact O-CA 3.04Å; L109-A120 HydrophobicContact CD1-CB 4.28Å; A120-P123 HydrophobicContact CB-CB 4.21Å; A120-P123 HydrophobicContact CB-CG 4.38Å; A120-V129 HydrophobicContact CB-CG1 4.36Å; A120-L140 HydrophobicContact CB-CD1 3.7Å; A120-A142 PolarHBondContact N-O 3.29Å; A120-I143 HydrophobicContact CB-CG1 4.37Å; A120-I143 CarbonylContact O-C 3.57Å; A120-I143 VanDerWaalsContact O-CA 3.23Å; A120-I143 WeakPolarHBondContact O-CA 3.31Å; A120-L144 PolarHBondContact O-N 3.44Å
121V98.9Very high97.8Very high2 Ų227.6 Ų27.61%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-97.9128.8170.3-175.50000109.2Y108 I110 L144 T146 F225Y108-V121 HydrophobicContact CD2-CB 4.43Å; Y108-V121 PolarHBondContact N-O 3.4Å; Y108-V121 PolarHBondContact O-N 2.85Å; I110-V121 HydrophobicContact CD1-CG2 3.67Å; V121-L144 VanDerWaalsContact CA-O 3.31Å; V121-L144 WeakPolarHBondContact CA-O 3.35Å; V121-L144 HydrophobicContact CG2-CB 4.18Å; V121-L144 HydrophobicContact CG2-CD1 4.37Å; V121-T146 HydrophobicContact CG1-CG2 4.18Å; V121-F225 HydrophobicContact CB-CD1 4.41Å; V121-F225 HydrophobicContact CB-CG 4.49Å; V121-F225 HydrophobicContact CG1-CB 3.96Å; V121-F225 HydrophobicContact CG1-CG 4.42Å; V121-F225 HydrophobicContact CG2-CB 4.21Å; V121-F225 HydrophobicContact CG2-CD1 4.04Å; V121-F225 HydrophobicContact CG2-CD2 4.21Å; V121-F225 HydrophobicContact CG2-CG 3.87Å
122D98.8Very high97.8Very high3 Ų328.1 Ų28.12%0.01618%0.175CC..SBendtrans44.259.3178.1-68-19.9000114.2S107 A124 L144 C145 T146 H152S107-D122 WeakPolarHBondContact CB-O 3.13Å; S107-D122 PolarHBondContact OG-O 3.27Å; D122-A124 PolarHBondContact O-N 2.85Å; D122-L144 PolarHBondContact N-O 3.34Å; D122-C145 WeakPolarHBondContact OD1-CA 3.45Å; D122-T146 VanDerWaalsContact CG-OG1 3.27Å; D122-T146 PolarHBondContact OD1-N 2.69Å; D122-T146 PolarHBondContact OD1-OG1 3.16Å; D122-T146 WeakPolarHBondContact OD2-CB 3.35Å; D122-T146 WeakPolarHBondContact OD2-CG2 3.25Å; D122-T146 PolarHBondContact OD2-OG1 2.77Å; D122-H152 CarbonylContact C-O 3.56Å; D122-H152 WeakPolarHBondContact CA-O 3.4Å; D122-H152 HydrophobicContact CB-CB 3.87Å; D122-H152 IonicContact OD2-CE1 3.36Å; D122-H152 IonicContact OD2-CG 3.8Å; D122-H152 IonicContact OD2-ND1 3.16Å; D122-H152 PolarHBondContact OD2-ND1 2.95Å
123P98.3Very high97.8Very high0 Ų028.1 Ų28.10%017%0.174CC..  trans-72.777.7-177.532.6-36000110.8S107 A120 D125 V129 I143 G155 L159S107-P123 WeakPolarHBondContact OG-CA 3.44Å; A120-P123 HydrophobicContact CB-CB 4.21Å; A120-P123 HydrophobicContact CB-CG 4.38Å; P123-D125 PolarHBondContact O-N 2.68Å; P123-V129 HydrophobicContact CB-CB 4.45Å; P123-V129 HydrophobicContact CB-CG1 4.32Å; P123-V129 HydrophobicContact CB-CG2 3.9Å; P123-I143 HydrophobicContact CG-CD1 4.1Å; P123-I143 HydrophobicContact CG-CG1 4.13Å; P123-I143 HydrophobicContact CG-CG2 3.68Å; P123-G155 WeakPolarHBondContact O-CA 3.25Å; P123-G155 PolarHBondContact O-N 2.84Å; P123-L159 HydrophobicContact CB-CD1 3.38Å; P123-L159 HydrophobicContact CG-CD1 3.77Å
124A96.8Very high97.8Very high0 Ų030.9 Ų30.90%018%0.183CC..  trans-63.2-45.9-174.800000111.5Y68 V101 L102 S107 D122 P126 D151 G154 G155Y68-A124 PolarHBondContact OH-O 2.76Å; V101-A124 HydrophobicContact CG2-CB 3.83Å; L102-A124 HydrophobicContact CD1-CB 3.88Å; S107-A124 PolarHBondContact OG-N 3.24Å; D122-A124 PolarHBondContact O-N 2.85Å; A124-P126 WeakPolarHBondContact O-CD 3.39Å; A124-D151 WeakPolarHBondContact CB-O 3.45Å; A124-G154 CarbonylContact O-C 3.59Å; A124-G155 PolarHBondContact O-N 2.92Å
125D96.9Very high98Very high4 Ų433.9 Ų33.92%0.02118%0.183CC..  trans-102.2102176.1-168.6-28.3000110.6M72 R76 V101 P123 Q127 T128 V129M72-D125 HydrophobicContact CE-CB 3.59Å; M72-D125 VanDerWaalsContact CE-OD1 3.31Å; M72-D125 WeakPolarHBondContact CE-OD1 3.24Å; M72-D125 WeakPolarHBondContact CE-OD2 3.47Å; R76-D125 IonicContact CZ-OD1 2.75Å; R76-D125 IonicContact CZ-OD2 3.69Å; R76-D125 VanDerWaalsContact CZ-OD2 3.27Å; R76-D125 IonicContact NE-OD2 2.77Å; R76-D125 PolarHBondContact NE-OD2 3.4Å; R76-D125 IonicContact NH2-OD1 3.48Å; R76-D125 PolarHBondContact NH2-OD1 3.16Å; R76-D125 IonicContact NH2-OD2 3.01Å; R76-D125 PolarHBondContact NH2-OD2 3.05Å; V101-D125 HydrophobicContact CB-CB 4.05Å; V101-D125 HydrophobicContact CG1-CB 3.77Å; P123-D125 PolarHBondContact O-N 2.68Å; D125-Q127 PolarHBondContact O-N 3.23Å; D125-Q127 PolarHBondContact OD1-N 2.84Å; D125-T128 VanDerWaalsContact CG-OG1 3.27Å; D125-T128 PolarHBondContact O-N 3.46Å; D125-T128 PolarHBondContact OD1-N 2.89Å; D125-T128 PolarHBondContact OD2-OG1 3.04Å; D125-V129 WeakPolarHBondContact O-CG2 3.23Å; D125-V129 PolarHBondContact O-N 2.81Å; D125-V129 VanDerWaalsContact O-N 3.09Å
126P96.8Very high98Very high24 Ų2434.4 Ų34.416%0.15618%0.179CC..Hα-helixtrans-66.3-24.1-176.127.7-33.9000112.9A124 Q130 L159A124-P126 WeakPolarHBondContact O-CD 3.39Å; P126-Q130 WeakPolarHBondContact O-CB 3.34Å; P126-Q130 PolarHBondContact O-N 3.15Å; P126-Q130 VanDerWaalsContact O-N 3.07Å; P126-L159 HydrophobicContact CB-CD2 4.3Å; P126-L159 HydrophobicContact CB-CG 3.9Å; P126-L159 WeakPolarHBondContact O-CD2 3.37Å
127Q96.4Very high98Very high119 Ų11934.5 Ų34.556%0.55619%0.189SC*.Hα-helixtrans-78.1-45.1-179.4-68172.8-22.400110.4D125 V129 Q130 T131D125-Q127 PolarHBondContact O-N 3.23Å; D125-Q127 PolarHBondContact OD1-N 2.84Å; Q127-V129 PolarHBondContact O-N 2.58Å; Q127-Q130 PolarHBondContact O-N 3.28Å; Q127-T131 PolarHBondContact O-N 2.91Å; Q127-T131 PolarHBondContact O-OG1 3.4Å
128T96.8Very high98Very high46 Ų4634.5 Ų34.528%0.28219%0.191SC..Hα-helixtrans-62.7-43.4176.3-53.50000111.3I99 V101 D125 Q130 T131 V132I99-T128 HydrophobicContact CG2-CG2 3.53Å; V101-T128 HydrophobicContact CG1-CG2 4.24Å; D125-T128 VanDerWaalsContact CG-OG1 3.27Å; D125-T128 PolarHBondContact O-N 3.46Å; D125-T128 PolarHBondContact OD1-N 2.89Å; D125-T128 PolarHBondContact OD2-OG1 3.04Å; T128-Q130 VanDerWaalsContact C-N 3.35Å; T128-Q130 PolarHBondContact O-N 3.34Å; T128-T131 PolarHBondContact O-N 3.35Å; T128-V132 WeakPolarHBondContact O-CG2 3.44Å; T128-V132 PolarHBondContact O-N 3.2Å; T128-V132 VanDerWaalsContact O-N 3.15Å
129V98.1Very high98Very high1 Ų139.4 Ų39.41%0.00622%0.215CC..Hα-helixtrans-64.4-40.1176.8176.40000111.6I99 A120 P123 D125 Q127 T131 V132 L133 L159I99-V129 HydrophobicContact CD1-CB 4.49Å; I99-V129 HydrophobicContact CD1-CG1 4.5Å; I99-V129 HydrophobicContact CD1-CG2 4.07Å; A120-V129 HydrophobicContact CB-CG1 4.36Å; P123-V129 HydrophobicContact CB-CB 4.45Å; P123-V129 HydrophobicContact CB-CG1 4.32Å; P123-V129 HydrophobicContact CB-CG2 3.9Å; D125-V129 WeakPolarHBondContact O-CG2 3.23Å; D125-V129 PolarHBondContact O-N 2.81Å; D125-V129 VanDerWaalsContact O-N 3.09Å; Q127-V129 PolarHBondContact O-N 2.58Å; V129-T131 PolarHBondContact O-N 3.08Å; V129-V132 PolarHBondContact O-N 2.88Å; V129-L133 HydrophobicContact CG1-CD1 4.08Å; V129-L133 WeakPolarHBondContact O-CG 3.1Å; V129-L133 PolarHBondContact O-N 3.11Å; V129-L159 HydrophobicContact CB-CD1 4.09Å; V129-L159 HydrophobicContact CB-CD2 4.5Å; V129-L159 HydrophobicContact CG1-CD1 3.71Å; V129-L159 HydrophobicContact CG1-CD2 4.36Å
130Q98.4Very high98Very high32 Ų3239.6 Ų39.615%0.1522%0.216CC..Hα-helixtrans-60.5-43.7175.4-179.661.237.700112.1P126 Q127 T128 V132 L133 E134 L159 L162 H163P126-Q130 WeakPolarHBondContact O-CB 3.34Å; P126-Q130 PolarHBondContact O-N 3.15Å; P126-Q130 VanDerWaalsContact O-N 3.07Å; Q127-Q130 PolarHBondContact O-N 3.28Å; T128-Q130 VanDerWaalsContact C-N 3.35Å; T128-Q130 PolarHBondContact O-N 3.34Å; Q130-V132 PolarHBondContact O-N 3.23Å; Q130-L133 WeakPolarHBondContact O-CB 3.01Å; Q130-L133 PolarHBondContact O-N 3.2Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.41Å; Q130-E134 PolarHBondContact NE2-OE1 2.9Å; Q130-E134 WeakPolarHBondContact O-CG 3.45Å; Q130-E134 PolarHBondContact O-N 3.03Å; Q130-L159 HydrophobicContact CB-CD2 4.27Å; Q130-L162 HydrophobicContact CB-CD1 4.43Å; Q130-L162 HydrophobicContact CG-CD1 4.15Å; Q130-H163 PolarHBondContact OE1-NE2 3.24Å
131T97.9Very high98Very high65 Ų6542.9 Ų42.940%0.39923%0.231SC..Hα-helixtrans-60.1-45.5177-61.80000111.6Q127 T128 V129 L133 E134 E135Q127-T131 PolarHBondContact O-N 2.91Å; Q127-T131 PolarHBondContact O-OG1 3.4Å; T128-T131 PolarHBondContact O-N 3.35Å; V129-T131 PolarHBondContact O-N 3.08Å; T131-L133 PolarHBondContact O-N 2.67Å; T131-E134 PolarHBondContact O-N 2.84Å; T131-E135 HydrophobicContact CG2-CG 4.43Å; T131-E135 WeakPolarHBondContact O-CG 3.39Å; T131-E135 PolarHBondContact O-N 3.13Å
132V98.3Very high98Very high20 Ų2042.8 Ų42.812%0.12123%0.23CC..Hα-helixtrans-66-37.6178.8179.20000111.7I97 I99 L109 T128 V129 Q130 E134 E135 E136I97-V132 HydrophobicContact CD1-CG1 4.24Å; I97-V132 HydrophobicContact CG2-CG1 4.25Å; I99-V132 HydrophobicContact CD1-CB 3.9Å; I99-V132 HydrophobicContact CD1-CG1 3.97Å; I99-V132 HydrophobicContact CD1-CG2 3.97Å; I99-V132 HydrophobicContact CG1-CG1 4.39Å; I99-V132 HydrophobicContact CG1-CG2 4.21Å; I99-V132 HydrophobicContact CG2-CG2 4.35Å; L109-V132 HydrophobicContact CD2-CG1 3.84Å; T128-V132 WeakPolarHBondContact O-CG2 3.44Å; T128-V132 PolarHBondContact O-N 3.2Å; T128-V132 VanDerWaalsContact O-N 3.15Å; V129-V132 PolarHBondContact O-N 2.88Å; Q130-V132 PolarHBondContact O-N 3.23Å; V132-E134 VanDerWaalsContact C-N 3.33Å; V132-E134 PolarHBondContact O-N 2.7Å; V132-E135 PolarHBondContact O-N 2.61Å; V132-E136 HydrophobicContact CG1-CG 4.38Å; V132-E136 WeakPolarHBondContact O-CB 3.48Å; V132-E136 WeakPolarHBondContact O-CG 3.36Å; V132-E136 PolarHBondContact O-N 2.76Å
133L98.5Very high98Very high3 Ų342.7 Ų42.72%0.01623%0.23CC..Hα-helixtrans-58.9-43.4173.2-81.4161.3000112L109 A118 V129 Q130 T131 G137 A138 L140L109-L133 HydrophobicContact CD1-CD2 3.7Å; L109-L133 HydrophobicContact CD1-CG 4.09Å; L109-L133 HydrophobicContact CD2-CD2 4Å; L109-L133 HydrophobicContact CD2-CG 4.09Å; L109-L133 HydrophobicContact CG-CD2 4.47Å; A118-L133 HydrophobicContact CB-CD2 3.97Å; V129-L133 HydrophobicContact CG1-CD1 4.08Å; V129-L133 WeakPolarHBondContact O-CG 3.1Å; V129-L133 PolarHBondContact O-N 3.11Å; Q130-L133 WeakPolarHBondContact O-CB 3.01Å; Q130-L133 PolarHBondContact O-N 3.2Å; T131-L133 PolarHBondContact O-N 2.67Å; L133-G137 PolarHBondContact O-N 3Å; L133-A138 HydrophobicContact CD2-CB 4.22Å; L133-A138 PolarHBondContact O-N 2.75Å; L133-L140 HydrophobicContact CD1-CB 3.87Å; L133-L140 HydrophobicContact CD1-CD1 4.43Å; L133-L140 HydrophobicContact CD1-CD2 4.13Å; L133-L140 HydrophobicContact CD1-CG 4.36Å; L133-L140 HydrophobicContact CD2-CB 4Å
134E98.4Very high98Very high126 Ų12642.7 Ų42.759%0.58923%0.23SC*.Hα-helixtrans-67.2-42.9177.9-72.3166.8-174.200112Q130 T131 V132 E136 G137Q130-E134 WeakPolarHBondContact CG-OE1 3.41Å; Q130-E134 PolarHBondContact NE2-OE1 2.9Å; Q130-E134 WeakPolarHBondContact O-CG 3.45Å; Q130-E134 PolarHBondContact O-N 3.03Å; T131-E134 PolarHBondContact O-N 2.84Å; V132-E134 VanDerWaalsContact C-N 3.33Å; V132-E134 PolarHBondContact O-N 2.7Å; E134-E136 VanDerWaalsContact C-N 3.32Å; E134-E136 PolarHBondContact O-N 3.18Å; E134-G137 PolarHBondContact O-N 3.21Å
135E98.2Very high98.1Very high143 Ų14342.7 Ų42.767%0.66823%0.23SC*.Hα-helixtrans-61.7-38.5177-73.6172.7172.300112.4T131 V132 G137T131-E135 HydrophobicContact CG2-CG 4.43Å; T131-E135 WeakPolarHBondContact O-CG 3.39Å; T131-E135 PolarHBondContact O-N 3.13Å; V132-E135 PolarHBondContact O-N 2.61Å; E135-G137 VanDerWaalsContact C-N 3.34Å
136E98.2Very high98.2Very high67 Ų6742.5 Ų42.531%0.31323%0.229SC..THydrogen-bonded Turntrans-85.6-5.6178.1-66.1-71.2153.800113.3K95 I97 I111 V132 E134 A138K95-E136 WeakPolarHBondContact CD-OE2 3.45Å; K95-E136 IonicContact NZ-OE1 3.67Å; K95-E136 IonicContact NZ-OE2 2.69Å; K95-E136 PolarHBondContact NZ-OE2 2.84Å; I97-E136 VanDerWaalsContact CD1-CD 3.5Å; I97-E136 HydrophobicContact CD1-CG 3.52Å; I97-E136 WeakPolarHBondContact CD1-OE1 3.43Å; I111-E136 HydrophobicContact CD1-CB 3.65Å; I111-E136 HydrophobicContact CD1-CG 3.79Å; V132-E136 HydrophobicContact CG1-CG 4.38Å; V132-E136 WeakPolarHBondContact O-CB 3.48Å; V132-E136 WeakPolarHBondContact O-CG 3.36Å; V132-E136 PolarHBondContact O-N 2.76Å; E134-E136 VanDerWaalsContact C-N 3.32Å; E134-E136 PolarHBondContact O-N 3.18Å; E136-A138 HydrophobicContact CB-CB 4.31Å; E136-A138 PolarHBondContact O-N 3.49Å
137G98.1Very high98.3Very high58 Ų5841.3 Ų41.360%0.59822%0.221SC*.THydrogen-bonded Turntrans59.432-175.900000113.3L133 E134 E135L133-G137 PolarHBondContact O-N 3Å; E134-G137 PolarHBondContact O-N 3.21Å; E135-G137 VanDerWaalsContact C-N 3.34Å
138A98.3Very high98.3Very high11 Ų1136.5 Ų36.59%0.09120%0.198CC..  trans-102.5145.5-172.700000112.6I111 S116 A118 L133 E136I111-A138 HydrophobicContact CD1-CB 3.99Å; I111-A138 HydrophobicContact CG1-CB 4.27Å; I111-A138 HydrophobicContact CG2-CB 4.15Å; S116-A138 CarbonylContact O-C 3.55Å; S116-A138 VanDerWaalsContact O-CA 3.27Å; S116-A138 WeakPolarHBondContact O-CA 3.38Å; A118-A138 HydrophobicContact CB-CB 4.06Å; L133-A138 HydrophobicContact CD2-CB 4.22Å; L133-A138 PolarHBondContact O-N 2.75Å; E136-A138 HydrophobicContact CB-CB 4.31Å; E136-A138 PolarHBondContact O-N 3.49Å
139M98.3Very high98.4Very high102 Ų10234.8 Ų34.850%0.50219%0.187SC..EExtended strand (participates in β ladder)trans-97120.6178.3-174.8179.266.900110.8S116 V117 A118 E141S116-M139 PolarHBondContact O-N 3.29Å; V117-M139 CarbonylContact C-O 3.59Å; V117-M139 WeakPolarHBondContact CA-O 3.39Å; V117-M139 HydrophobicContact CG1-CE 4.04Å; A118-M139 PolarHBondContact N-O 3.4Å; M139-E141 HydrophobicContact CE-CG 3.83Å; M139-E141 WeakPolarHBondContact CE-OE1 3.33Å; M139-E141 PolarHBondContact O-N 3.05Å
140L98.7Very high98.4Very high5 Ų536.2 Ų36.23%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-76.4112178.8-176.169.1000111.5A120 L133 A142 I143 L159 H163 C166A120-L140 HydrophobicContact CB-CD1 3.7Å; L133-L140 HydrophobicContact CD1-CB 3.87Å; L133-L140 HydrophobicContact CD1-CD1 4.43Å; L133-L140 HydrophobicContact CD1-CD2 4.13Å; L133-L140 HydrophobicContact CD1-CG 4.36Å; L133-L140 HydrophobicContact CD2-CB 4Å; L140-A142 WeakPolarHBondContact CD1-O 2.95Å; L140-I143 HydrophobicContact CD2-CD1 4.25Å; L140-I143 HydrophobicContact CD2-CG1 4.21Å; L140-L159 HydrophobicContact CD2-CB 4Å; L140-L159 HydrophobicContact CD2-CD1 4.09Å; L140-L159 HydrophobicContact CD2-CD2 4.43Å; L140-L159 HydrophobicContact CD2-CG 4.41Å; L140-H163 HydrophobicContact CB-CB 4.48Å; L140-H163 HydrophobicContact CD2-CB 4.48Å; L140-C166 HydrophobicContact CG-CB 4.49Å
141E98.6Very high98.3Very high70 Ų7035.8 Ų35.833%0.32719%0.191SC..EExtended strand (participates in β ladder)trans-101.3-32.1177.5-69.8-158.4177.900113.5V117 A118 M139 C166 H167 V191V117-E141 HydrophobicContact CB-CG 4.14Å; V117-E141 HydrophobicContact CG1-CG 4.29Å; V117-E141 VanDerWaalsContact CG1-OE1 3.29Å; V117-E141 WeakPolarHBondContact CG1-OE1 3.46Å; A118-E141 PolarHBondContact O-N 3.09Å; M139-E141 HydrophobicContact CE-CG 3.83Å; M139-E141 WeakPolarHBondContact CE-OE1 3.33Å; M139-E141 PolarHBondContact O-N 3.05Å; E141-C166 VanDerWaalsContact O-CA 3.31Å; E141-C166 WeakPolarHBondContact O-CA 3.14Å; E141-H167 PolarHBondContact O-N 2.95Å; E141-V191 HydrophobicContact CB-CG1 3.8Å; E141-V191 HydrophobicContact CB-CG2 4.46Å; E141-V191 HydrophobicContact CG-CG1 4.33Å
142A98.8Very high98.3Very high0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-140.2148.2-178.100000113.2V119 A120 L140 H167 Y169 V191V119-A142 CarbonylContact C-O 3.54Å; V119-A142 WeakPolarHBondContact CA-O 3.43Å; V119-A142 HydrophobicContact CG1-CB 4.23Å; V119-A142 HydrophobicContact CG2-CB 4.05Å; A120-A142 PolarHBondContact N-O 3.29Å; L140-A142 WeakPolarHBondContact CD1-O 2.95Å; A142-H167 CarbonylContact C-O 3.33Å; A142-H167 WeakPolarHBondContact CA-O 3.28Å; A142-Y169 HydrophobicContact CB-CD2 3.99Å; A142-Y169 HydrophobicContact CB-CE2 3.66Å; A142-V191 HydrophobicContact CB-CG2 3.87Å
143I98.9Very high98.3Very high0 Ų031.8 Ų31.80%017%0.167CC..EExtended strand (participates in β ladder)trans-115.3123.9165.5-68.2167.3000107.7A120 P123 L140 L159 H167 V168 Y169A120-I143 HydrophobicContact CB-CG1 4.37Å; A120-I143 CarbonylContact O-C 3.57Å; A120-I143 VanDerWaalsContact O-CA 3.23Å; A120-I143 WeakPolarHBondContact O-CA 3.31Å; P123-I143 HydrophobicContact CG-CD1 4.1Å; P123-I143 HydrophobicContact CG-CG1 4.13Å; P123-I143 HydrophobicContact CG-CG2 3.68Å; L140-I143 HydrophobicContact CD2-CD1 4.25Å; L140-I143 HydrophobicContact CD2-CG1 4.21Å; I143-L159 HydrophobicContact CD1-CB 3.84Å; I143-L159 HydrophobicContact CD1-CD1 4.15Å; I143-H167 PolarHBondContact N-O 3.17Å; I143-V168 HydrophobicContact CB-CG2 4.32Å; I143-V168 HydrophobicContact CD1-CG2 4.24Å; I143-V168 HydrophobicContact CG2-CG1 4.36Å; I143-Y169 PolarHBondContact O-N 3.24Å
144L98.9Very high98.3Very high0 Ų032.1 Ų32.10%017%0.17CC..EExtended strand (participates in β ladder)trans-101.8110.1171.5-58.9-178.3000108.2V119 A120 V121 D122 Y169 V189 F196 Y211V119-L144 HydrophobicContact CG1-CD1 3.71Å; V119-L144 HydrophobicContact CG1-CG 3.58Å; A120-L144 PolarHBondContact O-N 3.44Å; V121-L144 VanDerWaalsContact CA-O 3.31Å; V121-L144 WeakPolarHBondContact CA-O 3.35Å; V121-L144 HydrophobicContact CG2-CB 4.18Å; V121-L144 HydrophobicContact CG2-CD1 4.37Å; D122-L144 PolarHBondContact N-O 3.34Å; L144-Y169 HydrophobicContact CD2-CD2 3.9Å; L144-Y169 HydrophobicContact CD2-CG 4.02Å; L144-V189 HydrophobicContact CD2-CB 4.3Å; L144-V189 HydrophobicContact CD2-CG1 4.15Å; L144-V189 HydrophobicContact CD2-CG2 4.11Å; L144-F196 HydrophobicContact CD1-CB 4.24Å; L144-F196 HydrophobicContact CD1-CD1 3.62Å; L144-F196 HydrophobicContact CD1-CD2 4.02Å; L144-F196 HydrophobicContact CD1-CE1 3.83Å; L144-F196 HydrophobicContact CD1-CE2 4.21Å; L144-F196 HydrophobicContact CD1-CG 3.7Å; L144-F196 HydrophobicContact CD1-CZ 4.12Å; L144-Y211 HydrophobicContact CB-CD1 4.12Å; L144-Y211 HydrophobicContact CB-CD2 3.8Å; L144-Y211 HydrophobicContact CB-CE1 3.99Å; L144-Y211 HydrophobicContact CB-CE2 3.67Å; L144-Y211 HydrophobicContact CB-CG 4.01Å; L144-Y211 HydrophobicContact CD1-CD1 3.85Å; L144-Y211 HydrophobicContact CD1-CD2 4.41Å; L144-Y211 HydrophobicContact CD1-CE1 4.41Å; L144-Y211 HydrophobicContact CD1-CG 3.83Å; L144-Y211 HydrophobicContact CD2-CD1 4.16Å; L144-Y211 HydrophobicContact CD2-CE1 3.95Å; L144-Y211 HydrophobicContact CG-CD1 4.26Å; L144-Y211 HydrophobicContact CG-CE1 4.33Å; L144-Y211 HydrophobicContact CG-CG 4.42Å
145C98.8Very high98.2Very high0 Ų026.1 Ų26.10%014%0.142CC..  trans-102.6120.2-179.4-165.30000110.1D122 H147 S153 N156 Y169 I176 Y211D122-C145 WeakPolarHBondContact OD1-CA 3.45Å; C145-H147 PolarHBondContact SG-O 2.99Å; C145-S153 VanDerWaalsContact SG-CB 3.52Å; C145-N156 PolarHBondContact SG-ND2 2.92Å; C145-N156 VanDerWaalsContact SG-ND2 3.41Å; C145-Y169 WeakPolarHBondContact CB-O 3.26Å; C145-Y169 PolarHBondContact N-O 3.38Å; C145-I176 HydrophobicContact CB-CD1 4.44Å; C145-I176 HydrophobicContact CB-CG2 3.75Å; C145-Y211 PolarHBondContact N-OH 2.53Å; C145-Y211 PolarHBondContact O-OH 3.27Å
146T98.9Very high98.2Very high0 Ų019.3 Ų19.30%011%0.11CC..  trans-70.2-43.3-176.661.50000110.7V121 D122 H208 M209 Y211V121-T146 HydrophobicContact CG1-CG2 4.18Å; D122-T146 VanDerWaalsContact CG-OG1 3.27Å; D122-T146 PolarHBondContact OD1-N 2.69Å; D122-T146 PolarHBondContact OD1-OG1 3.16Å; D122-T146 WeakPolarHBondContact OD2-CB 3.35Å; D122-T146 WeakPolarHBondContact OD2-CG2 3.25Å; D122-T146 PolarHBondContact OD2-OG1 2.77Å; T146-H208 CarbonylContact O-C 3.55Å; T146-H208 WeakPolarHBondContact O-CA 3.4Å; T146-M209 WeakPolarHBondContact CA-O 3.44Å; T146-M209 WeakPolarHBondContact CB-O 3.39Å; T146-M209 PolarHBondContact O-N 2.92Å; T146-Y211 HydrophobicContact CG2-CD2 4.04Å; T146-Y211 HydrophobicContact CG2-CE2 3.95Å
147H98.8Very high98.2Very high0 Ų021.6 Ų21.60%012%0.119CC..  trans-161.1173.8-178.871.2-75.9000113.1C145 H149 H152 D174 H204 T205 H208 D228C145-H147 PolarHBondContact SG-O 2.99Å; H147-H149 AromaticContact CD2-CD2 3.96Å; H147-H149 AromaticContact CD2-CG 3.54Å; H147-H149 PolarHBondContact CD2-N 3.28Å; H147-H149 AromaticContact CD2-ND1 3.85Å; H147-H149 WeakPolarHBondContact NE2-CB 3.48Å; H147-H149 AromaticContact NE2-CG 3.48Å; H147-H149 AromaticContact NE2-ND1 3.53Å; H147-H149 PolarHBondContact O-N 2.9Å; H147-H152 AromaticContact CE1-CD2 3.2Å; H147-H152 PolarHBondContact CE1-CD2 3.01Å; H147-H152 AromaticContact CE1-CE1 3.55Å; H147-H152 AromaticContact CE1-CG 3.3Å; H147-H152 AromaticContact CE1-ND1 3.5Å; H147-H152 AromaticContact CE1-NE2 3.4Å; H147-H152 PolarHBondContact CE1-NE2 3.17Å; H147-H152 AromaticContact ND1-CG 3.89Å; H147-H152 AromaticContact ND1-ND1 3.99Å; H147-H152 AromaticContact NE2-CD2 3.54Å; H147-H152 AromaticContact NE2-CG 3.94Å; H147-H152 AromaticContact NE2-NE2 3.95Å; H147-D174 VanDerWaalsContact CA-OD2 3.24Å; H147-D174 WeakPolarHBondContact CA-OD2 3.17Å; H147-D174 VanDerWaalsContact CB-OD2 3.23Å; H147-D174 WeakPolarHBondContact CB-OD2 3.48Å; H147-H204 AromaticContact CD2-CD2 3.74Å; H147-H204 AromaticContact CD2-NE2 3.93Å; H147-H204 AromaticContact NE2-CD2 3.73Å; H147-H204 AromaticContact NE2-NE2 3.57Å; H147-T205 HydrophobicContact CB-CG2 4.06Å; H147-T205 WeakPolarHBondContact CB-OG1 3.23Å; H147-H208 HydrophobicContact CB-CB 4.32Å; H147-H208 AromaticContact CG-CD2 3.69Å; H147-H208 AromaticContact ND1-CD2 3.67Å; H147-H208 AromaticContact ND1-NE2 3.65Å; H147-D228 IonicContact CE1-OD1 3.73Å
148K97.5Very high98.2Very high18 Ų1819.3 Ų19.38%0.07810%0.096CC..SBendtrans-78-9.9-167.472.5174.2165.1-1080117T59 S153 D174 I176 T205 E240T59-K148 HydrophobicContact CG2-CD 4.39Å; K148-S153 PolarHBondContact O-OG 2.89Å; K148-S153 VanDerWaalsContact O-OG 3.04Å; K148-D174 HydrophobicContact CB-CB 4.12Å; K148-D174 WeakPolarHBondContact CB-O 3.46Å; K148-D174 VanDerWaalsContact CD-O 3.22Å; K148-D174 WeakPolarHBondContact CD-O 3.47Å; K148-D174 WeakPolarHBondContact CD-OD1 3.39Å; K148-D174 WeakPolarHBondContact CE-OD1 3.36Å; K148-D174 PolarHBondContact N-OD2 2.83Å; K148-D174 IonicContact NZ-OD1 3.27Å; K148-D174 PolarHBondContact NZ-OD1 3.45Å; K148-I176 HydrophobicContact CB-CD1 4.17Å; K148-T205 HydrophobicContact CG-CG2 4.38Å; K148-E240 WeakPolarHBondContact CE-OE1 3.22Å; K148-E240 IonicContact NZ-OE1 2.75Å; K148-E240 PolarHBondContact NZ-OE1 3.2Å; K148-E240 IonicContact NZ-OE2 2.68Å; K148-E240 PolarHBondContact NZ-OE2 3.31Å
149H98Very high98.2Very high9 Ų918.8 Ų18.84%0.0429%0.092CC..  trans-63.7147.2-175.8-66.6177.7000110.2Y55 Y58 H147 D151 H152 S153 H204 T205Y55-H149 AromaticContact CE2-CE1 3.89Å; Y55-H149 AromaticContact CE2-NE2 3.42Å; Y55-H149 WeakPolarHBondContact CE2-NE2 3.36Å; Y55-H149 AromaticContact CZ-NE2 3.51Å; Y55-H149 PolarHBondContact OH-NE2 3.01Å; Y58-H149 HydrophobicContact CE1-CB 4.21Å; H147-H149 AromaticContact CD2-CD2 3.96Å; H147-H149 AromaticContact CD2-CG 3.54Å; H147-H149 PolarHBondContact CD2-N 3.28Å; H147-H149 AromaticContact CD2-ND1 3.85Å; H147-H149 WeakPolarHBondContact NE2-CB 3.48Å; H147-H149 AromaticContact NE2-CG 3.48Å; H147-H149 AromaticContact NE2-ND1 3.53Å; H147-H149 PolarHBondContact O-N 2.9Å; H149-D151 VanDerWaalsContact C-N 3.25Å; H149-D151 VanDerWaalsContact CB-OD1 3.31Å; H149-D151 WeakPolarHBondContact CB-OD1 3.49Å; H149-D151 PolarHBondContact O-N 2.88Å; H149-H152 PolarHBondContact O-N 3.21Å; H149-H152 VanDerWaalsContact O-N 3.11Å; H149-S153 PolarHBondContact O-N 2.85Å; H149-S153 PolarHBondContact O-OG 3.22Å; H149-H204 AromaticContact CE1-CD2 3.9Å; H149-H204 AromaticContact CE1-CE1 3.82Å; H149-H204 AromaticContact CE1-NE2 3.06Å; H149-H204 PolarHBondContact CE1-NE2 3.41Å; H149-H204 AromaticContact ND1-NE2 3.24Å; H149-H204 PolarHBondContact ND1-NE2 2.71Å; H149-T205 WeakPolarHBondContact NE2-CG2 3.05Å
150W97.4Very high98.1Very high32 Ų3216.6 Ų16.612%0.1218%0.079CC..Hα-helixtrans-70-25.9-168.2-73.9108.1000112.9Y58 Y65 Y68 H152 G154 P177Y58-W150 HydrophobicContact CE2-CB 4.33Å; Y58-W150 AromaticContact CE2-CD1 3.75Å; Y58-W150 HydrophobicContact CE2-CG 4.44Å; Y58-W150 AromaticContact CZ-CD1 3.97Å; Y58-W150 VanDerWaalsContact O-CD1 3.25Å; Y58-W150 PolarHBondContact O-NE1 3.35Å; Y58-W150 PolarHBondContact OH-N 3.34Å; Y65-W150 HydrophobicContact CD2-CD2 4.34Å; Y65-W150 AromaticContact CD2-CE3 3.74Å; Y65-W150 HydrophobicContact CD2-CE3 3.74Å; Y65-W150 AromaticContact CD2-CH2 3.93Å; Y65-W150 HydrophobicContact CD2-CH2 3.93Å; Y65-W150 HydrophobicContact CD2-CZ2 4.5Å; Y65-W150 AromaticContact CD2-CZ3 3.51Å; Y65-W150 HydrophobicContact CD2-CZ3 3.51Å; Y65-W150 HydrophobicContact CE2-CZ3 4.24Å; Y65-W150 HydrophobicContact CG-CH2 4.34Å; Y65-W150 HydrophobicContact CG-CZ3 4.35Å; Y68-W150 VanDerWaalsContact CB-CB 3.48Å; Y68-W150 HydrophobicContact CD1-CB 4.31Å; Y68-W150 HydrophobicContact CD1-CE3 4.5Å; Y68-W150 HydrophobicContact CD2-CB 4.04Å; Y68-W150 WeakPolarHBondContact CD2-O 3.47Å; Y68-W150 WeakPolarHBondContact CE2-O 3.23Å; Y68-W150 HydrophobicContact CG-CB 3.69Å; Y68-W150 HydrophobicContact CG-CG 4.45Å; W150-H152 PolarHBondContact O-N 2.95Å; W150-G154 WeakPolarHBondContact O-CA 3.31Å; W150-G154 PolarHBondContact O-N 3.18Å; W150-P177 HydrophobicContact CH2-CG 4.07Å; W150-P177 HydrophobicContact CZ3-CB 4.29Å; W150-P177 HydrophobicContact CZ3-CG 3.95Å
151D97.1Very high98Very high23 Ų2325.1 Ų25.112%0.12311%0.111CC..Hα-helixtrans-75.32.4174.455.2-49.3000113.9Y58 L102 N105 A124 H149 H266Y58-D151 PolarHBondContact OH-OD1 3.26Å; L102-D151 HydrophobicContact CD1-CB 3.51Å; N105-D151 PolarHBondContact ND2-O 3.35Å; N105-D151 PolarHBondContact ND2-OD2 2.72Å; N105-D151 VanDerWaalsContact ND2-OD2 3.15Å; A124-D151 WeakPolarHBondContact CB-O 3.45Å; H149-D151 VanDerWaalsContact C-N 3.25Å; H149-D151 VanDerWaalsContact CB-OD1 3.31Å; H149-D151 WeakPolarHBondContact CB-OD1 3.49Å; H149-D151 PolarHBondContact O-N 2.88Å; D151-H266 IonicContact OD2-CE1 2.92Å; D151-H266 PolarHBondContact OD2-CE1 2.95Å; D151-H266 IonicContact OD2-NE2 3.21Å
152H98.6Very high98Very high1 Ų127.1 Ų27.11%0.00512%0.124CC..Hα-helixtrans-122.1-48.5169.7-66.8-103.1000111.5D122 H147 H149 W150 D228 H266D122-H152 CarbonylContact C-O 3.56Å; D122-H152 WeakPolarHBondContact CA-O 3.4Å; D122-H152 HydrophobicContact CB-CB 3.87Å; D122-H152 IonicContact OD2-CE1 3.36Å; D122-H152 IonicContact OD2-CG 3.8Å; D122-H152 IonicContact OD2-ND1 3.16Å; D122-H152 PolarHBondContact OD2-ND1 2.95Å; H147-H152 AromaticContact CE1-CD2 3.2Å; H147-H152 PolarHBondContact CE1-CD2 3.01Å; H147-H152 AromaticContact CE1-CE1 3.55Å; H147-H152 AromaticContact CE1-CG 3.3Å; H147-H152 AromaticContact CE1-ND1 3.5Å; H147-H152 AromaticContact CE1-NE2 3.4Å; H147-H152 PolarHBondContact CE1-NE2 3.17Å; H147-H152 AromaticContact ND1-CG 3.89Å; H147-H152 AromaticContact ND1-ND1 3.99Å; H147-H152 AromaticContact NE2-CD2 3.54Å; H147-H152 AromaticContact NE2-CG 3.94Å; H147-H152 AromaticContact NE2-NE2 3.95Å; H149-H152 PolarHBondContact O-N 3.21Å; H149-H152 VanDerWaalsContact O-N 3.11Å; W150-H152 PolarHBondContact O-N 2.95Å; H152-D228 IonicContact CE1-OD1 2.68Å; H152-D228 PolarHBondContact CE1-OD1 3.22Å; H152-D228 IonicContact NE2-OD1 2.84Å; H152-D228 PolarHBondContact NE2-OD1 2.62Å; H152-H266 AromaticContact NE2-NE2 3.36Å; H152-H266 PolarHBondContact NE2-NE2 2.8Å
153S98.1Very high97.9Very high0 Ų029 Ų290%013%0.132CC..Hα-helixtrans-92.3-1.2-174.565.90000114.8C145 K148 H149 G155 N156C145-S153 VanDerWaalsContact SG-CB 3.52Å; K148-S153 PolarHBondContact O-OG 2.89Å; K148-S153 VanDerWaalsContact O-OG 3.04Å; H149-S153 PolarHBondContact O-N 2.85Å; H149-S153 PolarHBondContact O-OG 3.22Å; S153-G155 VanDerWaalsContact C-N 3.28Å; S153-G155 PolarHBondContact O-N 3.33Å; S153-N156 WeakPolarHBondContact O-CB 3.32Å; S153-N156 VanDerWaalsContact O-CG 3.27Å; S153-N156 PolarHBondContact O-N 2.76Å
154G96.9Very high97.8Very high9 Ų933.9 Ų33.99%0.09317%0.166CC..THydrogen-bonded Turntrans-62.9-28.2-169.300000115.3Y68 A124 W150Y68-G154 VanDerWaalsContact OH-C 3.31Å; Y68-G154 PolarHBondContact OH-O 3.38Å; A124-G154 CarbonylContact O-C 3.59Å; W150-G154 WeakPolarHBondContact O-CA 3.31Å; W150-G154 PolarHBondContact O-N 3.18Å
155G97.8Very high97.6Very high0 Ų037.7 Ų37.70%020%0.198CC..THydrogen-bonded Turntrans-95.6-8.1178.300000115.1P123 A124 S153 K157 G158 L159P123-G155 WeakPolarHBondContact O-CA 3.25Å; P123-G155 PolarHBondContact O-N 2.84Å; A124-G155 PolarHBondContact O-N 2.92Å; S153-G155 VanDerWaalsContact C-N 3.28Å; S153-G155 PolarHBondContact O-N 3.33Å; G155-K157 PolarHBondContact O-N 3.04Å; G155-G158 CarbonylContact O-C 3.48Å; G155-G158 WeakPolarHBondContact O-CA 3.16Å; G155-G158 PolarHBondContact O-N 2.91Å; G155-L159 PolarHBondContact O-N 2.73Å
156N98.4Very high97.5Very high0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-50.4-55.3-175.2-66.91.8000112.8C145 S153 G158 K160 V168 P177C145-N156 PolarHBondContact SG-ND2 2.92Å; C145-N156 VanDerWaalsContact SG-ND2 3.41Å; S153-N156 WeakPolarHBondContact O-CB 3.32Å; S153-N156 VanDerWaalsContact O-CG 3.27Å; S153-N156 PolarHBondContact O-N 2.76Å; N156-G158 VanDerWaalsContact C-N 3.26Å; N156-G158 PolarHBondContact O-N 3.42Å; N156-K160 VanDerWaalsContact O-CB 3.31Å; N156-K160 WeakPolarHBondContact O-CB 3.46Å; N156-K160 PolarHBondContact O-N 2.86Å; N156-V168 HydrophobicContact CB-CG1 4.32Å; N156-P177 WeakPolarHBondContact CB-O 3.3Å; N156-P177 PolarHBondContact ND2-O 3.31Å
157K97.3Very high97.5Very high115 Ų11541.1 Ų41.150%0.521%0.214SC..Hα-helixtrans-66.2-29.4178.4-67.7-174.8178.2-178.40112.5G155 R161G155-K157 PolarHBondContact O-N 3.04Å; K157-R161 WeakPolarHBondContact O-CG 3.41Å; K157-R161 PolarHBondContact O-N 2.85Å; K157-R161 PolarHBondContact O-NH1 3.21Å
158G97.3Very high97.5Very high11 Ų1141.1 Ų41.111%0.11321%0.214CC..Hα-helixtrans-67.2-57178.400000111.1G155 N156 R161 L162G155-G158 CarbonylContact O-C 3.48Å; G155-G158 WeakPolarHBondContact O-CA 3.16Å; G155-G158 PolarHBondContact O-N 2.91Å; N156-G158 VanDerWaalsContact C-N 3.26Å; N156-G158 PolarHBondContact O-N 3.42Å; G158-R161 PolarHBondContact O-N 2.89Å; G158-L162 PolarHBondContact O-N 3.06Å
159L98.3Very high97.5Very high0 Ų041.8 Ų41.80%022%0.216CC..Hα-helixtrans-63.1-41.8178.3-74175.2000112.3P123 P126 V129 Q130 L140 I143 G155 R161 L162 H163P123-L159 HydrophobicContact CB-CD1 3.38Å; P123-L159 HydrophobicContact CG-CD1 3.77Å; P126-L159 HydrophobicContact CB-CD2 4.3Å; P126-L159 HydrophobicContact CB-CG 3.9Å; P126-L159 WeakPolarHBondContact O-CD2 3.37Å; V129-L159 HydrophobicContact CB-CD1 4.09Å; V129-L159 HydrophobicContact CB-CD2 4.5Å; V129-L159 HydrophobicContact CG1-CD1 3.71Å; V129-L159 HydrophobicContact CG1-CD2 4.36Å; Q130-L159 HydrophobicContact CB-CD2 4.27Å; L140-L159 HydrophobicContact CD2-CB 4Å; L140-L159 HydrophobicContact CD2-CD1 4.09Å; L140-L159 HydrophobicContact CD2-CD2 4.43Å; L140-L159 HydrophobicContact CD2-CG 4.41Å; I143-L159 HydrophobicContact CD1-CB 3.84Å; I143-L159 HydrophobicContact CD1-CD1 4.15Å; G155-L159 PolarHBondContact O-N 2.73Å; L159-R161 PolarHBondContact O-N 3.32Å; L159-L162 CarbonylContact O-C 3.25Å; L159-L162 WeakPolarHBondContact O-CA 3.33Å; L159-L162 WeakPolarHBondContact O-CB 3.45Å; L159-L162 PolarHBondContact O-N 3.22Å; L159-H163 PolarHBondContact O-N 3.43Å
160K97.1Very high97.6Very high55 Ų5541.4 Ų41.424%0.23921%0.214CC..Hα-helixtrans-60-30.6176.4-178.5168.1-178.661.60113.6N156 H163 S164 C166 V168 T180N156-K160 VanDerWaalsContact O-CB 3.31Å; N156-K160 WeakPolarHBondContact O-CB 3.46Å; N156-K160 PolarHBondContact O-N 2.86Å; K160-H163 CarbonylContact O-C 3.6Å; K160-H163 VanDerWaalsContact O-C 3.25Å; K160-H163 VanDerWaalsContact O-O 3.06Å; K160-S164 PolarHBondContact NZ-O 3.32Å; K160-S164 WeakPolarHBondContact O-CA 3.01Å; K160-S164 PolarHBondContact O-N 3.33Å; K160-C166 PolarHBondContact NZ-O 3.2Å; K160-V168 HydrophobicContact CB-CG2 4.39Å; K160-V168 HydrophobicContact CD-CG2 4.06Å; K160-T180 HydrophobicContact CD-CG2 4.13Å
161R97.4Very high97.6Very high185 Ų18540.2 Ų40.270%0.69821%0.211SC*.Hα-helixtrans-71.4-33174.1-77.2-169.8-52.9-85.40.8112.3K157 G158 L159K157-R161 WeakPolarHBondContact O-CG 3.41Å; K157-R161 PolarHBondContact O-N 2.85Å; K157-R161 PolarHBondContact O-NH1 3.21Å; G158-R161 PolarHBondContact O-N 2.89Å; L159-R161 PolarHBondContact O-N 3.32Å
162L97.5Very high97.6Very high112 Ų11242.1 Ų42.159%0.58623%0.23SC*.Hα-helixtrans-77.1-35.8176.8-61.7174.4000111.3Q130 G158 L159Q130-L162 HydrophobicContact CB-CD1 4.43Å; Q130-L162 HydrophobicContact CG-CD1 4.15Å; G158-L162 PolarHBondContact O-N 3.06Å; L159-L162 CarbonylContact O-C 3.25Å; L159-L162 WeakPolarHBondContact O-CA 3.33Å; L159-L162 WeakPolarHBondContact O-CB 3.45Å; L159-L162 PolarHBondContact O-N 3.22Å
163H97.6Very high97.5Very high38 Ų3844.6 Ų44.618%0.17625%0.25CS..SBendtrans-11981.4-179.7-59.7-84.2000109.3Q130 L140 L159 K160 A165 C166Q130-H163 PolarHBondContact OE1-NE2 3.24Å; L140-H163 HydrophobicContact CB-CB 4.48Å; L140-H163 HydrophobicContact CD2-CB 4.48Å; L159-H163 PolarHBondContact O-N 3.43Å; K160-H163 CarbonylContact O-C 3.6Å; K160-H163 VanDerWaalsContact O-C 3.25Å; K160-H163 VanDerWaalsContact O-O 3.06Å; H163-A165 VanDerWaalsContact C-N 3.25Å; H163-A165 PolarHBondContact O-N 2.95Å; H163-C166 HydrophobicContact CB-CB 3.82Å; H163-C166 WeakPolarHBondContact O-CB 3.47Å; H163-C166 PolarHBondContact O-N 3.27Å
164S95.4Very high97.3Very high103 Ų10344.6 Ų44.672%0.7225%0.25SS*.THydrogen-bonded Turntrans-59.6-34.6-171.157.20000113.7K160 C166K160-S164 PolarHBondContact NZ-O 3.32Å; K160-S164 WeakPolarHBondContact O-CA 3.01Å; K160-S164 PolarHBondContact O-N 3.33Å; S164-C166 VanDerWaalsContact C-N 3.28Å; S164-C166 PolarHBondContact O-N 3.4Å
165A94.7Very high97.2Very high80 Ų8049.9 Ų49.966%0.66128%0.277SS*.THydrogen-bonded Turntrans-69.2-22.4176.500000113.3H163 H167H163-A165 VanDerWaalsContact C-N 3.25Å; H163-A165 PolarHBondContact O-N 2.95Å; A165-H167 PolarHBondContact O-CE1 2.99Å; A165-H167 PolarHBondContact O-N 3.48Å; A165-H167 PolarHBondContact O-ND1 2.94Å
166C97.3Very high97.1Very high0 Ų050.2 Ų50.20%028%0.278CS..  trans-59.5132.5-176174.70000112.4L140 E141 K160 H163 S164L140-C166 HydrophobicContact CG-CB 4.49Å; E141-C166 VanDerWaalsContact O-CA 3.31Å; E141-C166 WeakPolarHBondContact O-CA 3.14Å; K160-C166 PolarHBondContact NZ-O 3.2Å; H163-C166 HydrophobicContact CB-CB 3.82Å; H163-C166 WeakPolarHBondContact O-CB 3.47Å; H163-C166 PolarHBondContact O-N 3.27Å; S164-C166 VanDerWaalsContact C-N 3.28Å; S164-C166 PolarHBondContact O-N 3.4Å
167H98.6Very high97Very high73 Ų7351.1 Ų51.134%0.33828%0.284SS..EExtended strand (participates in β ladder)trans-93.2134176.5-66.6-7.4000110.7E141 A142 I143 A165 Y169 H181E141-H167 PolarHBondContact O-N 2.95Å; A142-H167 CarbonylContact C-O 3.33Å; A142-H167 WeakPolarHBondContact CA-O 3.28Å; I143-H167 PolarHBondContact N-O 3.17Å; A165-H167 PolarHBondContact O-CE1 2.99Å; A165-H167 PolarHBondContact O-N 3.48Å; A165-H167 PolarHBondContact O-ND1 2.94Å; H167-Y169 HydrophobicContact CB-CD2 4.17Å; H167-Y169 HydrophobicContact CB-CE2 3.42Å; H167-Y169 VanDerWaalsContact CB-CE2 3.42Å; H167-H181 AromaticContact CD2-CE1 3.5Å; H167-H181 AromaticContact CD2-NE2 3.75Å; H167-H181 AromaticContact CE1-CE1 3.63Å; H167-H181 AromaticContact CG-CE1 3.24Å; H167-H181 AromaticContact CG-ND1 3.53Å; H167-H181 AromaticContact CG-NE2 3.95Å; H167-H181 AromaticContact ND1-CE1 3.35Å; H167-H181 PolarHBondContact ND1-CE1 3.33Å; H167-H181 VanDerWaalsContact ND1-CE1 3.35Å; H167-H181 AromaticContact ND1-ND1 3.96Å; H167-H181 AromaticContact NE2-CE1 3.73Å; H167-H181 AromaticContact NE2-NE2 3.85Å
168V98.8Very high96.9Very high0 Ų046.6 Ų46.60%027%0.271CS..EExtended strand (participates in β ladder)trans-105.6114.9175.8-177.80000108I143 N156 K160 I176 G178 T180 H181I143-V168 HydrophobicContact CB-CG2 4.32Å; I143-V168 HydrophobicContact CD1-CG2 4.24Å; I143-V168 HydrophobicContact CG2-CG1 4.36Å; N156-V168 HydrophobicContact CB-CG1 4.32Å; K160-V168 HydrophobicContact CB-CG2 4.39Å; K160-V168 HydrophobicContact CD-CG2 4.06Å; V168-I176 HydrophobicContact CG1-CG2 4.32Å; V168-G178 VanDerWaalsContact CB-O 3.26Å; V168-G178 WeakPolarHBondContact CB-O 3.38Å; V168-G178 WeakPolarHBondContact CG2-O 3.5Å; V168-T180 PolarHBondContact N-OG1 3.44Å; V168-T180 PolarHBondContact O-N 3.05Å; V168-T180 PolarHBondContact O-OG1 2.91Å; V168-H181 PolarHBondContact O-N 3.15Å
169Y98.9Very high97Very high32 Ų3248.4 Ų48.413%0.12528%0.277CS..EExtended strand (participates in β ladder)trans-102.6150.6179.5-61.5-89.4000111.2A142 I143 L144 C145 H167 H181 L183 V189A142-Y169 HydrophobicContact CB-CD2 3.99Å; A142-Y169 HydrophobicContact CB-CE2 3.66Å; I143-Y169 PolarHBondContact O-N 3.24Å; L144-Y169 HydrophobicContact CD2-CD2 3.9Å; L144-Y169 HydrophobicContact CD2-CG 4.02Å; C145-Y169 WeakPolarHBondContact CB-O 3.26Å; C145-Y169 PolarHBondContact N-O 3.38Å; H167-Y169 HydrophobicContact CB-CD2 4.17Å; H167-Y169 HydrophobicContact CB-CE2 3.42Å; H167-Y169 VanDerWaalsContact CB-CE2 3.42Å; Y169-H181 WeakPolarHBondContact CA-O 3.31Å; Y169-H181 HydrophobicContact CD1-CB 3.4Å; Y169-H181 HydrophobicContact CE1-CB 3.35Å; Y169-H181 AromaticContact CE1-CG 3.91Å; Y169-H181 HydrophobicContact CG-CB 4.19Å; Y169-L183 HydrophobicContact CD1-CD1 3.95Å; Y169-L183 HydrophobicContact CD1-CD2 3.84Å; Y169-L183 HydrophobicContact CD1-CG 3.94Å; Y169-L183 HydrophobicContact CE1-CD2 4.4Å; Y169-L183 HydrophobicContact CG-CD1 4.23Å; Y169-V189 HydrophobicContact CD1-CG1 4.5Å; Y169-V189 HydrophobicContact CD1-CG2 3.75Å; Y169-V189 HydrophobicContact CD2-CG1 4.11Å; Y169-V189 HydrophobicContact CE1-CG1 4.13Å; Y169-V189 HydrophobicContact CE1-CG2 3.89Å; Y169-V189 HydrophobicContact CE2-CG1 3.7Å; Y169-V189 HydrophobicContact CG-CG1 4.48Å; Y169-V189 HydrophobicContact CG-CG2 4.08Å
170G98.6Very high97Very high0 Ų051.1 Ų51.10%029%0.294CS..EExtended strand (participates in β ladder)trans167174.4-175.700000111.4P182 L183 M209G170-P182 WeakPolarHBondContact O-CA 3.38Å; G170-L183 PolarHBondContact O-N 3.45Å; G170-M209 VanDerWaalsContact CA-CE 3.44Å
171S98.2Very high97.1Very high7 Ų751.8 Ų51.85%0.04930%0.298CS..EExtended strand (participates in β ladder)trans-76.8134.5175-174.20000111.2A173 D174 G207S171-A173 PolarHBondContact O-N 3.36Å; S171-A173 WeakPolarHBondContact OG-CB 3.41Å; S171-A173 PolarHBondContact OG-N 3.47Å; S171-A173 VanDerWaalsContact OG-N 3.14Å; S171-D174 PolarHBondContact O-N 3.24Å; S171-G207 WeakPolarHBondContact CB-O 3.01Å
172A97.3Very high97.1Very high64 Ų6446.7 Ų46.753%0.52929%0.289SS..G310 helixtrans-61.2-25.2168.600000112.4D174 P182A172-D174 VanDerWaalsContact C-N 3.25Å; A172-D174 PolarHBondContact O-N 3.15Å; A172-P182 HydrophobicContact CB-CB 3.89Å
173A96.4Very high97.2Very high52 Ų5242.1 Ų42.143%0.4327%0.265SS..G310 helixtrans-70.6-19.4-179.500000113.3S171S171-A173 PolarHBondContact O-N 3.36Å; S171-A173 WeakPolarHBondContact OG-CB 3.41Å; S171-A173 PolarHBondContact OG-N 3.47Å; S171-A173 VanDerWaalsContact OG-N 3.14Å
174D94.4Very high97.2Very high0 Ų044 Ų440%028%0.282CS..G310 helixtrans-100.11.3-175-133.713.2000114.8H147 K148 S171 A172 I176 T205H147-D174 VanDerWaalsContact CA-OD2 3.24Å; H147-D174 WeakPolarHBondContact CA-OD2 3.17Å; H147-D174 VanDerWaalsContact CB-OD2 3.23Å; H147-D174 WeakPolarHBondContact CB-OD2 3.48Å; K148-D174 HydrophobicContact CB-CB 4.12Å; K148-D174 WeakPolarHBondContact CB-O 3.46Å; K148-D174 VanDerWaalsContact CD-O 3.22Å; K148-D174 WeakPolarHBondContact CD-O 3.47Å; K148-D174 WeakPolarHBondContact CD-OD1 3.39Å; K148-D174 WeakPolarHBondContact CE-OD1 3.36Å; K148-D174 PolarHBondContact N-OD2 2.83Å; K148-D174 IonicContact NZ-OD1 3.27Å; K148-D174 PolarHBondContact NZ-OD1 3.45Å; S171-D174 PolarHBondContact O-N 3.24Å; A172-D174 VanDerWaalsContact C-N 3.25Å; A172-D174 PolarHBondContact O-N 3.15Å; D174-I176 VanDerWaalsContact C-N 3.28Å; D174-I176 HydrophobicContact CB-CD1 3.89Å; D174-I176 HydrophobicContact CB-CG1 4.22Å; D174-I176 PolarHBondContact O-N 3.37Å; D174-T205 VanDerWaalsContact CG-OG1 3.3Å; D174-T205 WeakPolarHBondContact OD1-CB 3.46Å; D174-T205 PolarHBondContact OD1-OG1 3.48Å; D174-T205 WeakPolarHBondContact OD2-CB 3.41Å; D174-T205 PolarHBondContact OD2-OG1 3.42Å
175N93.3Very high97.3Very high121 Ų12143 Ų4365%0.64727%0.266SS*.THydrogen-bonded Turntrans53.443.3-176.1-57.7-69.8000113.4P177N175-P177 WeakPolarHBondContact O-CD 3.45Å
176I96.8Very high97.5Very high7 Ų747.4 Ų47.44%0.03627%0.265CS..  trans-54.7122.9-178.6-61-62.3000111C145 K148 V168 D174 G178 L179C145-I176 HydrophobicContact CB-CD1 4.44Å; C145-I176 HydrophobicContact CB-CG2 3.75Å; K148-I176 HydrophobicContact CB-CD1 4.17Å; V168-I176 HydrophobicContact CG1-CG2 4.32Å; D174-I176 VanDerWaalsContact C-N 3.28Å; D174-I176 HydrophobicContact CB-CD1 3.89Å; D174-I176 HydrophobicContact CB-CG1 4.22Å; D174-I176 PolarHBondContact O-N 3.37Å; I176-G178 PolarHBondContact O-N 2.96Å; I176-G178 VanDerWaalsContact O-N 3.14Å; I176-L179 HydrophobicContact CB-CB 4.09Å; I176-L179 HydrophobicContact CB-CD1 4.23Å; I176-L179 HydrophobicContact CG2-CB 4.38Å; I176-L179 HydrophobicContact CG2-CD1 4.42Å; I176-L179 WeakPolarHBondContact O-CB 3.42Å; I176-L179 PolarHBondContact O-N 3.29Å; I176-L179 VanDerWaalsContact O-N 3.16Å
177P95.3Very high97.6Very high18 Ų1850.3 Ų50.312%0.11728%0.281CS..THydrogen-bonded Turntrans-57119176.4-28.235000112.6W150 N156 N175 L179W150-P177 HydrophobicContact CH2-CG 4.07Å; W150-P177 HydrophobicContact CZ3-CB 4.29Å; W150-P177 HydrophobicContact CZ3-CG 3.95Å; N156-P177 WeakPolarHBondContact CB-O 3.3Å; N156-P177 PolarHBondContact ND2-O 3.31Å; N175-P177 WeakPolarHBondContact O-CD 3.45Å; P177-L179 VanDerWaalsContact C-N 3.34Å
178G96.6Very high97.6Very high21 Ų2151 Ų5122%0.21629%0.291CS..THydrogen-bonded Turntrans81.311176.400000114.8V168 I176 T180V168-G178 VanDerWaalsContact CB-O 3.26Å; V168-G178 WeakPolarHBondContact CB-O 3.38Å; V168-G178 WeakPolarHBondContact CG2-O 3.5Å; I176-G178 PolarHBondContact O-N 2.96Å; I176-G178 VanDerWaalsContact O-N 3.14Å; G178-T180 PolarHBondContact O-N 3.09Å
179L98.4Very high97.6Very high48 Ų4851.1 Ų51.125%0.25129%0.291SS..  trans-49.5130.2174.5-171.567.8000111.5I176 P177 P182I176-L179 HydrophobicContact CB-CB 4.09Å; I176-L179 HydrophobicContact CB-CD1 4.23Å; I176-L179 HydrophobicContact CG2-CB 4.38Å; I176-L179 HydrophobicContact CG2-CD1 4.42Å; I176-L179 WeakPolarHBondContact O-CB 3.42Å; I176-L179 PolarHBondContact O-N 3.29Å; I176-L179 VanDerWaalsContact O-N 3.16Å; P177-L179 VanDerWaalsContact C-N 3.34Å; L179-P182 HydrophobicContact CD2-CB 4.19Å
180T98.4Very high97.5Very high58 Ų5854 Ų5436%0.35631%0.309SS..  trans-121.3-29.4172.754.60000113.1K160 V168 G178K160-T180 HydrophobicContact CD-CG2 4.13Å; V168-T180 PolarHBondContact N-OG1 3.44Å; V168-T180 PolarHBondContact O-N 3.05Å; V168-T180 PolarHBondContact O-OG1 2.91Å; G178-T180 PolarHBondContact O-N 3.09Å
181H98.5Very high97.4Very high68 Ų6854.3 Ų54.332%0.31531%0.311SS..EExtended strand (participates in β ladder)trans-127.788.6-176.6-65.177.8000109.1H167 V168 Y169H167-H181 AromaticContact CD2-CE1 3.5Å; H167-H181 AromaticContact CD2-NE2 3.75Å; H167-H181 AromaticContact CE1-CE1 3.63Å; H167-H181 AromaticContact CG-CE1 3.24Å; H167-H181 AromaticContact CG-ND1 3.53Å; H167-H181 AromaticContact CG-NE2 3.95Å; H167-H181 AromaticContact ND1-CE1 3.35Å; H167-H181 PolarHBondContact ND1-CE1 3.33Å; H167-H181 VanDerWaalsContact ND1-CE1 3.35Å; H167-H181 AromaticContact ND1-ND1 3.96Å; H167-H181 AromaticContact NE2-CE1 3.73Å; H167-H181 AromaticContact NE2-NE2 3.85Å; V168-H181 PolarHBondContact O-N 3.15Å; Y169-H181 WeakPolarHBondContact CA-O 3.31Å; Y169-H181 HydrophobicContact CD1-CB 3.4Å; Y169-H181 HydrophobicContact CE1-CB 3.35Å; Y169-H181 AromaticContact CE1-CG 3.91Å; Y169-H181 HydrophobicContact CG-CB 4.19Å
182P98.5Very high97.3Very high78 Ų7856.3 Ų56.351%0.50633%0.332SS..EExtended strand (participates in β ladder)trans-63.5142177.328.3-34.2000110.5G170 A172 L179G170-P182 WeakPolarHBondContact O-CA 3.38Å; A172-P182 HydrophobicContact CB-CB 3.89Å; L179-P182 HydrophobicContact CD2-CB 4.19Å
183L98.6Very high97.1Very high17 Ų1757.4 Ų57.49%0.08932%0.323CS..EExtended strand (participates in β ladder)trans-117.3152.2176.3-60.5173.4000111.6Y169 G170 D187 V189 A198 M209 Y211Y169-L183 HydrophobicContact CD1-CD1 3.95Å; Y169-L183 HydrophobicContact CD1-CD2 3.84Å; Y169-L183 HydrophobicContact CD1-CG 3.94Å; Y169-L183 HydrophobicContact CE1-CD2 4.4Å; Y169-L183 HydrophobicContact CG-CD1 4.23Å; G170-L183 PolarHBondContact O-N 3.45Å; L183-D187 HydrophobicContact CB-CB 4.32Å; L183-D187 HydrophobicContact CD2-CB 3.86Å; L183-V189 HydrophobicContact CD1-CG2 3.66Å; L183-V189 HydrophobicContact CD2-CG2 4.03Å; L183-V189 HydrophobicContact CG-CG2 4.49Å; L183-A198 HydrophobicContact CB-CB 4.32Å; L183-A198 HydrophobicContact CD1-CB 3.74Å; L183-M209 HydrophobicContact CB-CE 3.89Å; L183-M209 HydrophobicContact CB-SD 4.14Å; L183-M209 HydrophobicContact CD1-CE 4.05Å; L183-M209 HydrophobicContact CG-CE 4.49Å; L183-Y211 HydrophobicContact CD1-CE1 3.98Å
184S98.4Very high97.2Very high78 Ų7854.9 Ų54.955%0.54530%0.302SS..  trans-108.7172.3170.7-58.20000111.1R186 D187S184-R186 PolarHBondContact O-N 3.46Å; S184-D187 WeakPolarHBondContact CB-OD2 3.41Å; S184-D187 PolarHBondContact N-OD2 3.15Å; S184-D187 PolarHBondContact O-N 3.24Å
185H98.3Very high97.4Very high81 Ų8158.1 Ų58.138%0.37532%0.317SS..THydrogen-bonded Turntrans-58.9128.2176-175.278.3000111.2D187 F200H185-D187 VanDerWaalsContact C-N 3.28Å; H185-D187 PolarHBondContact O-N 2.87Å; H185-F200 HydrophobicContact CB-CB 3.7Å; H185-F200 PolarHBondContact ND1-N 3.04Å
186R98.2Very high97.7Very high172 Ų17252.5 Ų52.565%0.64929%0.287SS*.THydrogen-bonded Turntrans70.49.5-179-63166.1-176.9-159.6-3.5115.9S184 A198 L199S184-R186 PolarHBondContact O-N 3.46Å; R186-A198 VanDerWaalsContact CA-O 3.22Å; R186-A198 WeakPolarHBondContact CA-O 3.48Å; R186-A198 PolarHBondContact N-O 2.93Å; R186-L199 HydrophobicContact CG-CD2 4.13Å
187D98.7Very high97.8Very high61 Ų6156.8 Ų56.833%0.32631%0.305SS..  trans-62.2152.2167.8-73.1-9.3000110.6L183 S184 H185 A198L183-D187 HydrophobicContact CB-CB 4.32Å; L183-D187 HydrophobicContact CD2-CB 3.86Å; S184-D187 WeakPolarHBondContact CB-OD2 3.41Å; S184-D187 PolarHBondContact N-OD2 3.15Å; S184-D187 PolarHBondContact O-N 3.24Å; H185-D187 VanDerWaalsContact C-N 3.28Å; H185-D187 PolarHBondContact O-N 2.87Å; D187-A198 PolarHBondContact O-N 3.1Å
188T98.4Very high97.9Very high88 Ų8855.9 Ų55.954%0.5430%0.299SS..EExtended strand (participates in β ladder)trans-110.7141.6-178.456.60000111.6F196T188-F196 CarbonylContact C-O 3.55Å; T188-F196 WeakPolarHBondContact CA-O 3.41Å
189V98.6Very high98Very high2 Ų255.4 Ų55.41%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-120.9123170.3-1770000108.2L144 Y169 L183 V191 F196L144-V189 HydrophobicContact CD2-CB 4.3Å; L144-V189 HydrophobicContact CD2-CG1 4.15Å; L144-V189 HydrophobicContact CD2-CG2 4.11Å; Y169-V189 HydrophobicContact CD1-CG1 4.5Å; Y169-V189 HydrophobicContact CD1-CG2 3.75Å; Y169-V189 HydrophobicContact CD2-CG1 4.11Å; Y169-V189 HydrophobicContact CE1-CG1 4.13Å; Y169-V189 HydrophobicContact CE1-CG2 3.89Å; Y169-V189 HydrophobicContact CE2-CG1 3.7Å; Y169-V189 HydrophobicContact CG-CG1 4.48Å; Y169-V189 HydrophobicContact CG-CG2 4.08Å; L183-V189 HydrophobicContact CD1-CG2 3.66Å; L183-V189 HydrophobicContact CD2-CG2 4.03Å; L183-V189 HydrophobicContact CG-CG2 4.49Å; V189-V191 HydrophobicContact CG1-CG2 4.42Å; V189-F196 HydrophobicContact CB-CB 4.33Å; V189-F196 PolarHBondContact N-O 2.86Å; V189-F196 PolarHBondContact O-N 2.77Å
190N97.9Very high98.1Very high94 Ų9456.5 Ų56.550%0.50330%0.295SS..EExtended strand (participates in β ladder)trans-118.5125.8-177.8-61.5-42.3000109.6L194 H195N190-L194 WeakPolarHBondContact CA-O 3.37Å; N190-H195 PolarHBondContact OD1-ND1 3.06Å
191V97.3Very high98.1Very high6 Ų653.7 Ų53.74%0.03628%0.278CS..EExtended strand (participates in β ladder)trans-139108.7178.2172.20000107.6V117 V119 E141 A142 V189 R193 L194V117-V191 HydrophobicContact CB-CG1 4.12Å; V117-V191 HydrophobicContact CG2-CG1 3.62Å; V119-V191 HydrophobicContact CG2-CB 3.73Å; V119-V191 HydrophobicContact CG2-CG1 3.83Å; V119-V191 HydrophobicContact CG2-CG2 3.83Å; E141-V191 HydrophobicContact CB-CG1 3.8Å; E141-V191 HydrophobicContact CB-CG2 4.46Å; E141-V191 HydrophobicContact CG-CG1 4.33Å; A142-V191 HydrophobicContact CB-CG2 3.87Å; V189-V191 HydrophobicContact CG1-CG2 4.42Å; V191-R193 PolarHBondContact O-N 2.75Å; V191-L194 PolarHBondContact N-O 3.15Å; V191-L194 WeakPolarHBondContact O-CA 3.31Å; V191-L194 WeakPolarHBondContact O-CB 3.29Å; V191-L194 WeakPolarHBondContact O-CG 3.01Å; V191-L194 PolarHBondContact O-N 3.35Å
192G94.2Very high98.1Very high48 Ų4851.8 Ų51.850%0.49527%0.271SS..THydrogen-bonded Turntrans53.9-127-169.400000111.4L194G192-L194 VanDerWaalsContact C-N 3.3Å
193R94.9Very high98Very high87 Ų8748 Ų4833%0.32825%0.247SC..THydrogen-bonded Turntrans-83.30.6173.4-63.6174.563.6-158.8-5.2114.5N92 D112 V191 H195N92-R193 PolarHBondContact O-NH1 3.33Å; N92-R193 PolarHBondContact O-NH2 2.82Å; N92-R193 VanDerWaalsContact O-NH2 3.17Å; D112-R193 PolarHBondContact OD2-N 3.2Å; V191-R193 PolarHBondContact O-N 2.75Å; R193-H195 PolarHBondContact O-CD2 3.1Å; R193-H195 PolarHBondContact O-N 2.99Å
194L98.2Very high98Very high0 Ų047.4 Ų47.40%024%0.244CC..EExtended strand (participates in β ladder)trans-87.2105.1-177.5-46.1176.3000109.5I94 I110 D112 V119 N190 V191 G192 F196 L213I94-L194 HydrophobicContact CB-CD2 4.32Å; I94-L194 HydrophobicContact CD1-CD2 3.73Å; I94-L194 HydrophobicContact CG1-CD2 3.74Å; I94-L194 HydrophobicContact CG2-CD2 3.77Å; I110-L194 HydrophobicContact CB-CD1 4.41Å; I110-L194 HydrophobicContact CG2-CD1 3.89Å; I110-L194 HydrophobicContact CG2-CD2 3.78Å; I110-L194 HydrophobicContact CG2-CG 4.4Å; D112-L194 HydrophobicContact CB-CD1 4.43Å; D112-L194 HydrophobicContact CB-CD2 4.15Å; D112-L194 HydrophobicContact CB-CG 4.06Å; V119-L194 HydrophobicContact CB-CD1 4.38Å; V119-L194 HydrophobicContact CG2-CD1 3.86Å; N190-L194 WeakPolarHBondContact CA-O 3.37Å; V191-L194 PolarHBondContact N-O 3.15Å; V191-L194 WeakPolarHBondContact O-CA 3.31Å; V191-L194 WeakPolarHBondContact O-CB 3.29Å; V191-L194 WeakPolarHBondContact O-CG 3.01Å; V191-L194 PolarHBondContact O-N 3.35Å; G192-L194 VanDerWaalsContact C-N 3.3Å; L194-F196 HydrophobicContact CB-CD2 4.27Å; L194-F196 HydrophobicContact CB-CE2 3.62Å; L194-F196 HydrophobicContact CB-CZ 4.44Å; L194-L213 HydrophobicContact CB-CD1 4.21Å
195H98.3Very high97.9Very high68 Ų6843.7 Ų43.732%0.31522%0.218SC..EExtended strand (participates in β ladder)trans-106.5106.1-179.5-61.2-59.9000110.4N190 R193 D214N190-H195 PolarHBondContact OD1-ND1 3.06Å; R193-H195 PolarHBondContact O-CD2 3.1Å; R193-H195 PolarHBondContact O-N 2.99Å; H195-D214 HydrophobicContact CB-CB 4.18Å; H195-D214 PolarHBondContact O-N 2.98Å
196F98.8Very high97.9Very high3 Ų343.1 Ų43.11%0.01322%0.22CC..EExtended strand (participates in β ladder)trans-103.9140.5179.4-65-93.4000111.4I110 V119 L144 T188 V189 L194 L212 L213 F225I110-F196 HydrophobicContact CB-CZ 4.33Å; I110-F196 HydrophobicContact CG1-CZ 4.3Å; I110-F196 HydrophobicContact CG2-CZ 4.26Å; V119-F196 HydrophobicContact CB-CE2 4.09Å; V119-F196 HydrophobicContact CB-CZ 4.26Å; V119-F196 HydrophobicContact CG1-CE2 4.08Å; V119-F196 HydrophobicContact CG1-CZ 4.17Å; V119-F196 HydrophobicContact CG2-CE2 3.9Å; L144-F196 HydrophobicContact CD1-CB 4.24Å; L144-F196 HydrophobicContact CD1-CD1 3.62Å; L144-F196 HydrophobicContact CD1-CD2 4.02Å; L144-F196 HydrophobicContact CD1-CE1 3.83Å; L144-F196 HydrophobicContact CD1-CE2 4.21Å; L144-F196 HydrophobicContact CD1-CG 3.7Å; L144-F196 HydrophobicContact CD1-CZ 4.12Å; T188-F196 CarbonylContact C-O 3.55Å; T188-F196 WeakPolarHBondContact CA-O 3.41Å; V189-F196 HydrophobicContact CB-CB 4.33Å; V189-F196 PolarHBondContact N-O 2.86Å; V189-F196 PolarHBondContact O-N 2.77Å; L194-F196 HydrophobicContact CB-CD2 4.27Å; L194-F196 HydrophobicContact CB-CE2 3.62Å; L194-F196 HydrophobicContact CB-CZ 4.44Å; F196-L212 CarbonylContact C-O 3.34Å; F196-L212 WeakPolarHBondContact CA-O 3.39Å; F196-L213 HydrophobicContact CD1-CB 3.91Å; F196-L213 HydrophobicContact CD1-CD1 4.3Å; F196-L213 HydrophobicContact CD2-CD1 4.3Å; F196-L213 HydrophobicContact CE1-CB 3.73Å; F196-L213 HydrophobicContact CE1-CD1 4.05Å; F196-L213 HydrophobicContact CE1-CG 4.34Å; F196-L213 HydrophobicContact CE2-CD1 4.04Å; F196-L213 HydrophobicContact CG-CD1 4.43Å; F196-L213 HydrophobicContact CZ-CB 4.39Å; F196-L213 HydrophobicContact CZ-CD1 3.91Å; F196-F225 HydrophobicContact CE1-CD2 4.04Å; F196-F225 AromaticContact CE1-CE2 3.77Å; F196-F225 HydrophobicContact CE1-CE2 3.77Å
197K98.8Very high97.9Very high96 Ų9635 Ų3542%0.41719%0.189SC..EExtended strand (participates in β ladder)trans-105.9122.6163.6-172.8174.1-69.4168.60109.3L199 L212K197-L199 HydrophobicContact CD-CD2 4.03Å; K197-L199 HydrophobicContact CG-CD2 4Å; K197-L212 PolarHBondContact N-O 3.03Å; K197-L212 PolarHBondContact O-N 2.94Å
198A98.8Very high97.9Very high0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans-83.3127.7173.200000109.9L183 R186 D187 M209 Y211L183-A198 HydrophobicContact CB-CB 4.32Å; L183-A198 HydrophobicContact CD1-CB 3.74Å; R186-A198 VanDerWaalsContact CA-O 3.22Å; R186-A198 WeakPolarHBondContact CA-O 3.48Å; R186-A198 PolarHBondContact N-O 2.93Å; D187-A198 PolarHBondContact O-N 3.1Å; A198-M209 HydrophobicContact CB-CE 4.43Å; A198-Y211 HydrophobicContact CB-CD1 4.01Å; A198-Y211 HydrophobicContact CB-CE1 3.95Å
199L98.8Very high97.9Very high11 Ų1127.9 Ų27.96%0.05815%0.147CC..EExtended strand (participates in β ladder)trans-116.2118.2177.2-56.4173.2000108.4R186 K197 T201 M209 I210 T252R186-L199 HydrophobicContact CG-CD2 4.13Å; K197-L199 HydrophobicContact CD-CD2 4.03Å; K197-L199 HydrophobicContact CG-CD2 4Å; L199-T201 HydrophobicContact CB-CG2 4.47Å; L199-T201 PolarHBondContact O-N 2.76Å; L199-M209 VanDerWaalsContact O-CA 3.31Å; L199-M209 WeakPolarHBondContact O-CA 3.43Å; L199-I210 HydrophobicContact CB-CD1 4.23Å; L199-I210 HydrophobicContact CB-CG1 3.69Å; L199-I210 HydrophobicContact CD1-CD1 4.15Å; L199-I210 HydrophobicContact CD1-CG1 4.21Å; L199-I210 HydrophobicContact CG-CG1 4.43Å; L199-I210 PolarHBondContact N-O 3.02Å; L199-I210 PolarHBondContact O-N 2.83Å; L199-T252 HydrophobicContact CD1-CG2 4.01Å
200F98.7Very high97.9Very high70 Ų7027.8 Ų27.831%0.30715%0.147SC..EExtended strand (participates in β ladder)trans-68.9122.8174.1-172.9-121.3000110.7H185 P202 V206 M209H185-F200 HydrophobicContact CB-CB 3.7Å; H185-F200 PolarHBondContact ND1-N 3.04Å; F200-P202 HydrophobicContact CD1-CG 4.2Å; F200-P202 HydrophobicContact CE1-CB 4.23Å; F200-P202 HydrophobicContact CE1-CG 3.71Å; F200-P202 HydrophobicContact CZ-CB 4.1Å; F200-P202 HydrophobicContact CZ-CG 4.09Å; F200-V206 WeakPolarHBondContact CZ-O 3.43Å; F200-M209 HydrophobicContact CD2-CG 4.17Å
201T98.6Very high98Very high0 Ų023.3 Ų23.30%012%0.123CC..  trans-140.166.7-172.157.70000111.5L199 H208 I210 L229 S249L199-T201 HydrophobicContact CB-CG2 4.47Å; L199-T201 PolarHBondContact O-N 2.76Å; T201-H208 CarbonylContact C-O 3.56Å; T201-H208 PolarHBondContact N-O 3.02Å; T201-H208 WeakPolarHBondContact O-CB 3.48Å; T201-H208 PolarHBondContact OG1-ND1 3.3Å; T201-H208 PolarHBondContact OG1-O 3.23Å; T201-I210 HydrophobicContact CG2-CD1 3.65Å; T201-I210 HydrophobicContact CG2-CG1 3.8Å; T201-I210 HydrophobicContact CG2-CG2 4.41Å; T201-L229 HydrophobicContact CG2-CD2 3.75Å; T201-S249 WeakPolarHBondContact CA-OG 3.48Å
202P98.4Very high98Very high27 Ų2724.1 Ų24.118%0.17513%0.127CC..  trans-60149.1179.527.6-35.4000111.1F200 T245 S249F200-P202 HydrophobicContact CD1-CG 4.2Å; F200-P202 HydrophobicContact CE1-CB 4.23Å; F200-P202 HydrophobicContact CE1-CG 3.71Å; F200-P202 HydrophobicContact CZ-CB 4.1Å; F200-P202 HydrophobicContact CZ-CG 4.09Å; P202-T245 HydrophobicContact CB-CG2 3.74Å; P202-T245 HydrophobicContact CG-CG2 3.63Å; P202-T245 WeakPolarHBondContact O-CG2 3.43Å; P202-S249 PolarHBondContact O-OG 3.4Å
203G97.1Very high98.3Very high0 Ų022 Ų220%011%0.105CC..SBendtrans157.9-68.5179.900000111.2T205 G241G203-T205 PolarHBondContact N-O 3.19Å; G203-G241 WeakPolarHBondContact O-CA 3.39Å; G203-G241 PolarHBondContact O-N 3.4Å
204H97.9Very high98.4Very high4 Ų421.3 Ų21.32%0.01911%0.107CC..SBendtrans-63.2-60.3174.6179.577.2000110.4H147 H149 D228 R237 F239 E240 M246H147-H204 AromaticContact CD2-CD2 3.74Å; H147-H204 AromaticContact CD2-NE2 3.93Å; H147-H204 AromaticContact NE2-CD2 3.73Å; H147-H204 AromaticContact NE2-NE2 3.57Å; H149-H204 AromaticContact CE1-CD2 3.9Å; H149-H204 AromaticContact CE1-CE1 3.82Å; H149-H204 AromaticContact CE1-NE2 3.06Å; H149-H204 PolarHBondContact CE1-NE2 3.41Å; H149-H204 AromaticContact ND1-NE2 3.24Å; H149-H204 PolarHBondContact ND1-NE2 2.71Å; H204-D228 HydrophobicContact CB-CB 4.37Å; H204-D228 IonicContact CE1-OD2 3.62Å; H204-D228 PolarHBondContact CE1-OD2 3.2Å; H204-D228 IonicContact NE2-OD2 2.81Å; H204-R237 WeakPolarHBondContact CA-O 3.28Å; H204-R237 PolarHBondContact ND1-O 2.67Å; H204-F239 AromaticContact CE1-CD2 3.39Å; H204-F239 WeakPolarHBondContact CE1-CD2 3.44Å; H204-F239 AromaticContact CE1-CE2 3.37Å; H204-F239 WeakPolarHBondContact CE1-CE2 3.48Å; H204-F239 AromaticContact ND1-CD2 3.57Å; H204-F239 AromaticContact ND1-CE2 3.88Å; H204-F239 VanDerWaalsContact O-CB 3.3Å; H204-F239 WeakPolarHBondContact O-CB 3.42Å; H204-F239 PolarHBondContact O-N 3.07Å; H204-E240 PolarHBondContact O-N 3.09Å; H204-M246 HydrophobicContact CB-CE 4.4Å
205T98.3Very high98.2Very high0 Ų021.4 Ų21.40%011%0.109CC..SBendtrans-111.7166.8161.567.80000110.3H147 K148 H149 D174 G203 G207 H208H147-T205 HydrophobicContact CB-CG2 4.06Å; H147-T205 WeakPolarHBondContact CB-OG1 3.23Å; K148-T205 HydrophobicContact CG-CG2 4.38Å; H149-T205 WeakPolarHBondContact NE2-CG2 3.05Å; D174-T205 VanDerWaalsContact CG-OG1 3.3Å; D174-T205 WeakPolarHBondContact OD1-CB 3.46Å; D174-T205 PolarHBondContact OD1-OG1 3.48Å; D174-T205 WeakPolarHBondContact OD2-CB 3.41Å; D174-T205 PolarHBondContact OD2-OG1 3.42Å; G203-T205 PolarHBondContact N-O 3.19Å; T205-G207 PolarHBondContact O-N 3.38Å; T205-H208 WeakPolarHBondContact OG1-CB 3.46Å; T205-H208 PolarHBondContact OG1-N 2.9Å; T205-H208 VanDerWaalsContact OG1-N 3.16Å
206V97.3Very high97.9Very high69 Ų6922.4 Ų22.442%0.41812%0.121SC..THydrogen-bonded Turntrans-66.3-27.5177.372.90000112.4F200 E240F200-V206 WeakPolarHBondContact CZ-O 3.43Å; V206-E240 HydrophobicContact CB-CB 4.31Å; V206-E240 WeakPolarHBondContact CB-OE2 3.35Å; V206-E240 WeakPolarHBondContact CG1-OE2 3.43Å; V206-E240 PolarHBondContact N-OE2 3.38Å
207G97.8Very high97.5Very high0 Ų025 Ų250%014%0.143CC..THydrogen-bonded Turntrans-110.414.2-175.900000114.5S171 T205 M209S171-G207 WeakPolarHBondContact CB-O 3.01Å; T205-G207 PolarHBondContact O-N 3.38Å; G207-M209 PolarHBondContact O-N 3.46Å
208H98.8Very high97Very high0 Ų020.9 Ų20.90%013%0.126CC..  trans-61.6137.5-173.8-168.2-65.9000111.5T146 H147 T201 T205 S226 D228T146-H208 CarbonylContact O-C 3.55Å; T146-H208 WeakPolarHBondContact O-CA 3.4Å; H147-H208 HydrophobicContact CB-CB 4.32Å; H147-H208 AromaticContact CG-CD2 3.69Å; H147-H208 AromaticContact ND1-CD2 3.67Å; H147-H208 AromaticContact ND1-NE2 3.65Å; T201-H208 CarbonylContact C-O 3.56Å; T201-H208 PolarHBondContact N-O 3.02Å; T201-H208 WeakPolarHBondContact O-CB 3.48Å; T201-H208 PolarHBondContact OG1-ND1 3.3Å; T201-H208 PolarHBondContact OG1-O 3.23Å; T205-H208 WeakPolarHBondContact OG1-CB 3.46Å; T205-H208 PolarHBondContact OG1-N 2.9Å; T205-H208 VanDerWaalsContact OG1-N 3.16Å; H208-S226 PolarHBondContact CE1-O 2.84Å; H208-S226 VanDerWaalsContact CE1-O 3.23Å; H208-D228 PolarHBondContact NE2-N 2.88Å
209M98.8Very high96.8Very high0 Ų024.1 Ų24.10%016%0.16CC..EExtended strand (participates in β ladder)trans-128.4150.9172.6-58.3-163-49.200111T146 G170 L183 A198 L199 F200 G207 Y211T146-M209 WeakPolarHBondContact CA-O 3.44Å; T146-M209 WeakPolarHBondContact CB-O 3.39Å; T146-M209 PolarHBondContact O-N 2.92Å; G170-M209 VanDerWaalsContact CA-CE 3.44Å; L183-M209 HydrophobicContact CB-CE 3.89Å; L183-M209 HydrophobicContact CB-SD 4.14Å; L183-M209 HydrophobicContact CD1-CE 4.05Å; L183-M209 HydrophobicContact CG-CE 4.49Å; A198-M209 HydrophobicContact CB-CE 4.43Å; L199-M209 VanDerWaalsContact O-CA 3.31Å; L199-M209 WeakPolarHBondContact O-CA 3.43Å; F200-M209 HydrophobicContact CD2-CG 4.17Å; G207-M209 PolarHBondContact O-N 3.46Å; M209-Y211 HydrophobicContact CE-CE1 3.84Å; M209-Y211 WeakPolarHBondContact CE-OH 3.47Å
210I98.9Very high96.6Very high0 Ų024.5 Ų24.50%016%0.163CC..EExtended strand (participates in β ladder)trans-113.7152.3167.564.6-175.6000109.2L199 T201 L224 F225 S226 L229 V253L199-I210 HydrophobicContact CB-CD1 4.23Å; L199-I210 HydrophobicContact CB-CG1 3.69Å; L199-I210 HydrophobicContact CD1-CD1 4.15Å; L199-I210 HydrophobicContact CD1-CG1 4.21Å; L199-I210 HydrophobicContact CG-CG1 4.43Å; L199-I210 PolarHBondContact N-O 3.02Å; L199-I210 PolarHBondContact O-N 2.83Å; T201-I210 HydrophobicContact CG2-CD1 3.65Å; T201-I210 HydrophobicContact CG2-CG1 3.8Å; T201-I210 HydrophobicContact CG2-CG2 4.41Å; I210-L224 HydrophobicContact CB-CD1 4.03Å; I210-L224 HydrophobicContact CD1-CD1 3.79Å; I210-L224 HydrophobicContact CD1-CD2 4.32Å; I210-L224 HydrophobicContact CG1-CD1 3.93Å; I210-F225 WeakPolarHBondContact CA-O 3.31Å; I210-S226 WeakPolarHBondContact CG2-O 3.33Å; I210-L229 HydrophobicContact CD1-CD2 3.96Å; I210-L229 HydrophobicContact CG2-CB 3.95Å; I210-L229 HydrophobicContact CG2-CD2 3.73Å; I210-V253 HydrophobicContact CD1-CG2 3.89Å
211Y98.9Very high96.6Very high0 Ų023.3 Ų23.30%016%0.162CC..EExtended strand (participates in β ladder)trans-119.5121.4-177.2-58.4-81.9000110.2L144 C145 T146 L183 A198 M209 F225L144-Y211 HydrophobicContact CB-CD1 4.12Å; L144-Y211 HydrophobicContact CB-CD2 3.8Å; L144-Y211 HydrophobicContact CB-CE1 3.99Å; L144-Y211 HydrophobicContact CB-CE2 3.67Å; L144-Y211 HydrophobicContact CB-CG 4.01Å; L144-Y211 HydrophobicContact CD1-CD1 3.85Å; L144-Y211 HydrophobicContact CD1-CD2 4.41Å; L144-Y211 HydrophobicContact CD1-CE1 4.41Å; L144-Y211 HydrophobicContact CD1-CG 3.83Å; L144-Y211 HydrophobicContact CD2-CD1 4.16Å; L144-Y211 HydrophobicContact CD2-CE1 3.95Å; L144-Y211 HydrophobicContact CG-CD1 4.26Å; L144-Y211 HydrophobicContact CG-CE1 4.33Å; L144-Y211 HydrophobicContact CG-CG 4.42Å; C145-Y211 PolarHBondContact N-OH 2.53Å; C145-Y211 PolarHBondContact O-OH 3.27Å; T146-Y211 HydrophobicContact CG2-CD2 4.04Å; T146-Y211 HydrophobicContact CG2-CE2 3.95Å; L183-Y211 HydrophobicContact CD1-CE1 3.98Å; A198-Y211 HydrophobicContact CB-CD1 4.01Å; A198-Y211 HydrophobicContact CB-CE1 3.95Å; M209-Y211 HydrophobicContact CE-CE1 3.84Å; M209-Y211 WeakPolarHBondContact CE-OH 3.47Å; Y211-F225 PolarHBondContact N-O 2.92Å; Y211-F225 PolarHBondContact O-N 2.58Å
212L98.9Very high96.6Very high24 Ų2424 Ų2413%0.12617%0.167CC..EExtended strand (participates in β ladder)trans-103.1110.2178.1-176.369.5000109.1F196 K197 L224 L256 T260F196-L212 CarbonylContact C-O 3.34Å; F196-L212 WeakPolarHBondContact CA-O 3.39Å; K197-L212 PolarHBondContact N-O 3.03Å; K197-L212 PolarHBondContact O-N 2.94Å; L212-L224 HydrophobicContact CB-CD1 4.27Å; L212-L224 HydrophobicContact CD1-CB 4.14Å; L212-L224 HydrophobicContact CD1-CD1 4.2Å; L212-L256 HydrophobicContact CD1-CD1 4.39Å; L212-L256 HydrophobicContact CD2-CD2 4Å; L212-T260 HydrophobicContact CD1-CG2 3.96Å
213L98.8Very high96.6Very high4 Ų422.7 Ų22.72%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-75.1122.9168.6177.763.9000109.1I94 I96 I110 L194 F196 G215 S222 S223 F225I94-L213 HydrophobicContact CD1-CD1 4.48Å; I94-L213 HydrophobicContact CD1-CD2 4.19Å; I94-L213 HydrophobicContact CG2-CD2 4.15Å; I96-L213 HydrophobicContact CD1-CD2 4.4Å; I110-L213 HydrophobicContact CG2-CD2 4.11Å; L194-L213 HydrophobicContact CB-CD1 4.21Å; F196-L213 HydrophobicContact CD1-CB 3.91Å; F196-L213 HydrophobicContact CD1-CD1 4.3Å; F196-L213 HydrophobicContact CD2-CD1 4.3Å; F196-L213 HydrophobicContact CE1-CB 3.73Å; F196-L213 HydrophobicContact CE1-CD1 4.05Å; F196-L213 HydrophobicContact CE1-CG 4.34Å; F196-L213 HydrophobicContact CE2-CD1 4.04Å; F196-L213 HydrophobicContact CG-CD1 4.43Å; F196-L213 HydrophobicContact CZ-CB 4.39Å; F196-L213 HydrophobicContact CZ-CD1 3.91Å; L213-G215 PolarHBondContact O-N 3.13Å; L213-S222 WeakPolarHBondContact O-CA 3.41Å; L213-S222 WeakPolarHBondContact O-CB 3.45Å; L213-S223 PolarHBondContact N-O 2.77Å; L213-S223 PolarHBondContact O-N 3.01Å; L213-S223 VanDerWaalsContact O-N 3.09Å; L213-F225 HydrophobicContact CB-CE2 4.22Å
214D97.4Very high96.7Very high71 Ų7122.7 Ų22.738%0.3816%0.159SC..  trans-72.593178.1-170.5-14.6000110.2H195 P216 A217H195-D214 HydrophobicContact CB-CB 4.18Å; H195-D214 PolarHBondContact O-N 2.98Å; D214-P216 WeakPolarHBondContact OD1-CD 3.36Å; D214-A217 HydrophobicContact CB-CB 4.36Å; D214-A217 PolarHBondContact OD1-N 2.62Å
215G93.8Very high96.7Very high3 Ų322.6 Ų22.63%0.03116%0.158CC..SBendtrans-68.5-41.5175.400000113.7L213 A217 V218 G219 S220L213-G215 PolarHBondContact O-N 3.13Å; G215-A217 PolarHBondContact O-N 3.37Å; G215-A217 VanDerWaalsContact O-N 3.17Å; G215-V218 CarbonylContact O-C 3.56Å; G215-V218 WeakPolarHBondContact O-CA 3.31Å; G215-V218 VanDerWaalsContact O-CG2 3.24Å; G215-V218 WeakPolarHBondContact O-CG2 3.47Å; G215-V218 PolarHBondContact O-N 2.81Å; G215-G219 PolarHBondContact O-N 3Å; G215-G219 VanDerWaalsContact O-N 3.11Å; G215-S220 CarbonylContact C-O 3.53Å; G215-S220 VanDerWaalsContact CA-O 3.22Å; G215-S220 WeakPolarHBondContact CA-O 3.26Å; G215-S220 PolarHBondContact O-N 2.95Å; G215-S220 VanDerWaalsContact O-O 3.09Å
216P92.9Very high96.8Very high88 Ų8822.6 Ų22.657%0.57116%0.158SC*.G310 helixtrans-53.9-33.2177.9-32.836.4000114.2D214 V218 G219 S220 S222D214-P216 WeakPolarHBondContact OD1-CD 3.36Å; P216-V218 PolarHBondContact O-N 3.07Å; P216-V218 VanDerWaalsContact O-N 3.1Å; P216-G219 PolarHBondContact O-N 3.2Å; P216-S220 WeakPolarHBondContact CD-O 3.27Å; P216-S220 VanDerWaalsContact N-O 3.09Å; P216-S222 VanDerWaalsContact CD-OG 3.22Å; P216-S222 WeakPolarHBondContact CD-OG 3.41Å
217A89.6Confident96.8Very high58 Ų5819.4 Ų19.448%0.47914%0.14SC..G310 helixtrans-56.8-23.3172.900000113.7D214 G215D214-A217 HydrophobicContact CB-CB 4.36Å; D214-A217 PolarHBondContact OD1-N 2.62Å; G215-A217 PolarHBondContact O-N 3.37Å; G215-A217 VanDerWaalsContact O-N 3.17Å
218V89.8Confident96.9Very high9 Ų919.9 Ų19.96%0.05514%0.142CC..G310 helixtrans-120.821.5175-58.20000112.5N92 I94 G215 P216 S220N92-V218 VanDerWaalsContact CB-O 3.28Å; N92-V218 WeakPolarHBondContact CB-O 3.31Å; N92-V218 PolarHBondContact ND2-O 2.96Å; I94-V218 HydrophobicContact CD1-CG1 4.21Å; I94-V218 HydrophobicContact CD1-CG2 3.71Å; I94-V218 HydrophobicContact CG1-CG2 4.39Å; G215-V218 CarbonylContact O-C 3.56Å; G215-V218 WeakPolarHBondContact O-CA 3.31Å; G215-V218 VanDerWaalsContact O-CG2 3.24Å; G215-V218 WeakPolarHBondContact O-CG2 3.47Å; G215-V218 PolarHBondContact O-N 2.81Å; P216-V218 PolarHBondContact O-N 3.07Å; P216-V218 VanDerWaalsContact O-N 3.1Å; V218-S220 VanDerWaalsContact C-N 3.3Å; V218-S220 PolarHBondContact O-N 2.77Å
219G93.6Very high96.9Very high69 Ų6919.9 Ų19.971%0.71114%0.142SC*.THydrogen-bonded Turntrans61.833.6177.100000114.4G215 P216G215-G219 PolarHBondContact O-N 3Å; G215-G219 VanDerWaalsContact O-N 3.11Å; P216-G219 PolarHBondContact O-N 3.2Å
220S95.7Very high96.9Very high19 Ų1919.9 Ų19.913%0.13314%0.142CC..SBendtrans-129.8165.9176.4-62.90000110.7G215 P216 V218G215-S220 CarbonylContact C-O 3.53Å; G215-S220 VanDerWaalsContact CA-O 3.22Å; G215-S220 WeakPolarHBondContact CA-O 3.26Å; G215-S220 PolarHBondContact O-N 2.95Å; G215-S220 VanDerWaalsContact O-O 3.09Å; P216-S220 WeakPolarHBondContact CD-O 3.27Å; P216-S220 VanDerWaalsContact N-O 3.09Å; V218-S220 VanDerWaalsContact C-N 3.3Å; V218-S220 PolarHBondContact O-N 2.77Å
221P97.2Very high96.9Very high45 Ų4520.3 Ų20.329%0.29214%0.144SC..  trans-62.9147.3170.3-20.732.8000111.8D259 L261P221-D259 HydrophobicContact CB-CB 4.42Å; P221-D259 WeakPolarHBondContact CB-O 3.29Å; P221-L261 HydrophobicContact CB-CG 4.49Å
222S98.5Very high96.8Very high13 Ų1320.5 Ų20.59%0.09115%0.145CC..  trans-63.3153.2174-66.30000111.6L213 P216 T260 L261L213-S222 WeakPolarHBondContact O-CA 3.41Å; L213-S222 WeakPolarHBondContact O-CB 3.45Å; P216-S222 VanDerWaalsContact CD-OG 3.22Å; P216-S222 WeakPolarHBondContact CD-OG 3.41Å; S222-T260 CarbonylContact O-C 3.52Å; S222-T260 WeakPolarHBondContact O-CA 3.37Å; S222-L261 PolarHBondContact O-N 2.75Å
223S98.8Very high96.8Very high1 Ų119.3 Ų19.31%0.00714%0.139CC..EExtended strand (participates in β ladder)trans-120.9120.5176.4-75.80000111.1I96 L213 W263I96-S223 WeakPolarHBondContact CD1-OG 3.36Å; L213-S223 PolarHBondContact N-O 2.77Å; L213-S223 PolarHBondContact O-N 3.01Å; L213-S223 VanDerWaalsContact O-N 3.09Å; S223-W263 PolarHBondContact OG-NE1 2.9Å
224L98.9Very high96.8Very high0 Ų019.1 Ų19.10%014%0.138CC..EExtended strand (participates in β ladder)trans-98.7117.2177.6-17870.7000111.2I210 L212 V253 L256 T260 L261 L262 W263 I308I210-L224 HydrophobicContact CB-CD1 4.03Å; I210-L224 HydrophobicContact CD1-CD1 3.79Å; I210-L224 HydrophobicContact CD1-CD2 4.32Å; I210-L224 HydrophobicContact CG1-CD1 3.93Å; L212-L224 HydrophobicContact CB-CD1 4.27Å; L212-L224 HydrophobicContact CD1-CB 4.14Å; L212-L224 HydrophobicContact CD1-CD1 4.2Å; L224-V253 HydrophobicContact CD2-CG1 4.17Å; L224-V253 HydrophobicContact CD2-CG2 4.24Å; L224-L256 HydrophobicContact CD1-CD1 4.18Å; L224-L256 HydrophobicContact CD2-CD1 3.8Å; L224-L256 HydrophobicContact CG-CD1 4.39Å; L224-T260 HydrophobicContact CB-CG2 3.89Å; L224-L261 PolarHBondContact N-O 3.5Å; L224-L262 HydrophobicContact CD2-CD1 4.06Å; L224-L262 HydrophobicContact CG-CD1 4.5Å; L224-W263 WeakPolarHBondContact O-CB 3.34Å; L224-W263 PolarHBondContact O-N 2.69Å; L224-I308 HydrophobicContact CD2-CD1 4.17Å
225F98.9Very high96.8Very high1 Ų115.9 Ų15.90%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-93.4105.2168.5-55.5-85.4000109.3I96 Y108 I110 V121 F196 I210 Y211 L213 W263I96-F225 HydrophobicContact CD1-CZ 4.19Å; I96-F225 HydrophobicContact CG2-CE1 4.12Å; I96-F225 HydrophobicContact CG2-CZ 4.18Å; Y108-F225 HydrophobicContact CD1-CD1 4.45Å; Y108-F225 HydrophobicContact CD1-CE1 4.17Å; Y108-F225 AromaticContact CD2-CD1 3.63Å; Y108-F225 HydrophobicContact CD2-CD1 3.63Å; Y108-F225 HydrophobicContact CD2-CE1 4.12Å; Y108-F225 HydrophobicContact CE2-CD1 4.24Å; Y108-F225 AromaticContact CG-CD1 3.73Å; Y108-F225 HydrophobicContact CG-CD1 3.73Å; Y108-F225 AromaticContact CG-CE1 3.72Å; Y108-F225 HydrophobicContact CG-CE1 3.72Å; I110-F225 HydrophobicContact CD1-CE1 3.84Å; I110-F225 HydrophobicContact CD1-CE2 4.15Å; I110-F225 HydrophobicContact CD1-CZ 3.6Å; I110-F225 HydrophobicContact CG1-CE1 4.09Å; I110-F225 HydrophobicContact CG1-CE2 4.05Å; I110-F225 HydrophobicContact CG1-CZ 3.44Å; I110-F225 VanDerWaalsContact CG1-CZ 3.44Å; V121-F225 HydrophobicContact CB-CD1 4.41Å; V121-F225 HydrophobicContact CB-CG 4.49Å; V121-F225 HydrophobicContact CG1-CB 3.96Å; V121-F225 HydrophobicContact CG1-CG 4.42Å; V121-F225 HydrophobicContact CG2-CB 4.21Å; V121-F225 HydrophobicContact CG2-CD1 4.04Å; V121-F225 HydrophobicContact CG2-CD2 4.21Å; V121-F225 HydrophobicContact CG2-CG 3.87Å; F196-F225 HydrophobicContact CE1-CD2 4.04Å; F196-F225 AromaticContact CE1-CE2 3.77Å; F196-F225 HydrophobicContact CE1-CE2 3.77Å; I210-F225 WeakPolarHBondContact CA-O 3.31Å; Y211-F225 PolarHBondContact N-O 2.92Å; Y211-F225 PolarHBondContact O-N 2.58Å; L213-F225 HydrophobicContact CB-CE2 4.22Å; F225-W263 WeakPolarHBondContact CA-O 3.27Å; F225-W263 HydrophobicContact CD1-CB 3.55Å; F225-W263 HydrophobicContact CD1-CG 4.01Å; F225-W263 HydrophobicContact CE1-CB 3.84Å; F225-W263 AromaticContact CE1-CD1 3.89Å; F225-W263 HydrophobicContact CE1-CD2 4.45Å; F225-W263 AromaticContact CE1-CG 3.8Å; F225-W263 HydrophobicContact CE1-CG 3.8Å; F225-W263 HydrophobicContact CG-CB 4.32Å; F225-W263 HydrophobicContact CZ-CG 4.45Å
226S98.8Very high97Very high0 Ų015.8 Ų15.80%012%0.119CC..EExtended strand (participates in β ladder)trans-96.2-9-164.261.10000114.9H208 I210 D228 L229 V230 L262 W263 P264H208-S226 PolarHBondContact CE1-O 2.84Å; H208-S226 VanDerWaalsContact CE1-O 3.23Å; I210-S226 WeakPolarHBondContact CG2-O 3.33Å; S226-D228 PolarHBondContact O-N 3.41Å; S226-D228 VanDerWaalsContact O-N 3.15Å; S226-L229 WeakPolarHBondContact O-CB 3.12Å; S226-L229 PolarHBondContact O-N 3.14Å; S226-V230 VanDerWaalsContact CB-CG1 3.46Å; S226-V230 WeakPolarHBondContact CB-O 3.43Å; S226-V230 PolarHBondContact OG-O 3.1Å; S226-L262 WeakPolarHBondContact OG-CD1 3.48Å; S226-W263 PolarHBondContact N-O 3.31Å; S226-P264 WeakPolarHBondContact OG-CA 3.44Å
227G98.8Very high97.2Very high3 Ų316.9 Ų16.93%0.03111%0.112CC..EExtended strand (participates in β ladder)trans49.6-121.9-172.300000110.4F231 G265G227-F231 WeakPolarHBondContact O-CE1 3.36Å; G227-G265 PolarHBondContact O-N 3.48Å
228D98.8Very high97.5Very high10 Ų1015.2 Ų15.25%0.05310%0.095CC..THydrogen-bonded Turntrans-104.214.1-176.6-86.934.6000113.8H147 H152 H204 H208 S226 F231 G236 H266H147-D228 IonicContact CE1-OD1 3.73Å; H152-D228 IonicContact CE1-OD1 2.68Å; H152-D228 PolarHBondContact CE1-OD1 3.22Å; H152-D228 IonicContact NE2-OD1 2.84Å; H152-D228 PolarHBondContact NE2-OD1 2.62Å; H204-D228 HydrophobicContact CB-CB 4.37Å; H204-D228 IonicContact CE1-OD2 3.62Å; H204-D228 PolarHBondContact CE1-OD2 3.2Å; H204-D228 IonicContact NE2-OD2 2.81Å; H208-D228 PolarHBondContact NE2-N 2.88Å; S226-D228 PolarHBondContact O-N 3.41Å; S226-D228 VanDerWaalsContact O-N 3.15Å; D228-F231 HydrophobicContact CB-CE1 4.41Å; D228-F231 HydrophobicContact CB-CZ 4.01Å; D228-G236 WeakPolarHBondContact O-CA 3.39Å; D228-G236 PolarHBondContact O-N 3.18Å; D228-H266 IonicContact OD1-CD2 3.13Å; D228-H266 PolarHBondContact OD1-CD2 3.31Å; D228-H266 IonicContact OD1-NE2 3.98Å; D228-H266 PolarHBondContact OD1-NE2 3.12Å; D228-H266 IonicContact OD2-CD2 3.74Å; D228-H266 IonicContact OD2-NE2 2.67Å; D228-H266 PolarHBondContact OD2-NE2 3.37Å
229L98.8Very high97.6Very high0 Ų016.6 Ų16.60%010%0.1CC..SBendtrans-73.6-63.5173176.163.6000111.2T201 I210 S226 C235 G236 M246 L250 V253T201-L229 HydrophobicContact CG2-CD2 3.75Å; I210-L229 HydrophobicContact CD1-CD2 3.96Å; I210-L229 HydrophobicContact CG2-CB 3.95Å; I210-L229 HydrophobicContact CG2-CD2 3.73Å; S226-L229 WeakPolarHBondContact O-CB 3.12Å; S226-L229 PolarHBondContact O-N 3.14Å; L229-C235 VanDerWaalsContact O-CA 3.29Å; L229-C235 WeakPolarHBondContact O-CA 3.36Å; L229-C235 VanDerWaalsContact O-CB 3.31Å; L229-C235 WeakPolarHBondContact O-CB 3.24Å; L229-G236 PolarHBondContact O-N 3.1Å; L229-M246 HydrophobicContact CD1-SD 3.53Å; L229-M246 VanDerWaalsContact CD1-SD 3.53Å; L229-L250 HydrophobicContact CD1-CD2 4.26Å; L229-L250 HydrophobicContact CG-CD2 4.41Å; L229-V253 HydrophobicContact CD2-CG2 3.61Å; L229-V253 HydrophobicContact CG-CG2 4.5Å
230V98.6Very high97.7Very high0 Ų016.3 Ų16.30%08%0.08CC..EExtended strand (participates in β ladder)trans-126137.4-17762.90000109.5S226 L250 V253 L262 L318S226-V230 VanDerWaalsContact CB-CG1 3.46Å; S226-V230 WeakPolarHBondContact CB-O 3.43Å; S226-V230 PolarHBondContact OG-O 3.1Å; V230-L250 HydrophobicContact CB-CD2 4.38Å; V230-V253 HydrophobicContact CG1-CG1 4.07Å; V230-V253 HydrophobicContact CG1-CG2 4.16Å; V230-L262 HydrophobicContact CG1-CD1 3.76Å; V230-L262 HydrophobicContact CG1-CD2 4.33Å; V230-L262 HydrophobicContact CG2-CD2 4.35Å; V230-L318 HydrophobicContact CG2-CD1 4.44Å
231F98.7Very high97.7Very high9 Ų916.6 Ų16.64%0.0399%0.086CC..EExtended strand (participates in β ladder)trans-119.2168.4175.8-55.2-58.4000108.9G227 D228 S233 G234 P264 H266 Y268 N272 N315G227-F231 WeakPolarHBondContact O-CE1 3.36Å; D228-F231 HydrophobicContact CB-CE1 4.41Å; D228-F231 HydrophobicContact CB-CZ 4.01Å; F231-S233 PolarHBondContact O-N 3.33Å; F231-G234 PolarHBondContact N-O 2.77Å; F231-G234 PolarHBondContact O-N 3.29Å; F231-P264 HydrophobicContact CB-CB 4.5Å; F231-P264 HydrophobicContact CD1-CB 3.95Å; F231-H266 HydrophobicContact CE1-CB 4.18Å; F231-H266 AromaticContact CE1-CD2 3.77Å; F231-H266 AromaticContact CZ-CD2 3.97Å; F231-Y268 HydrophobicContact CD2-CD2 4.06Å; F231-Y268 HydrophobicContact CE1-CD2 4.47Å; F231-Y268 AromaticContact CE2-CD2 3.91Å; F231-Y268 HydrophobicContact CE2-CD2 3.91Å; F231-Y268 HydrophobicContact CE2-CE2 4.23Å; F231-Y268 HydrophobicContact CG-CD2 4.39Å; F231-Y268 HydrophobicContact CZ-CD2 4.12Å; F231-Y268 HydrophobicContact CZ-CE2 4.16Å; F231-N272 WeakPolarHBondContact CB-ND2 3.48Å; F231-N315 PolarHBondContact O-ND2 3.15Å; F231-N315 VanDerWaalsContact O-ND2 3.1Å
232L98.4Very high97.6Very high3 Ų318.7 Ų18.72%0.01610%0.095CC..THydrogen-bonded Turntrans-57116.3168-160.2165.6000109.3G234 A269 N272 L273 K289 V293 S303 E311 Y314L232-G234 PolarHBondContact O-N 2.88Å; L232-G234 VanDerWaalsContact O-N 3.16Å; L232-A269 HydrophobicContact CB-CB 4Å; L232-A269 HydrophobicContact CD1-CB 3.98Å; L232-A269 HydrophobicContact CD2-CB 3.92Å; L232-A269 HydrophobicContact CG-CB 4.18Å; L232-N272 VanDerWaalsContact O-CB 3.24Å; L232-N272 WeakPolarHBondContact O-CB 3.46Å; L232-N272 PolarHBondContact O-ND2 2.81Å; L232-L273 HydrophobicContact CD2-CD1 3.97Å; L232-L273 HydrophobicContact CD2-CG 4.43Å; L232-K289 HydrophobicContact CD2-CG 4.12Å; L232-V293 HydrophobicContact CD2-CG2 4.48Å; L232-S303 WeakPolarHBondContact CD1-O 3.42Å; L232-E311 WeakPolarHBondContact CA-OE1 3.28Å; L232-E311 WeakPolarHBondContact CG-OE1 3.33Å; L232-Y314 HydrophobicContact CD2-CE2 3.97Å
233S98.4Very high97.6Very high0 Ų018.5 Ų18.50%09%0.094CC..THydrogen-bonded Turntrans58.216.5-175-1690000115.9F231 N272 L273 E311F231-S233 PolarHBondContact O-N 3.33Å; S233-N272 WeakPolarHBondContact O-CB 3.14Å; S233-L273 WeakPolarHBondContact OG-CD2 3.37Å; S233-E311 PolarHBondContact N-OE2 3.44Å
234G98.4Very high97.5Very high0 Ų022.3 Ų22.30%012%0.117CC..EExtended strand (participates in β ladder)trans-145.3178.5-175.500000114.8F231 L232 N315F231-G234 PolarHBondContact N-O 2.77Å; F231-G234 PolarHBondContact O-N 3.29Å; L232-G234 PolarHBondContact O-N 2.88Å; L232-G234 VanDerWaalsContact O-N 3.16Å; G234-N315 PolarHBondContact N-ND2 3.23Å; G234-N315 PolarHBondContact N-OD1 3.13Å; G234-N315 PolarHBondContact O-ND2 2.65Å; G234-N315 VanDerWaalsContact O-ND2 3.15Å
235C98.4Very high97.5Very high3 Ų324.4 Ų24.42%0.0213%0.13CC..EExtended strand (participates in β ladder)trans-139.6165.9166.677.50000111.3L229 L250 F317 R351L229-C235 VanDerWaalsContact O-CA 3.29Å; L229-C235 WeakPolarHBondContact O-CA 3.36Å; L229-C235 VanDerWaalsContact O-CB 3.31Å; L229-C235 WeakPolarHBondContact O-CB 3.24Å; C235-L250 HydrophobicContact CB-CD2 4.19Å; C235-F317 HydrophobicContact CB-CB 3.92Å; C235-F317 HydrophobicContact CB-CD1 4.24Å; C235-F317 HydrophobicContact CB-CD2 4.25Å; C235-F317 HydrophobicContact CB-CG 3.87Å; C235-F317 WeakPolarHBondContact SG-CD1 3.48Å; C235-F317 VanDerWaalsContact SG-CE1 3.56Å; C235-F317 WeakPolarHBondContact SG-CG 3.14Å; C235-R351 PolarHBondContact O-NH1 3.5Å
236G97.8Very high97.4Very high0 Ų024.4 Ų24.40%013%0.13CC..  trans-57.2152.7173.200000113.9D228 L229D228-G236 WeakPolarHBondContact O-CA 3.39Å; D228-G236 PolarHBondContact O-N 3.18Å; L229-G236 PolarHBondContact O-N 3.1Å
237R96.7Very high97.4Very high111 Ų11124.5 Ų24.542%0.41913%0.131SC..  trans-67.9142.6161.4-78.4177.5-80.7-179.5-5.5109.4H204 F239 D355H204-R237 WeakPolarHBondContact CA-O 3.28Å; H204-R237 PolarHBondContact ND1-O 2.67Å; R237-F239 HydrophobicContact CB-CD2 3.97Å; R237-F239 HydrophobicContact CB-CE2 3.65Å; R237-F239 HydrophobicContact CB-CZ 4.32Å; R237-F239 PolarHBondContact O-N 2.9Å; R237-F239 VanDerWaalsContact O-N 3.12Å; R237-D355 WeakPolarHBondContact CG-OD1 3.3Å
238M95.4Very high97.4Very high24 Ų2428.1 Ų28.112%0.11816%0.156CC..  trans-84.678.2178.4-60.1-176.4-77.900109.9A243 M246 R351M238-A243 HydrophobicContact CE-CB 4.16Å; M238-A243 VanDerWaalsContact SD-CA 3.53Å; M238-A243 HydrophobicContact SD-CB 4.22Å; M238-A243 PolarHBondContact SD-N 2.85Å; M238-A243 VanDerWaalsContact SD-N 3.45Å; M238-M246 HydrophobicContact CG-CB 4.04Å; M238-M246 HydrophobicContact CG-CE 3.74Å; M238-M246 HydrophobicContact CG-CG 4.15Å; M238-M246 HydrophobicContact SD-CB 3.64Å; M238-M246 HydrophobicContact SD-CG 4.14Å; M238-R351 HydrophobicContact CE-CB 3.84Å; M238-R351 HydrophobicContact CE-CG 3.69Å
239F93.1Very high97.4Very high38 Ų3827.9 Ų27.917%0.16716%0.155CC..SBendtrans-70.1-38.6-179.2-72.1-96000111.9F51 Y55 H204 R237F51-F239 AromaticContact CE1-CD1 3.92Å; F51-F239 HydrophobicContact CE1-CD1 3.92Å; F51-F239 HydrophobicContact CE1-CE1 4.36Å; F51-F239 HydrophobicContact CE2-CD1 4.31Å; F51-F239 AromaticContact CE2-CE1 3.91Å; F51-F239 HydrophobicContact CE2-CE1 3.91Å; F51-F239 AromaticContact CZ-CD1 3.3Å; F51-F239 HydrophobicContact CZ-CD1 3.3Å; F51-F239 AromaticContact CZ-CE1 3.33Å; F51-F239 HydrophobicContact CZ-CE1 3.33Å; Y55-F239 AromaticContact CD2-CD1 3.72Å; Y55-F239 HydrophobicContact CD2-CD1 3.72Å; Y55-F239 HydrophobicContact CD2-CE1 4.11Å; Y55-F239 HydrophobicContact CE1-CB 4.39Å; Y55-F239 HydrophobicContact CE2-CB 4.13Å; Y55-F239 AromaticContact CE2-CD1 3.49Å; Y55-F239 HydrophobicContact CE2-CD1 3.49Å; Y55-F239 VanDerWaalsContact CE2-CD1 3.49Å; Y55-F239 HydrophobicContact CE2-CE1 4.08Å; Y55-F239 AromaticContact CE2-CG 3.95Å; Y55-F239 HydrophobicContact CE2-CG 3.95Å; Y55-F239 HydrophobicContact CG-CD1 4.46Å; H204-F239 AromaticContact CE1-CD2 3.39Å; H204-F239 WeakPolarHBondContact CE1-CD2 3.44Å; H204-F239 AromaticContact CE1-CE2 3.37Å; H204-F239 WeakPolarHBondContact CE1-CE2 3.48Å; H204-F239 AromaticContact ND1-CD2 3.57Å; H204-F239 AromaticContact ND1-CE2 3.88Å; H204-F239 VanDerWaalsContact O-CB 3.3Å; H204-F239 WeakPolarHBondContact O-CB 3.42Å; H204-F239 PolarHBondContact O-N 3.07Å; R237-F239 HydrophobicContact CB-CD2 3.97Å; R237-F239 HydrophobicContact CB-CE2 3.65Å; R237-F239 HydrophobicContact CB-CZ 4.32Å; R237-F239 PolarHBondContact O-N 2.9Å; R237-F239 VanDerWaalsContact O-N 3.12Å
240E95.1Very high97.4Very high63 Ų6328 Ų2829%0.29416%0.155SC..SBendtrans-128.2-7.2-172.4-59.7179-176.900114.3Y55 K148 H204 V206Y55-E240 HydrophobicContact CE1-CG 3.93Å; Y55-E240 WeakPolarHBondContact CE1-OE1 3.46Å; Y55-E240 VanDerWaalsContact CZ-OE1 3.32Å; Y55-E240 PolarHBondContact OH-OE1 2.95Å; K148-E240 WeakPolarHBondContact CE-OE1 3.22Å; K148-E240 IonicContact NZ-OE1 2.75Å; K148-E240 PolarHBondContact NZ-OE1 3.2Å; K148-E240 IonicContact NZ-OE2 2.68Å; K148-E240 PolarHBondContact NZ-OE2 3.31Å; H204-E240 PolarHBondContact O-N 3.09Å; V206-E240 HydrophobicContact CB-CB 4.31Å; V206-E240 WeakPolarHBondContact CB-OE2 3.35Å; V206-E240 WeakPolarHBondContact CG1-OE2 3.43Å; V206-E240 PolarHBondContact N-OE2 3.38Å
241G94.3Very high97.4Very high25 Ų2530.8 Ų30.826%0.25817%0.17SC..  trans-107178173.100000113.3G203G203-G241 WeakPolarHBondContact O-CA 3.39Å; G203-G241 PolarHBondContact O-N 3.4Å
242N96.1Very high97.4Very high88 Ų8832 Ų3247%0.47118%0.178SC..  trans-116.2175.7170.367.347.5000110.6T244 T245 M246N242-T244 VanDerWaalsContact C-N 3.3Å; N242-T244 PolarHBondContact O-N 3.33Å; N242-T244 WeakPolarHBondContact OD1-CA 3.4Å; N242-T244 WeakPolarHBondContact OD1-CB 3.43Å; N242-T244 PolarHBondContact OD1-N 3.3Å; N242-T245 PolarHBondContact O-N 3.45Å; N242-T245 PolarHBondContact OD1-N 3.12Å; N242-T245 PolarHBondContact OD1-OG1 3.13Å; N242-M246 WeakPolarHBondContact O-CB 3.48Å; N242-M246 PolarHBondContact O-N 2.86Å
243A97.6Very high97.4Very high9 Ų931.8 Ų31.87%0.07418%0.177CC..Hα-helixtrans-62.7-33.6-176.300000113.4M238 L247 A344 L347 E348M238-A243 HydrophobicContact CE-CB 4.16Å; M238-A243 VanDerWaalsContact SD-CA 3.53Å; M238-A243 HydrophobicContact SD-CB 4.22Å; M238-A243 PolarHBondContact SD-N 2.85Å; M238-A243 VanDerWaalsContact SD-N 3.45Å; A243-L247 WeakPolarHBondContact O-CB 3.45Å; A243-L247 PolarHBondContact O-N 3.04Å; A243-A344 HydrophobicContact CB-CB 4.43Å; A243-A344 VanDerWaalsContact CB-O 3.22Å; A243-A344 WeakPolarHBondContact CB-O 3.17Å; A243-L347 WeakPolarHBondContact O-CD2 3.37Å; A243-E348 HydrophobicContact CB-CB 3.73Å; A243-E348 HydrophobicContact CB-CG 4.22Å
244T97.9Very high97.4Very high81 Ų8133.1 Ų33.150%0.49719%0.191SC..Hα-helixtrans-66.7-45.1176.2-56.70000110.8N242 L247 S248N242-T244 VanDerWaalsContact C-N 3.3Å; N242-T244 PolarHBondContact O-N 3.33Å; N242-T244 WeakPolarHBondContact OD1-CA 3.4Å; N242-T244 WeakPolarHBondContact OD1-CB 3.43Å; N242-T244 PolarHBondContact OD1-N 3.3Å; T244-L247 PolarHBondContact O-N 3.49Å; T244-S248 PolarHBondContact O-N 3.45Å; T244-S248 VanDerWaalsContact O-N 3.15Å
245T97.9Very high97.4Very high45 Ų4537.6 Ų37.628%0.27622%0.222SC..Hα-helixtrans-62.5-48.1176.5-52.10000111.5P202 N242 L247 S248 S249P202-T245 HydrophobicContact CB-CG2 3.74Å; P202-T245 HydrophobicContact CG-CG2 3.63Å; P202-T245 WeakPolarHBondContact O-CG2 3.43Å; N242-T245 PolarHBondContact O-N 3.45Å; N242-T245 PolarHBondContact OD1-N 3.12Å; N242-T245 PolarHBondContact OD1-OG1 3.13Å; T245-L247 VanDerWaalsContact C-N 3.34Å; T245-L247 PolarHBondContact O-N 2.91Å; T245-S248 PolarHBondContact O-N 2.79Å; T245-S249 PolarHBondContact O-N 3.26Å; T245-S249 PolarHBondContact O-OG 2.85Å
246M98.4Very high97.4Very high1 Ų138.6 Ų38.61%0.00523%0.227CC..Hα-helixtrans-63.4-39178.1-178.663.385.300111.7H204 L229 M238 N242 S248 S249 L250 L347H204-M246 HydrophobicContact CB-CE 4.4Å; L229-M246 HydrophobicContact CD1-SD 3.53Å; L229-M246 VanDerWaalsContact CD1-SD 3.53Å; M238-M246 HydrophobicContact CG-CB 4.04Å; M238-M246 HydrophobicContact CG-CE 3.74Å; M238-M246 HydrophobicContact CG-CG 4.15Å; M238-M246 HydrophobicContact SD-CB 3.64Å; M238-M246 HydrophobicContact SD-CG 4.14Å; N242-M246 WeakPolarHBondContact O-CB 3.48Å; N242-M246 PolarHBondContact O-N 2.86Å; M246-S248 PolarHBondContact O-N 3.48Å; M246-S249 WeakPolarHBondContact O-CB 3.43Å; M246-S249 PolarHBondContact O-N 2.94Å; M246-L250 HydrophobicContact CG-CD1 3.93Å; M246-L250 HydrophobicContact CG-CG 4.32Å; M246-L250 WeakPolarHBondContact O-CG 3.48Å; M246-L250 PolarHBondContact O-N 2.85Å; M246-L250 HydrophobicContact SD-CD1 4.46Å; M246-L250 HydrophobicContact SD-CG 4.33Å; M246-L347 HydrophobicContact CB-CD2 4.03Å; M246-L347 HydrophobicContact CG-CD2 3.93Å
247L98.6Very high97.4Very high2 Ų241.3 Ų41.31%0.0125%0.246CC..Hα-helixtrans-60.3-46.1177.3-179.667.7000111.4A243 T244 T245 S249 L250 D251 S320 T340 R343 A344 L347A243-L247 WeakPolarHBondContact O-CB 3.45Å; A243-L247 PolarHBondContact O-N 3.04Å; T244-L247 PolarHBondContact O-N 3.49Å; T245-L247 VanDerWaalsContact C-N 3.34Å; T245-L247 PolarHBondContact O-N 2.91Å; L247-S249 VanDerWaalsContact C-N 3.28Å; L247-S249 PolarHBondContact O-N 2.96Å; L247-L250 PolarHBondContact O-N 2.92Å; L247-L250 VanDerWaalsContact O-N 3.16Å; L247-D251 WeakPolarHBondContact O-CB 3.38Å; L247-D251 PolarHBondContact O-N 3.26Å; L247-S320 WeakPolarHBondContact CD1-OG 3.21Å; L247-T340 HydrophobicContact CD2-CG2 4.14Å; L247-T340 WeakPolarHBondContact CD2-O 3.21Å; L247-R343 HydrophobicContact CD1-CB 4.3Å; L247-R343 HydrophobicContact CD2-CB 3.64Å; L247-A344 HydrophobicContact CD2-CB 4.07Å; L247-L347 HydrophobicContact CB-CD2 3.83Å; L247-L347 HydrophobicContact CD1-CD2 4.38Å
248S98.4Very high97.5Very high79 Ų7940.5 Ų40.555%0.55225%0.25SC*.Hα-helixtrans-59.9-39.1177.2179.70000112.3T244 T245 M246 D251 T252T244-S248 PolarHBondContact O-N 3.45Å; T244-S248 VanDerWaalsContact O-N 3.15Å; T245-S248 PolarHBondContact O-N 2.79Å; M246-S248 PolarHBondContact O-N 3.48Å; S248-D251 PolarHBondContact O-N 2.96Å; S248-T252 PolarHBondContact O-N 2.87Å; S248-T252 VanDerWaalsContact O-N 3.14Å; S248-T252 PolarHBondContact O-OG1 3.05Å
249S98.7Very high97.6Very high4 Ų443.4 Ų43.43%0.02827%0.266CS..Hα-helixtrans-66.1-41.4174.3-66.80000112.8T201 P202 T245 M246 L247 T252 V253T201-S249 WeakPolarHBondContact CA-OG 3.48Å; P202-S249 PolarHBondContact O-OG 3.4Å; T245-S249 PolarHBondContact O-N 3.26Å; T245-S249 PolarHBondContact O-OG 2.85Å; M246-S249 WeakPolarHBondContact O-CB 3.43Å; M246-S249 PolarHBondContact O-N 2.94Å; L247-S249 VanDerWaalsContact C-N 3.28Å; L247-S249 PolarHBondContact O-N 2.96Å; S249-T252 WeakPolarHBondContact O-CB 3.47Å; S249-T252 PolarHBondContact O-N 3.15Å; S249-V253 PolarHBondContact O-N 2.92Å
250L98.8Very high97.9Very high2 Ų241.7 Ų41.71%0.0126%0.258CS..Hα-helixtrans-69.3-34.6175.8-69170.1000112.1L229 V230 C235 M246 L247 T252 V253 G254 F317 L318 L347L229-L250 HydrophobicContact CD1-CD2 4.26Å; L229-L250 HydrophobicContact CG-CD2 4.41Å; V230-L250 HydrophobicContact CB-CD2 4.38Å; C235-L250 HydrophobicContact CB-CD2 4.19Å; M246-L250 HydrophobicContact CG-CD1 3.93Å; M246-L250 HydrophobicContact CG-CG 4.32Å; M246-L250 WeakPolarHBondContact O-CG 3.48Å; M246-L250 PolarHBondContact O-N 2.85Å; M246-L250 HydrophobicContact SD-CD1 4.46Å; M246-L250 HydrophobicContact SD-CG 4.33Å; L247-L250 PolarHBondContact O-N 2.92Å; L247-L250 VanDerWaalsContact O-N 3.16Å; L250-T252 VanDerWaalsContact C-N 3.27Å; L250-T252 PolarHBondContact O-N 3.46Å; L250-V253 WeakPolarHBondContact O-CB 3.48Å; L250-V253 PolarHBondContact O-N 3.35Å; L250-V253 VanDerWaalsContact O-N 3.12Å; L250-G254 PolarHBondContact O-N 3.05Å; L250-F317 HydrophobicContact CD1-CB 4.33Å; L250-L318 HydrophobicContact CB-CD2 4.2Å; L250-L318 HydrophobicContact CD2-CD2 3.97Å; L250-L347 HydrophobicContact CD1-CD1 3.96Å; L250-L347 HydrophobicContact CD1-CD2 3.93Å
251D98.6Very high98.1Very high59 Ų5939.9 Ų39.932%0.31625%0.251SS..Hα-helixtrans-65.1-33.2174.1-78.5-11.1000111.5L247 S248 V253 G254 S255 R343L247-D251 WeakPolarHBondContact O-CB 3.38Å; L247-D251 PolarHBondContact O-N 3.26Å; S248-D251 PolarHBondContact O-N 2.96Å; D251-V253 VanDerWaalsContact C-N 3.32Å; D251-V253 PolarHBondContact O-N 2.92Å; D251-G254 PolarHBondContact O-N 3.2Å; D251-S255 WeakPolarHBondContact O-CB 3.23Å; D251-S255 PolarHBondContact O-N 3.1Å; D251-R343 IonicContact OD1-CZ 3.87Å; D251-R343 IonicContact OD1-NH1 2.85Å; D251-R343 PolarHBondContact OD1-NH1 3.37Å; D251-R343 VanDerWaalsContact OD1-NH1 3.16Å; D251-R343 IonicContact OD1-NH2 3.13Å; D251-R343 PolarHBondContact OD1-NH2 3.09Å; D251-R343 IonicContact OD2-CZ 2.75Å; D251-R343 IonicContact OD2-NH1 2.72Å; D251-R343 PolarHBondContact OD2-NH1 2.85Å; D251-R343 IonicContact OD2-NH2 2.99Å
252T98.6Very high98.3Very high34 Ų3438.7 Ų38.721%0.20924%0.239CC..Hα-helixtrans-58.8-45.7170.6-59.50000110.8L199 S248 S249 L250 S255L199-T252 HydrophobicContact CD1-CG2 4.01Å; S248-T252 PolarHBondContact O-N 2.87Å; S248-T252 VanDerWaalsContact O-N 3.14Å; S248-T252 PolarHBondContact O-OG1 3.05Å; S249-T252 WeakPolarHBondContact O-CB 3.47Å; S249-T252 PolarHBondContact O-N 3.15Å; L250-T252 VanDerWaalsContact C-N 3.27Å; L250-T252 PolarHBondContact O-N 3.46Å; T252-S255 PolarHBondContact O-N 3.18Å; T252-S255 PolarHBondContact O-OG 3.42Å
253V98.5Very high98.4Very high0 Ų034.6 Ų34.60%022%0.216CC..Hα-helixtrans-64.9-45.4175.4177.20000111.3I210 L224 L229 V230 S249 L250 D251 S255 L256 I308 L318I210-V253 HydrophobicContact CD1-CG2 3.89Å; L224-V253 HydrophobicContact CD2-CG1 4.17Å; L224-V253 HydrophobicContact CD2-CG2 4.24Å; L229-V253 HydrophobicContact CD2-CG2 3.61Å; L229-V253 HydrophobicContact CG-CG2 4.5Å; V230-V253 HydrophobicContact CG1-CG1 4.07Å; V230-V253 HydrophobicContact CG1-CG2 4.16Å; S249-V253 PolarHBondContact O-N 2.92Å; L250-V253 WeakPolarHBondContact O-CB 3.48Å; L250-V253 PolarHBondContact O-N 3.35Å; L250-V253 VanDerWaalsContact O-N 3.12Å; D251-V253 VanDerWaalsContact C-N 3.32Å; D251-V253 PolarHBondContact O-N 2.92Å; V253-S255 PolarHBondContact O-N 2.82Å; V253-L256 WeakPolarHBondContact O-CB 3.38Å; V253-L256 WeakPolarHBondContact O-CG 3.49Å; V253-L256 PolarHBondContact O-N 3.28Å; V253-L256 VanDerWaalsContact O-N 3.08Å; V253-I308 HydrophobicContact CG1-CD1 3.61Å; V253-L318 HydrophobicContact CG1-CD1 4.46Å; V253-L318 HydrophobicContact CG1-CD2 4.44Å
254G98.1Very high98.5Very high27 Ų2734.2 Ų34.228%0.27821%0.214SC..Hα-helixtrans-62.2-22.6179.400000113.9L250 D251 K312L250-G254 PolarHBondContact O-N 3.05Å; D251-G254 PolarHBondContact O-N 3.2Å; G254-K312 WeakPolarHBondContact O-CE 3.36Å; G254-K312 PolarHBondContact O-NZ 3.43Å
255S98Very high98.5Very high94 Ų9430.4 Ų30.466%0.65719%0.19SC*.THydrogen-bonded Turntrans-81.1-10.7176.276.10000114.8D251 T252 V253D251-S255 WeakPolarHBondContact O-CB 3.23Å; D251-S255 PolarHBondContact O-N 3.1Å; T252-S255 PolarHBondContact O-N 3.18Å; T252-S255 PolarHBondContact O-OG 3.42Å; V253-S255 PolarHBondContact O-N 2.82Å
256L98.5Very high98.6Very high25 Ų2528.5 Ų28.513%0.13118%0.178CC..SBendtrans-71.6160.2177.6-58.5176000111.5L212 L224 V253 T260 I308 K312L212-L256 HydrophobicContact CD1-CD1 4.39Å; L212-L256 HydrophobicContact CD2-CD2 4Å; L224-L256 HydrophobicContact CD1-CD1 4.18Å; L224-L256 HydrophobicContact CD2-CD1 3.8Å; L224-L256 HydrophobicContact CG-CD1 4.39Å; V253-L256 WeakPolarHBondContact O-CB 3.38Å; V253-L256 WeakPolarHBondContact O-CG 3.49Å; V253-L256 PolarHBondContact O-N 3.28Å; V253-L256 VanDerWaalsContact O-N 3.08Å; L256-T260 HydrophobicContact CD1-CG2 4.37Å; L256-I308 HydrophobicContact CB-CG1 4.41Å; L256-I308 HydrophobicContact CB-CG2 4.43Å; L256-K312 PolarHBondContact O-NZ 2.64Å; L256-K312 VanDerWaalsContact O-NZ 3.1Å
257S98.3Very high98.5Very high56 Ų5629.4 Ų29.439%0.39218%0.182SC..  trans-62.2145.4177.767.90000111.2D259 T260S257-D259 WeakPolarHBondContact CB-OD1 3.44Å; S257-D259 PolarHBondContact O-N 3.08Å; S257-D259 PolarHBondContact OG-OD1 3.36Å; S257-T260 VanDerWaalsContact O-CB 3.28Å; S257-T260 WeakPolarHBondContact O-CB 3.49Å; S257-T260 PolarHBondContact O-N 3.03Å; S257-T260 PolarHBondContact O-OG1 2.91Å; S257-T260 PolarHBondContact OG-OG1 3.01Å
258D98.6Very high98.5Very high94 Ų9432.2 Ų32.250%0.50319%0.193SC..THydrogen-bonded Turntrans-64.8-26.6-174.6-71.6-16.8000113T260 T307 G309 K312D258-T260 VanDerWaalsContact C-N 3.32Å; D258-T307 WeakPolarHBondContact O-CB 3.47Å; D258-G309 WeakPolarHBondContact O-CA 3.21Å; D258-G309 PolarHBondContact O-N 3.41Å; D258-K312 IonicContact OD1-NZ 2.71Å; D258-K312 PolarHBondContact OD1-NZ 3.37Å
259D98.3Very high98.5Very high85 Ų8528.5 Ų28.546%0.45517%0.167SC..THydrogen-bonded Turntrans-81.5-6176.868.7-29.5000114P221 S257 L261P221-D259 HydrophobicContact CB-CB 4.42Å; P221-D259 WeakPolarHBondContact CB-O 3.29Å; S257-D259 WeakPolarHBondContact CB-OD1 3.44Å; S257-D259 PolarHBondContact O-N 3.08Å; S257-D259 PolarHBondContact OG-OD1 3.36Å; D259-L261 PolarHBondContact O-N 3.32Å
260T98.8Very high98.4Very high2 Ų230.6 Ų30.61%0.01218%0.177CC..  trans-60.3123.5177.6-67.70000110L212 S222 L224 L256 S257 D258 T307 I308L212-T260 HydrophobicContact CD1-CG2 3.96Å; S222-T260 CarbonylContact O-C 3.52Å; S222-T260 WeakPolarHBondContact O-CA 3.37Å; L224-T260 HydrophobicContact CB-CG2 3.89Å; L256-T260 HydrophobicContact CD1-CG2 4.37Å; S257-T260 VanDerWaalsContact O-CB 3.28Å; S257-T260 WeakPolarHBondContact O-CB 3.49Å; S257-T260 PolarHBondContact O-N 3.03Å; S257-T260 PolarHBondContact O-OG1 2.91Å; S257-T260 PolarHBondContact OG-OG1 3.01Å; D258-T260 VanDerWaalsContact C-N 3.32Å; T260-T307 CarbonylContact O-C 3.52Å; T260-T307 VanDerWaalsContact O-CA 3.29Å; T260-T307 WeakPolarHBondContact O-CA 3.28Å; T260-I308 HydrophobicContact CG2-CG1 3.87Å; T260-I308 PolarHBondContact O-N 3.48Å
261L98.8Very high98.3Very high26 Ų2633.1 Ų33.114%0.13619%0.19CC..EExtended strand (participates in β ladder)trans-72.5135.9176.9-57.5179.1000110.3L91 P221 S222 L224 D259 W263 P305 S306 T307L91-L261 HydrophobicContact CD1-CD1 3.95Å; P221-L261 HydrophobicContact CB-CG 4.49Å; S222-L261 PolarHBondContact O-N 2.75Å; L224-L261 PolarHBondContact N-O 3.5Å; D259-L261 PolarHBondContact O-N 3.32Å; L261-W263 HydrophobicContact CD1-CZ2 4.49Å; L261-P305 HydrophobicContact CB-CB 4.26Å; L261-S306 CarbonylContact C-O 3.6Å; L261-S306 WeakPolarHBondContact CA-O 3.27Å; L261-T307 HydrophobicContact CD2-CG2 4.11Å
262L98.9Very high98.3Very high0 Ų030.4 Ų30.40%018%0.176CC..EExtended strand (participates in β ladder)trans-105.8124.4179.4177.262.1000111.7L224 S226 V230 P264 P305 S306 I308 E311L224-L262 HydrophobicContact CD2-CD1 4.06Å; L224-L262 HydrophobicContact CG-CD1 4.5Å; S226-L262 WeakPolarHBondContact OG-CD1 3.48Å; V230-L262 HydrophobicContact CG1-CD1 3.76Å; V230-L262 HydrophobicContact CG1-CD2 4.33Å; V230-L262 HydrophobicContact CG2-CD2 4.35Å; L262-P264 WeakPolarHBondContact O-CD 3.28Å; L262-P305 VanDerWaalsContact O-CA 3.25Å; L262-P305 WeakPolarHBondContact O-CA 3.23Å; L262-P305 VanDerWaalsContact O-CB 3.31Å; L262-P305 WeakPolarHBondContact O-CB 3.41Å; L262-S306 PolarHBondContact N-O 2.77Å; L262-S306 PolarHBondContact O-N 2.62Å; L262-I308 HydrophobicContact CB-CD1 4.3Å; L262-I308 HydrophobicContact CD1-CD1 4.42Å; L262-E311 HydrophobicContact CD2-CG 3.68Å
263W98.8Very high98.3Very high1 Ų128.8 Ų28.80%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-119.991.5179.9-58.8101000110.7V89 I96 P98 Y108 S223 L224 F225 S226 L261 P305V89-W263 HydrophobicContact CB-CH2 4.04Å; V89-W263 HydrophobicContact CB-CZ2 4.29Å; V89-W263 HydrophobicContact CG2-CH2 3.69Å; V89-W263 HydrophobicContact CG2-CZ2 4.31Å; I96-W263 HydrophobicContact CB-CH2 4.48Å; I96-W263 HydrophobicContact CB-CZ2 4.19Å; I96-W263 HydrophobicContact CD1-CZ2 4.04Å; I96-W263 HydrophobicContact CG2-CD2 4.33Å; I96-W263 HydrophobicContact CG2-CH2 4.02Å; I96-W263 HydrophobicContact CG2-CZ2 3.83Å; I96-W263 HydrophobicContact CG2-CZ3 4.41Å; P98-W263 HydrophobicContact CG-CE3 4.25Å; P98-W263 HydrophobicContact CG-CH2 4.38Å; P98-W263 HydrophobicContact CG-CZ3 3.58Å; Y108-W263 HydrophobicContact CD1-CB 4.45Å; Y108-W263 HydrophobicContact CD1-CE3 4.09Å; Y108-W263 HydrophobicContact CD2-CB 4.47Å; Y108-W263 HydrophobicContact CE1-CB 3.97Å; Y108-W263 HydrophobicContact CE1-CD2 4.19Å; Y108-W263 AromaticContact CE1-CE3 3.52Å; Y108-W263 HydrophobicContact CE1-CE3 3.52Å; Y108-W263 HydrophobicContact CE1-CG 4.43Å; Y108-W263 HydrophobicContact CE1-CZ3 4.31Å; Y108-W263 HydrophobicContact CE2-CB 3.96Å; Y108-W263 VanDerWaalsContact OH-C 3.26Å; S223-W263 PolarHBondContact OG-NE1 2.9Å; L224-W263 WeakPolarHBondContact O-CB 3.34Å; L224-W263 PolarHBondContact O-N 2.69Å; F225-W263 WeakPolarHBondContact CA-O 3.27Å; F225-W263 HydrophobicContact CD1-CB 3.55Å; F225-W263 HydrophobicContact CD1-CG 4.01Å; F225-W263 HydrophobicContact CE1-CB 3.84Å; F225-W263 AromaticContact CE1-CD1 3.89Å; F225-W263 HydrophobicContact CE1-CD2 4.45Å; F225-W263 AromaticContact CE1-CG 3.8Å; F225-W263 HydrophobicContact CE1-CG 3.8Å; F225-W263 HydrophobicContact CG-CB 4.32Å; F225-W263 HydrophobicContact CZ-CG 4.45Å; S226-W263 PolarHBondContact N-O 3.31Å; L261-W263 HydrophobicContact CD1-CZ2 4.49Å; W263-P305 HydrophobicContact CD2-CB 3.87Å; W263-P305 HydrophobicContact CE3-CB 3.89Å; W263-P305 HydrophobicContact CE3-CG 4.39Å; W263-P305 HydrophobicContact CH2-CB 3.93Å; W263-P305 VanDerWaalsContact CH2-CD 3.46Å; W263-P305 HydrophobicContact CH2-CG 3.54Å; W263-P305 HydrophobicContact CZ2-CB 3.85Å; W263-P305 HydrophobicContact CZ2-CG 3.64Å; W263-P305 HydrophobicContact CZ3-CB 3.91Å; W263-P305 VanDerWaalsContact CZ3-CD 3.5Å; W263-P305 HydrophobicContact CZ3-CG 3.9Å
264P98.7Very high98.2Very high2 Ų231 Ų311%0.01318%0.177CC..EExtended strand (participates in β ladder)trans-83.8154.1-173.933.4-35.9000115.3Y108 S226 F231 L262 H266 S304Y108-P264 WeakPolarHBondContact OH-CD 3.46Å; Y108-P264 PolarHBondContact OH-O 3.25Å; S226-P264 WeakPolarHBondContact OG-CA 3.44Å; F231-P264 HydrophobicContact CB-CB 4.5Å; F231-P264 HydrophobicContact CD1-CB 3.95Å; L262-P264 WeakPolarHBondContact O-CD 3.28Å; P264-H266 PolarHBondContact O-N 3.16Å; P264-H266 VanDerWaalsContact O-N 3.15Å; P264-S304 VanDerWaalsContact CD-OG 3.25Å; P264-S304 WeakPolarHBondContact CD-OG 3.38Å; P264-S304 VanDerWaalsContact CG-OG 3.31Å; P264-S304 WeakPolarHBondContact CG-OG 3.43Å
265G98.6Very high98.2Very high1 Ų129.8 Ų29.81%0.0116%0.164CC..SBendtrans-62.6-23.1178.800000115.5N105 Y106 G227N105-G265 CarbonylContact C-O 3.54Å; N105-G265 VanDerWaalsContact CA-O 3.28Å; N105-G265 WeakPolarHBondContact CA-O 3.44Å; Y106-G265 PolarHBondContact N-O 2.97Å; G227-G265 PolarHBondContact O-N 3.48Å
266H98.7Very high98.2Very high5 Ų525.3 Ų25.32%0.02313%0.133CC..BIsolated β-bridgetrans-140.9150.6-173.1-65.4-96.5000114.9D104 N105 D151 H152 D228 F231 P264 Y268D104-H266 CarbonylContact O-C 3.43Å; D104-H266 WeakPolarHBondContact O-CA 3.22Å; D104-H266 IonicContact OD1-CE1 3.7Å; D104-H266 IonicContact OD1-CG 3.9Å; D104-H266 IonicContact OD1-ND1 3.88Å; D104-H266 PolarHBondContact OD1-ND1 2.93Å; N105-H266 VanDerWaalsContact CG-CE1 3.49Å; N105-H266 PolarHBondContact ND2-CE1 3.25Å; N105-H266 PolarHBondContact ND2-NE2 3.47Å; D151-H266 IonicContact OD2-CE1 2.92Å; D151-H266 PolarHBondContact OD2-CE1 2.95Å; D151-H266 IonicContact OD2-NE2 3.21Å; H152-H266 AromaticContact NE2-NE2 3.36Å; H152-H266 PolarHBondContact NE2-NE2 2.8Å; D228-H266 IonicContact OD1-CD2 3.13Å; D228-H266 PolarHBondContact OD1-CD2 3.31Å; D228-H266 IonicContact OD1-NE2 3.98Å; D228-H266 PolarHBondContact OD1-NE2 3.12Å; D228-H266 IonicContact OD2-CD2 3.74Å; D228-H266 IonicContact OD2-NE2 2.67Å; D228-H266 PolarHBondContact OD2-NE2 3.37Å; F231-H266 HydrophobicContact CE1-CB 4.18Å; F231-H266 AromaticContact CE1-CD2 3.77Å; F231-H266 AromaticContact CZ-CD2 3.97Å; P264-H266 PolarHBondContact O-N 3.16Å; P264-H266 VanDerWaalsContact O-N 3.15Å; H266-Y268 VanDerWaalsContact C-N 3.27Å; H266-Y268 HydrophobicContact CB-CD1 3.86Å; H266-Y268 HydrophobicContact CB-CD2 3.63Å; H266-Y268 HydrophobicContact CB-CE1 3.77Å; H266-Y268 HydrophobicContact CB-CE2 3.56Å; H266-Y268 HydrophobicContact CB-CG 3.78Å; H266-Y268 AromaticContact CD2-CE2 3.96Å; H266-Y268 PolarHBondContact CE1-OH 3.43Å; H266-Y268 AromaticContact CG-CE2 3.62Å; H266-Y268 AromaticContact CG-CZ 3.54Å; H266-Y268 AromaticContact ND1-CE1 3.97Å; H266-Y268 AromaticContact ND1-CZ 3.49Å; H266-Y268 PolarHBondContact ND1-OH 3.22Å; H266-Y268 PolarHBondContact O-N 2.84Å
267E98.2Very high98.1Very high19 Ų1925.4 Ų25.49%0.08914%0.138CC..  trans-80.564.5171.2-170.453.8-95.400111.8D104 Y106 R297 S303D104-E267 HydrophobicContact CB-CB 4.44Å; D104-E267 PolarHBondContact O-N 2.71Å; Y106-E267 HydrophobicContact CE2-CB 3.74Å; Y106-E267 HydrophobicContact CE2-CG 4.31Å; Y106-E267 WeakPolarHBondContact CE2-OE2 3.49Å; Y106-E267 PolarHBondContact OH-OE2 3.11Å; E267-R297 VanDerWaalsContact CG-CZ 3.41Å; E267-R297 IonicContact OE2-CZ 3.32Å; E267-R297 IonicContact OE2-NH1 3.25Å; E267-R297 PolarHBondContact OE2-NH1 3.11Å; E267-R297 VanDerWaalsContact OE2-NH1 3.13Å; E267-S303 VanDerWaalsContact CD-OG 3.26Å; E267-S303 VanDerWaalsContact OE1-CB 3.27Å; E267-S303 WeakPolarHBondContact OE1-CB 3.44Å; E267-S303 PolarHBondContact OE1-OG 2.97Å; E267-S303 PolarHBondContact OE2-N 3.35Å; E267-S303 PolarHBondContact OE2-OG 3.46Å
268Y98.2Very high97.9Very high61 Ų6129.4 Ų29.424%0.23915%0.15CC..  trans-101.54.7-179.1-67.6-18.1000114.5D104 F231 H266 E270 D271 N272D104-Y268 HydrophobicContact CB-CE1 4.23Å; F231-Y268 HydrophobicContact CD2-CD2 4.06Å; F231-Y268 HydrophobicContact CE1-CD2 4.47Å; F231-Y268 AromaticContact CE2-CD2 3.91Å; F231-Y268 HydrophobicContact CE2-CD2 3.91Å; F231-Y268 HydrophobicContact CE2-CE2 4.23Å; F231-Y268 HydrophobicContact CG-CD2 4.39Å; F231-Y268 HydrophobicContact CZ-CD2 4.12Å; F231-Y268 HydrophobicContact CZ-CE2 4.16Å; H266-Y268 VanDerWaalsContact C-N 3.27Å; H266-Y268 HydrophobicContact CB-CD1 3.86Å; H266-Y268 HydrophobicContact CB-CD2 3.63Å; H266-Y268 HydrophobicContact CB-CE1 3.77Å; H266-Y268 HydrophobicContact CB-CE2 3.56Å; H266-Y268 HydrophobicContact CB-CG 3.78Å; H266-Y268 AromaticContact CD2-CE2 3.96Å; H266-Y268 PolarHBondContact CE1-OH 3.43Å; H266-Y268 AromaticContact CG-CE2 3.62Å; H266-Y268 AromaticContact CG-CZ 3.54Å; H266-Y268 AromaticContact ND1-CE1 3.97Å; H266-Y268 AromaticContact ND1-CZ 3.49Å; H266-Y268 PolarHBondContact ND1-OH 3.22Å; H266-Y268 PolarHBondContact O-N 2.84Å; Y268-E270 PolarHBondContact O-N 3.4Å; Y268-D271 PolarHBondContact O-N 3.31Å; Y268-N272 WeakPolarHBondContact CB-ND2 3.3Å; Y268-N272 WeakPolarHBondContact O-CB 3.37Å; Y268-N272 PolarHBondContact O-N 2.73Å; Y268-N272 PolarHBondContact O-ND2 3.23Å
269A97.9Very high97.7Very high1 Ų125 Ų251%0.00813%0.127CC..Hα-helixtrans-51.8-49.3-170.200000113.2L232 D271 N272 L273 V293 S303L232-A269 HydrophobicContact CB-CB 4Å; L232-A269 HydrophobicContact CD1-CB 3.98Å; L232-A269 HydrophobicContact CD2-CB 3.92Å; L232-A269 HydrophobicContact CG-CB 4.18Å; A269-D271 PolarHBondContact O-N 3.37Å; A269-N272 PolarHBondContact O-N 2.89Å; A269-L273 WeakPolarHBondContact O-CB 3.24Å; A269-L273 WeakPolarHBondContact O-CD1 3.39Å; A269-L273 VanDerWaalsContact O-CG 3.29Å; A269-L273 WeakPolarHBondContact O-CG 3.4Å; A269-L273 PolarHBondContact O-N 3.32Å; A269-V293 HydrophobicContact CB-CG1 3.86Å; A269-V293 HydrophobicContact CB-CG2 3.98Å; A269-S303 WeakPolarHBondContact CB-OG 3.49Å
270E97.2Very high97.4Very high49 Ų4921.6 Ų21.623%0.22911%0.108CC..Hα-helixtrans-61.3-48.1-178.1-169.7-172.1130.800112.1Y268 N272 L273 L274 Y290 V293 L294 R359Y268-E270 PolarHBondContact O-N 3.4Å; E270-N272 VanDerWaalsContact C-N 3.33Å; E270-N272 PolarHBondContact O-N 3.19Å; E270-L273 PolarHBondContact O-N 3.15Å; E270-L274 WeakPolarHBondContact O-CB 3.48Å; E270-L274 WeakPolarHBondContact O-CG 3.32Å; E270-L274 PolarHBondContact O-N 3.4Å; E270-Y290 HydrophobicContact CG-CE2 4.09Å; E270-V293 HydrophobicContact CB-CG1 4.08Å; E270-L294 HydrophobicContact CG-CD2 4.07Å; E270-R359 IonicContact OE1-CZ 4Å; E270-R359 IonicContact OE1-NH1 3.43Å; E270-R359 PolarHBondContact OE1-NH1 3.42Å; E270-R359 IonicContact OE1-NH2 3.33Å; E270-R359 PolarHBondContact OE1-NH2 2.94Å
271D96.6Very high97.1Very high54 Ų5425.8 Ų25.829%0.28914%0.135SC..Hα-helixtrans-62.4-40.9176.8-94.1-57.6000112.8Y268 A269 F275 R359Y268-D271 PolarHBondContact O-N 3.31Å; A269-D271 PolarHBondContact O-N 3.37Å; D271-F275 PolarHBondContact O-N 3.49Å; D271-F275 VanDerWaalsContact O-N 3.08Å; D271-R359 WeakPolarHBondContact OD1-CG 3.48Å; D271-R359 IonicContact OD1-CZ 2.71Å; D271-R359 IonicContact OD1-NE 3.26Å; D271-R359 PolarHBondContact OD1-NE 2.99Å; D271-R359 IonicContact OD1-NH2 3.33Å; D271-R359 PolarHBondContact OD1-NH2 3.4Å; D271-R359 IonicContact OD2-CZ 2.97Å; D271-R359 IonicContact OD2-NE 2.76Å; D271-R359 PolarHBondContact OD2-NE 2.93Å; D271-R359 IonicContact OD2-NH2 3.45Å; D271-R359 PolarHBondContact OD2-NH2 3.37Å
272N98.4Very high96.9Very high2 Ų236 Ų361%0.01117%0.172CC..Hα-helixtrans-66.9-42.8-178.8-71.1-15.6000111.2F231 L232 S233 Y268 A269 E270 F275 A276 K354F231-N272 WeakPolarHBondContact CB-ND2 3.48Å; L232-N272 VanDerWaalsContact O-CB 3.24Å; L232-N272 WeakPolarHBondContact O-CB 3.46Å; L232-N272 PolarHBondContact O-ND2 2.81Å; S233-N272 WeakPolarHBondContact O-CB 3.14Å; Y268-N272 WeakPolarHBondContact CB-ND2 3.3Å; Y268-N272 WeakPolarHBondContact O-CB 3.37Å; Y268-N272 PolarHBondContact O-N 2.73Å; Y268-N272 PolarHBondContact O-ND2 3.23Å; A269-N272 PolarHBondContact O-N 2.89Å; E270-N272 VanDerWaalsContact C-N 3.33Å; E270-N272 PolarHBondContact O-N 3.19Å; N272-F275 PolarHBondContact O-N 3.16Å; N272-A276 WeakPolarHBondContact O-CB 3.36Å; N272-A276 PolarHBondContact O-N 3.48Å; N272-K354 PolarHBondContact OD1-NZ 3.16Å
273L98.3Very high96.7Very high0 Ų037.2 Ų37.20%018%0.178CC..Hα-helixtrans-70.5-35.7178.3-73.9160.7000112.1L232 S233 A269 E270 A276 A277 R286 K289 Y290 V293 Y314L232-L273 HydrophobicContact CD2-CD1 3.97Å; L232-L273 HydrophobicContact CD2-CG 4.43Å; S233-L273 WeakPolarHBondContact OG-CD2 3.37Å; A269-L273 WeakPolarHBondContact O-CB 3.24Å; A269-L273 WeakPolarHBondContact O-CD1 3.39Å; A269-L273 VanDerWaalsContact O-CG 3.29Å; A269-L273 WeakPolarHBondContact O-CG 3.4Å; A269-L273 PolarHBondContact O-N 3.32Å; E270-L273 PolarHBondContact O-N 3.15Å; L273-A276 PolarHBondContact O-N 3.42Å; L273-A277 PolarHBondContact O-N 3.17Å; L273-R286 HydrophobicContact CD2-CG 3.82Å; L273-K289 HydrophobicContact CD1-CG 4.19Å; L273-K289 HydrophobicContact CD2-CB 4.24Å; L273-K289 HydrophobicContact CD2-CG 4.37Å; L273-Y290 HydrophobicContact CB-CD2 3.73Å; L273-Y290 HydrophobicContact CB-CG 4.36Å; L273-Y290 HydrophobicContact CD1-CD2 4.41Å; L273-V293 HydrophobicContact CD1-CB 4.04Å; L273-V293 HydrophobicContact CD1-CG1 4.46Å; L273-V293 HydrophobicContact CD1-CG2 3.6Å; L273-Y314 HydrophobicContact CD2-CD2 4.24Å
274L97.2Very high96.6Very high46 Ų4640.6 Ų40.624%0.24121%0.207CC..Hα-helixtrans-60.4-45.4170.8-79.5173000111.7E270 A277 Y290 F357 R359E270-L274 WeakPolarHBondContact O-CB 3.48Å; E270-L274 WeakPolarHBondContact O-CG 3.32Å; E270-L274 PolarHBondContact O-N 3.4Å; L274-A277 VanDerWaalsContact O-CB 3.28Å; L274-A277 WeakPolarHBondContact O-CB 3.4Å; L274-A277 PolarHBondContact O-N 3.33Å; L274-Y290 HydrophobicContact CD2-CE2 4.06Å; L274-Y290 WeakPolarHBondContact CD2-OH 3.37Å; L274-Y290 HydrophobicContact CG-CE2 3.94Å; L274-F357 HydrophobicContact CB-CE1 4.23Å; L274-F357 HydrophobicContact CB-CZ 4.11Å; L274-R359 HydrophobicContact CD1-CG 4.41Å
275F97.9Very high96.6Very high3 Ų342 Ų421%0.01322%0.218CC..Hα-helixtrans-64.8-41.6173.3169.6-101.3000112.5D271 N272 A277 E278 V279 P316 F317 L350 R353 K354 F357D271-F275 PolarHBondContact O-N 3.49Å; D271-F275 VanDerWaalsContact O-N 3.08Å; N272-F275 PolarHBondContact O-N 3.16Å; F275-A277 PolarHBondContact O-N 2.84Å; F275-A277 VanDerWaalsContact O-N 3.14Å; F275-E278 WeakPolarHBondContact O-CB 3.29Å; F275-E278 PolarHBondContact O-N 2.88Å; F275-V279 HydrophobicContact CE1-CG1 4.3Å; F275-V279 HydrophobicContact CE1-CG2 4.37Å; F275-V279 HydrophobicContact CE2-CG1 4.18Å; F275-V279 HydrophobicContact CZ-CG1 3.84Å; F275-V279 PolarHBondContact O-N 3.46Å; F275-P316 HydrophobicContact CD1-CG 4.4Å; F275-P316 HydrophobicContact CE1-CG 4.25Å; F275-F317 HydrophobicContact CD1-CE2 4.42Å; F275-F317 HydrophobicContact CE1-CE2 4.14Å; F275-F317 AromaticContact CE1-CZ 3.94Å; F275-F317 HydrophobicContact CE1-CZ 3.94Å; F275-L350 HydrophobicContact CE1-CD2 4.43Å; F275-L350 HydrophobicContact CZ-CD2 4.38Å; F275-L350 WeakPolarHBondContact CZ-O 3.4Å; F275-R353 HydrophobicContact CE2-CB 3.81Å; F275-R353 HydrophobicContact CZ-CB 4.07Å; F275-K354 HydrophobicContact CB-CD 3.4Å; F275-K354 VanDerWaalsContact CB-CD 3.4Å; F275-K354 HydrophobicContact CD1-CB 4.24Å; F275-K354 HydrophobicContact CD1-CD 3.23Å; F275-K354 HydrophobicContact CD1-CG 4.25Å; F275-K354 HydrophobicContact CD2-CB 4.15Å; F275-K354 HydrophobicContact CD2-CD 3.63Å; F275-K354 HydrophobicContact CD2-CG 4.48Å; F275-K354 HydrophobicContact CE1-CB 3.9Å; F275-K354 HydrophobicContact CE1-CD 3.79Å; F275-K354 HydrophobicContact CE1-CG 4.36Å; F275-K354 VanDerWaalsContact CE2-CA 3.48Å; F275-K354 HydrophobicContact CE2-CB 3.83Å; F275-K354 HydrophobicContact CE2-CD 4.17Å; F275-K354 VanDerWaalsContact CE2-N 3.33Å; F275-K354 HydrophobicContact CG-CB 4.32Å; F275-K354 HydrophobicContact CG-CD 3.1Å; F275-K354 HydrophobicContact CG-CG 4.27Å; F275-K354 HydrophobicContact CZ-CB 3.68Å; F275-K354 HydrophobicContact CZ-CD 4.22Å; F275-F357 HydrophobicContact CB-CD1 3.95Å; F275-F357 HydrophobicContact CB-CE1 4.07Å; F275-F357 HydrophobicContact CB-CG 4.25Å; F275-F357 HydrophobicContact CB-CZ 4.49Å; F275-F357 HydrophobicContact CD2-CB 3.91Å; F275-F357 HydrophobicContact CD2-CD1 4.42Å; F275-F357 HydrophobicContact CD2-CD2 4.15Å; F275-F357 AromaticContact CD2-CG 3.9Å; F275-F357 HydrophobicContact CD2-CG 3.9Å
276A97.4Very high96.5Very high0 Ų042.6 Ų42.60%022%0.22CC..Hα-helixtrans-58-28177.400000111.4N272 L273 V279 E280 R286 P316N272-A276 WeakPolarHBondContact O-CB 3.36Å; N272-A276 PolarHBondContact O-N 3.48Å; L273-A276 PolarHBondContact O-N 3.42Å; A276-V279 WeakPolarHBondContact O-CG2 3.36Å; A276-V279 PolarHBondContact O-N 2.9Å; A276-E280 PolarHBondContact O-N 3.2Å; A276-R286 HydrophobicContact CB-CG 3.8Å; A276-P316 HydrophobicContact CB-CG 4.19Å
277A96.3Very high96.5Very high27 Ų2746 Ų4622%0.22324%0.236CC..Hα-helixtrans-67.6-33173.200000114.7L273 L274 F275 V279 P281 R286L273-A277 PolarHBondContact O-N 3.17Å; L274-A277 VanDerWaalsContact O-CB 3.28Å; L274-A277 WeakPolarHBondContact O-CB 3.4Å; L274-A277 PolarHBondContact O-N 3.33Å; F275-A277 PolarHBondContact O-N 2.84Å; F275-A277 VanDerWaalsContact O-N 3.14Å; A277-V279 VanDerWaalsContact C-N 3.31Å; A277-P281 VanDerWaalsContact O-CA 3.24Å; A277-P281 WeakPolarHBondContact O-CA 3.41Å; A277-P281 WeakPolarHBondContact O-CB 3.47Å; A277-R286 VanDerWaalsContact CB-NH1 3.25Å
278E94.1Very high96.5Very high139 Ų13949 Ų4965%0.6526%0.259SS*.Hα-helixtrans-67.7-33.5176.7-65.4-73.317000111.8F275 F357F275-E278 WeakPolarHBondContact O-CB 3.29Å; F275-E278 PolarHBondContact O-N 2.88Å; E278-F357 HydrophobicContact CG-CD2 4.03Å; E278-F357 HydrophobicContact CG-CE2 3.53Å; E278-F357 HydrophobicContact CG-CZ 4.41Å
279V94.4Very high96.5Very high3 Ų346.9 Ų46.92%0.01825%0.252CS..Hα-helixtrans-95.8-33.8-177-62.90000113.1F275 A276 A277 P316 L325 A328 L329 L350F275-V279 HydrophobicContact CE1-CG1 4.3Å; F275-V279 HydrophobicContact CE1-CG2 4.37Å; F275-V279 HydrophobicContact CE2-CG1 4.18Å; F275-V279 HydrophobicContact CZ-CG1 3.84Å; F275-V279 PolarHBondContact O-N 3.46Å; A276-V279 WeakPolarHBondContact O-CG2 3.36Å; A276-V279 PolarHBondContact O-N 2.9Å; A277-V279 VanDerWaalsContact C-N 3.31Å; V279-P316 HydrophobicContact CG2-CB 3.94Å; V279-P316 HydrophobicContact CG2-CG 4.24Å; V279-L325 HydrophobicContact CB-CD1 4.21Å; V279-L325 HydrophobicContact CG2-CD1 4.24Å; V279-A328 WeakPolarHBondContact O-CB 3.05Å; V279-L329 HydrophobicContact CG1-CD2 3.99Å; V279-L350 HydrophobicContact CB-CD2 4.41Å; V279-L350 HydrophobicContact CG1-CD2 4.06Å; V279-L350 HydrophobicContact CG2-CD2 4.39Å
280E93.1Very high96.6Very high12 Ų1248.7 Ų48.76%0.05626%0.258CS..  trans-131.470179.2-65.8-177.9104.600110A276 R282 N283 R286 R319 L325A276-E280 PolarHBondContact O-N 3.2Å; E280-R282 PolarHBondContact O-N 3.19Å; E280-R282 VanDerWaalsContact O-N 3.13Å; E280-N283 HydrophobicContact CB-CB 3.98Å; E280-N283 PolarHBondContact O-N 2.93Å; E280-R286 PolarHBondContact O-NH2 3.01Å; E280-R286 VanDerWaalsContact O-NH2 3.07Å; E280-R319 IonicContact OE1-CZ 3.47Å; E280-R319 VanDerWaalsContact OE1-CZ 3.32Å; E280-R319 IonicContact OE1-NE 3.24Å; E280-R319 PolarHBondContact OE1-NE 3.01Å; E280-R319 IonicContact OE1-NH2 3.38Å; E280-R319 PolarHBondContact OE1-NH2 2.81Å; E280-R319 IonicContact OE2-NE 3.74Å; E280-R319 PolarHBondContact OE2-NE 2.86Å; E280-L325 HydrophobicContact CG-CD1 3.7Å
281P91.9Very high96.6Very high90 Ų9051.2 Ų51.258%0.58427%0.27SS*.THydrogen-bonded Turntrans-64.2-22.1-173.122.6-33.4000113.8A277 R286A277-P281 VanDerWaalsContact O-CA 3.24Å; A277-P281 WeakPolarHBondContact O-CA 3.41Å; A277-P281 WeakPolarHBondContact O-CB 3.47Å; P281-R286 PolarHBondContact O-NH2 3.35Å; P281-R286 VanDerWaalsContact O-NH2 3.15Å
282R93.4Very high96.7Very high242 Ų24252.8 Ų52.891%0.91327%0.272SS*.THydrogen-bonded Turntrans-1015.9-177.5-52.3-174.2-151.4174.27.4114.1E280 A284E280-R282 PolarHBondContact O-N 3.19Å; E280-R282 VanDerWaalsContact O-N 3.13Å; R282-A284 PolarHBondContact O-N 3.24Å; R282-A284 VanDerWaalsContact O-N 3.16Å
283N96.2Very high96.7Very high24 Ų2452.7 Ų52.713%0.12827%0.271CS..  trans-74.9104.7179-175.7-25.2000110.3E280 A285 R286 E287 Q313E280-N283 HydrophobicContact CB-CB 3.98Å; E280-N283 PolarHBondContact O-N 2.93Å; N283-A285 WeakPolarHBondContact OD1-CB 3.3Å; N283-A285 PolarHBondContact OD1-N 3.03Å; N283-A285 VanDerWaalsContact OD1-N 3.11Å; N283-R286 HydrophobicContact CB-CB 3.9Å; N283-R286 WeakPolarHBondContact O-CB 3.43Å; N283-R286 PolarHBondContact O-N 3.1Å; N283-R286 PolarHBondContact OD1-N 2.84Å; N283-R286 VanDerWaalsContact OD1-N 3.11Å; N283-E287 PolarHBondContact O-N 3.41Å; N283-E287 VanDerWaalsContact O-N 3.15Å; N283-Q313 PolarHBondContact ND2-O 2.74Å
284A97.1Very high96.7Very high73 Ų7355.4 Ų55.460%0.60329%0.286SS*.Hα-helixtrans-65.5-37.3-177.900000113R282 R286 E287 S288R282-A284 PolarHBondContact O-N 3.24Å; R282-A284 VanDerWaalsContact O-N 3.16Å; A284-R286 VanDerWaalsContact C-N 3.28Å; A284-R286 PolarHBondContact O-N 3.44Å; A284-E287 PolarHBondContact O-N 3.15Å; A284-S288 PolarHBondContact O-N 3.13Å; A284-S288 PolarHBondContact O-OG 3.25Å
285A97.8Very high96.8Very high31 Ų3158.7 Ų58.726%0.25630%0.3SS..Hα-helixtrans-61.7-40.1176.800000111.1N283 K289 Q313N283-A285 WeakPolarHBondContact OD1-CB 3.3Å; N283-A285 PolarHBondContact OD1-N 3.03Å; N283-A285 VanDerWaalsContact OD1-N 3.11Å; A285-K289 WeakPolarHBondContact O-CB 3.45Å; A285-K289 PolarHBondContact O-N 3.22Å; A285-Q313 HydrophobicContact CB-CB 3.91Å
286R97.4Very high96.8Very high13 Ų1360 Ų605%0.04931%0.306CS..Hα-helixtrans-61.4-45.9173.9-170.8-87.9-66.9155.310.3111.8L273 A276 A277 E280 P281 N283 A284 K289 Y290L273-R286 HydrophobicContact CD2-CG 3.82Å; A276-R286 HydrophobicContact CB-CG 3.8Å; A277-R286 VanDerWaalsContact CB-NH1 3.25Å; E280-R286 PolarHBondContact O-NH2 3.01Å; E280-R286 VanDerWaalsContact O-NH2 3.07Å; P281-R286 PolarHBondContact O-NH2 3.35Å; P281-R286 VanDerWaalsContact O-NH2 3.15Å; N283-R286 HydrophobicContact CB-CB 3.9Å; N283-R286 WeakPolarHBondContact O-CB 3.43Å; N283-R286 PolarHBondContact O-N 3.1Å; N283-R286 PolarHBondContact OD1-N 2.84Å; N283-R286 VanDerWaalsContact OD1-N 3.11Å; A284-R286 VanDerWaalsContact C-N 3.28Å; A284-R286 PolarHBondContact O-N 3.44Å; R286-K289 PolarHBondContact O-N 3.01Å; R286-Y290 WeakPolarHBondContact O-CB 3.5Å; R286-Y290 PolarHBondContact O-N 3.01Å
287E98Very high96.7Very high76 Ų7662.4 Ų62.436%0.35532%0.315SS..Hα-helixtrans-64.4-45.4179.5-172.256.1-144.500111.9N283 A284 K289 Y290 Q291N283-E287 PolarHBondContact O-N 3.41Å; N283-E287 VanDerWaalsContact O-N 3.15Å; A284-E287 PolarHBondContact O-N 3.15Å; E287-K289 VanDerWaalsContact C-N 3.32Å; E287-K289 PolarHBondContact O-N 2.95Å; E287-Y290 WeakPolarHBondContact O-CB 3.48Å; E287-Y290 PolarHBondContact O-N 3.24Å; E287-Y290 VanDerWaalsContact O-N 3.16Å; E287-Q291 WeakPolarHBondContact O-CG 3.38Å; E287-Q291 PolarHBondContact O-N 3.49Å; E287-Q291 PolarHBondContact OE1-NE2 3.22Å
288S98.3Very high96.8Very high83 Ų8364.4 Ų64.458%0.5834%0.339SS*.Hα-helixtrans-58.6-43.8174.8-62.10000111.9A284 Y290 Q291 W292A284-S288 PolarHBondContact O-N 3.13Å; A284-S288 PolarHBondContact O-OG 3.25Å; S288-Y290 VanDerWaalsContact C-N 3.35Å; S288-Y290 PolarHBondContact O-N 3.15Å; S288-Q291 PolarHBondContact O-N 3.41Å; S288-W292 PolarHBondContact O-N 3.22Å; S288-W292 VanDerWaalsContact O-N 3.15Å
289K98.6Very high96.9Very high17 Ų1763.3 Ų63.37%0.07433%0.334CS..Hα-helixtrans-65.1-38.6176.5-166.269.3172.3-171.60111.8L232 L273 A285 R286 E287 W292 V293 E310 Y314L232-K289 HydrophobicContact CD2-CG 4.12Å; L273-K289 HydrophobicContact CD1-CG 4.19Å; L273-K289 HydrophobicContact CD2-CB 4.24Å; L273-K289 HydrophobicContact CD2-CG 4.37Å; A285-K289 WeakPolarHBondContact O-CB 3.45Å; A285-K289 PolarHBondContact O-N 3.22Å; R286-K289 PolarHBondContact O-N 3.01Å; E287-K289 VanDerWaalsContact C-N 3.32Å; E287-K289 PolarHBondContact O-N 2.95Å; K289-W292 HydrophobicContact CD-CE3 4.31Å; K289-W292 PolarHBondContact O-N 2.74Å; K289-V293 HydrophobicContact CG-CG2 4.49Å; K289-V293 WeakPolarHBondContact O-CG2 3.36Å; K289-V293 PolarHBondContact O-N 2.68Å; K289-E310 IonicContact NZ-OE1 2.97Å; K289-E310 PolarHBondContact NZ-OE1 3.47Å; K289-E310 IonicContact NZ-OE2 3.29Å; K289-Y314 HydrophobicContact CB-CD1 3.96Å; K289-Y314 HydrophobicContact CB-CE1 3.86Å; K289-Y314 HydrophobicContact CD-CE1 3.83Å; K289-Y314 VanDerWaalsContact CE-OH 3.29Å; K289-Y314 WeakPolarHBondContact CE-OH 3.27Å; K289-Y314 HydrophobicContact CG-CD1 4.2Å; K289-Y314 HydrophobicContact CG-CE1 3.62Å; K289-Y314 HydrophobicContact CG-CE2 4.28Å
290Y98.5Very high96.9Very high39 Ų3970 Ų7015%0.15336%0.362CS..Hα-helixtrans-61.4-46.5176.5-177.3-118.9000112.9E270 L273 L274 R286 E287 S288 W292 V293 L294E270-Y290 HydrophobicContact CG-CE2 4.09Å; L273-Y290 HydrophobicContact CB-CD2 3.73Å; L273-Y290 HydrophobicContact CB-CG 4.36Å; L273-Y290 HydrophobicContact CD1-CD2 4.41Å; L274-Y290 HydrophobicContact CD2-CE2 4.06Å; L274-Y290 WeakPolarHBondContact CD2-OH 3.37Å; L274-Y290 HydrophobicContact CG-CE2 3.94Å; R286-Y290 WeakPolarHBondContact O-CB 3.5Å; R286-Y290 PolarHBondContact O-N 3.01Å; E287-Y290 WeakPolarHBondContact O-CB 3.48Å; E287-Y290 PolarHBondContact O-N 3.24Å; E287-Y290 VanDerWaalsContact O-N 3.16Å; S288-Y290 VanDerWaalsContact C-N 3.35Å; S288-Y290 PolarHBondContact O-N 3.15Å; Y290-W292 VanDerWaalsContact C-N 3.31Å; Y290-W292 PolarHBondContact O-N 2.97Å; Y290-V293 PolarHBondContact O-N 2.92Å; Y290-L294 HydrophobicContact CD1-CD1 4.16Å; Y290-L294 HydrophobicContact CD2-CG 4.39Å; Y290-L294 HydrophobicContact CE1-CD1 3.61Å; Y290-L294 HydrophobicContact CE1-CG 4.18Å; Y290-L294 HydrophobicContact CE2-CD1 4.31Å; Y290-L294 HydrophobicContact CE2-CD2 3.97Å; Y290-L294 HydrophobicContact CE2-CG 4Å; Y290-L294 WeakPolarHBondContact O-CG 3.37Å; Y290-L294 PolarHBondContact O-N 3.31Å
291Q98.4Very high97.1Very high101 Ų10170.8 Ų70.847%0.47237%0.367SS..Hα-helixtrans-61-41.4175.8-63.2-55.7-35.900112E287 S288 L294 Q295E287-Q291 WeakPolarHBondContact O-CG 3.38Å; E287-Q291 PolarHBondContact O-N 3.49Å; E287-Q291 PolarHBondContact OE1-NE2 3.22Å; S288-Q291 PolarHBondContact O-N 3.41Å; Q291-L294 PolarHBondContact O-N 3.4Å; Q291-Q295 PolarHBondContact O-N 2.9Å; Q291-Q295 VanDerWaalsContact O-N 3.1Å
292W98.5Very high97.4Very high87 Ų8767.2 Ų67.233%0.3334%0.344SS..Hα-helixtrans-61.9-45.8174.4179.488.7000112S288 K289 Y290 L294 Q295 Q296 S303S288-W292 PolarHBondContact O-N 3.22Å; S288-W292 VanDerWaalsContact O-N 3.15Å; K289-W292 HydrophobicContact CD-CE3 4.31Å; K289-W292 PolarHBondContact O-N 2.74Å; Y290-W292 VanDerWaalsContact C-N 3.31Å; Y290-W292 PolarHBondContact O-N 2.97Å; W292-L294 PolarHBondContact O-N 3.33Å; W292-Q295 WeakPolarHBondContact O-CB 3.18Å; W292-Q295 PolarHBondContact O-N 3.5Å; W292-Q296 HydrophobicContact CD2-CG 3.89Å; W292-Q296 HydrophobicContact CE3-CG 3.99Å; W292-Q296 HydrophobicContact CH2-CG 3.67Å; W292-Q296 HydrophobicContact CZ2-CG 3.53Å; W292-Q296 HydrophobicContact CZ3-CG 3.89Å; W292-Q296 WeakPolarHBondContact O-CG 3.47Å; W292-Q296 PolarHBondContact O-N 3.34Å; W292-S303 WeakPolarHBondContact CH2-O 3.42Å; W292-S303 WeakPolarHBondContact CZ3-O 3.4Å
293V98.4Very high97.5Very high0 Ų055.7 Ų55.70%030%0.301CS..Hα-helixtrans-61.4-44.5177.71690000110.8L232 A269 E270 L273 K289 Y290 Q295 Q296 R297L232-V293 HydrophobicContact CD2-CG2 4.48Å; A269-V293 HydrophobicContact CB-CG1 3.86Å; A269-V293 HydrophobicContact CB-CG2 3.98Å; E270-V293 HydrophobicContact CB-CG1 4.08Å; L273-V293 HydrophobicContact CD1-CB 4.04Å; L273-V293 HydrophobicContact CD1-CG1 4.46Å; L273-V293 HydrophobicContact CD1-CG2 3.6Å; K289-V293 HydrophobicContact CG-CG2 4.49Å; K289-V293 WeakPolarHBondContact O-CG2 3.36Å; K289-V293 PolarHBondContact O-N 2.68Å; Y290-V293 PolarHBondContact O-N 2.92Å; V293-Q295 VanDerWaalsContact C-N 3.27Å; V293-Q295 PolarHBondContact O-N 3.34Å; V293-Q296 PolarHBondContact O-N 3.19Å; V293-Q296 VanDerWaalsContact O-N 3.17Å; V293-R297 HydrophobicContact CG1-CG 3.9Å; V293-R297 WeakPolarHBondContact O-CB 3.41Å; V293-R297 VanDerWaalsContact O-CG 3.3Å; V293-R297 WeakPolarHBondContact O-CG 3.43Å; V293-R297 PolarHBondContact O-N 3.05Å
294L98.2Very high97.5Very high57 Ų5755.2 Ų55.230%0.29830%0.299SS..Hα-helixtrans-58.1-40.3176.1-71.9-176.9000112.1E270 Y290 Q291 W292 G298E270-L294 HydrophobicContact CG-CD2 4.07Å; Y290-L294 HydrophobicContact CD1-CD1 4.16Å; Y290-L294 HydrophobicContact CD2-CG 4.39Å; Y290-L294 HydrophobicContact CE1-CD1 3.61Å; Y290-L294 HydrophobicContact CE1-CG 4.18Å; Y290-L294 HydrophobicContact CE2-CD1 4.31Å; Y290-L294 HydrophobicContact CE2-CD2 3.97Å; Y290-L294 HydrophobicContact CE2-CG 4Å; Y290-L294 WeakPolarHBondContact O-CG 3.37Å; Y290-L294 PolarHBondContact O-N 3.31Å; Q291-L294 PolarHBondContact O-N 3.4Å; W292-L294 PolarHBondContact O-N 3.33Å; L294-G298 PolarHBondContact O-N 3.45Å
295Q98Very high97.5Very high115 Ų11553.5 Ų53.554%0.53728%0.281SS..Hα-helixtrans-63.7-46.1175.6-171.9-176.120.900111.9Q291 W292 V293 Q299Q291-Q295 PolarHBondContact O-N 2.9Å; Q291-Q295 VanDerWaalsContact O-N 3.1Å; W292-Q295 WeakPolarHBondContact O-CB 3.18Å; W292-Q295 PolarHBondContact O-N 3.5Å; V293-Q295 VanDerWaalsContact C-N 3.27Å; V293-Q295 PolarHBondContact O-N 3.34Å; Q295-Q299 PolarHBondContact O-N 2.95Å
296Q97.9Very high97.5Very high31 Ų3152.1 Ų52.115%0.14527%0.27CS..Hα-helixtrans-61.7-50.5177.4-61.9-44.1-61.200110.8W292 V293 G298 Q299 K300 L301W292-Q296 HydrophobicContact CD2-CG 3.89Å; W292-Q296 HydrophobicContact CE3-CG 3.99Å; W292-Q296 HydrophobicContact CH2-CG 3.67Å; W292-Q296 HydrophobicContact CZ2-CG 3.53Å; W292-Q296 HydrophobicContact CZ3-CG 3.89Å; W292-Q296 WeakPolarHBondContact O-CG 3.47Å; W292-Q296 PolarHBondContact O-N 3.34Å; V293-Q296 PolarHBondContact O-N 3.19Å; V293-Q296 VanDerWaalsContact O-N 3.17Å; Q296-G298 VanDerWaalsContact C-N 3.34Å; Q296-G298 PolarHBondContact O-N 2.95Å; Q296-Q299 CarbonylContact O-C 3.5Å; Q296-Q299 WeakPolarHBondContact O-CA 3.31Å; Q296-Q299 PolarHBondContact O-N 2.69Å; Q296-K300 PolarHBondContact O-N 2.85Å; Q296-K300 VanDerWaalsContact O-N 3.15Å; Q296-L301 HydrophobicContact CB-CB 4.14Å; Q296-L301 WeakPolarHBondContact O-CB 3.4Å; Q296-L301 PolarHBondContact O-N 3.42Å
297R96.9Very high97.6Very high50 Ų5053 Ų5319%0.18928%0.277CS..Hα-helixtrans-67.7-32.5-177-62-42.8-57.9169.4-5.2112.8H83 S84 E267 V293 Q299 K300 L301H83-R297 PolarHBondContact O-NH2 3.23Å; S84-R297 PolarHBondContact OG-NH1 3.31Å; S84-R297 PolarHBondContact OG-NH2 3.49Å; E267-R297 VanDerWaalsContact CG-CZ 3.41Å; E267-R297 IonicContact OE2-CZ 3.32Å; E267-R297 IonicContact OE2-NH1 3.25Å; E267-R297 PolarHBondContact OE2-NH1 3.11Å; E267-R297 VanDerWaalsContact OE2-NH1 3.13Å; V293-R297 HydrophobicContact CG1-CG 3.9Å; V293-R297 WeakPolarHBondContact O-CB 3.41Å; V293-R297 VanDerWaalsContact O-CG 3.3Å; V293-R297 WeakPolarHBondContact O-CG 3.43Å; V293-R297 PolarHBondContact O-N 3.05Å; R297-Q299 PolarHBondContact O-N 3.44Å; R297-K300 WeakPolarHBondContact O-CA 3.45Å; R297-K300 PolarHBondContact O-N 3.45Å; R297-L301 PolarHBondContact NH1-O 3.31Å
298G96.8Very high97.6Very high70 Ų7049.4 Ų49.472%0.72226%0.26SS*.Hα-helixtrans-59.3-28171.200000113.3L294 Q296L294-G298 PolarHBondContact O-N 3.45Å; Q296-G298 VanDerWaalsContact C-N 3.34Å; Q296-G298 PolarHBondContact O-N 2.95Å
299Q96.4Very high97.7Very high116 Ų11646.1 Ų46.154%0.54224%0.239SC..THydrogen-bonded Turntrans-99.47.7174.3-62.217746.400113Q295 Q296 R297 L301Q295-Q299 PolarHBondContact O-N 2.95Å; Q296-Q299 CarbonylContact O-C 3.5Å; Q296-Q299 WeakPolarHBondContact O-CA 3.31Å; Q296-Q299 PolarHBondContact O-N 2.69Å; R297-Q299 PolarHBondContact O-N 3.44Å; Q299-L301 HydrophobicContact CB-CD1 3.93Å; Q299-L301 HydrophobicContact CB-CG 3.86Å; Q299-L301 PolarHBondContact O-N 3.33Å
300K96Very high97.7Very high143 Ų14348.1 Ų48.162%0.62225%0.249SC*.THydrogen-bonded Turntrans5724.5-172.6-54-179.6179.7177.50114S84 T85 Q296 R297S84-K300 CarbonylContact C-O 3.51Å; S84-K300 VanDerWaalsContact CA-O 3.24Å; S84-K300 WeakPolarHBondContact CA-O 3.41Å; T85-K300 PolarHBondContact N-O 3.31Å; Q296-K300 PolarHBondContact O-N 2.85Å; Q296-K300 VanDerWaalsContact O-N 3.15Å; R297-K300 WeakPolarHBondContact O-CA 3.45Å; R297-K300 PolarHBondContact O-N 3.45Å
301L97.3Very high97.7Very high28 Ų2846.2 Ų46.215%0.14724%0.241CC..BIsolated β-bridgetrans-80.4143.9177.9-63.1172.6000111T85 Q296 R297 Q299T85-L301 HydrophobicContact CG2-CD2 4.2Å; Q296-L301 HydrophobicContact CB-CB 4.14Å; Q296-L301 WeakPolarHBondContact O-CB 3.4Å; Q296-L301 PolarHBondContact O-N 3.42Å; R297-L301 PolarHBondContact NH1-O 3.31Å; Q299-L301 HydrophobicContact CB-CD1 3.93Å; Q299-L301 HydrophobicContact CB-CG 3.86Å; Q299-L301 PolarHBondContact O-N 3.33Å
302C96.7Very high97.7Very high15 Ų1544.2 Ų44.210%0.10123%0.231CC..  trans-54.7134.6170.3-176.80000111.4T85 T86 Y106 S304T85-C302 PolarHBondContact O-N 2.95Å; T86-C302 HydrophobicContact CG2-CB 4.1Å; Y106-C302 HydrophobicContact CE1-CB 4.41Å; Y106-C302 WeakPolarHBondContact OH-CA 3.29Å; Y106-C302 WeakPolarHBondContact OH-CB 3.42Å; Y106-C302 PolarHBondContact OH-SG 3.42Å; Y106-C302 VanDerWaalsContact OH-SG 3.34Å; C302-S304 VanDerWaalsContact C-N 3.32Å; C302-S304 PolarHBondContact SG-N 3.49Å; C302-S304 VanDerWaalsContact SG-N 3.35Å
303S96.9Very high97.7Very high1 Ų145.4 Ų45.41%0.00724%0.24CC..  trans-86.9-2.4176.270.70000114L232 E267 A269 W292L232-S303 WeakPolarHBondContact CD1-O 3.42Å; E267-S303 VanDerWaalsContact CD-OG 3.26Å; E267-S303 VanDerWaalsContact OE1-CB 3.27Å; E267-S303 WeakPolarHBondContact OE1-CB 3.44Å; E267-S303 PolarHBondContact OE1-OG 2.97Å; E267-S303 PolarHBondContact OE2-N 3.35Å; E267-S303 PolarHBondContact OE2-OG 3.46Å; A269-S303 WeakPolarHBondContact CB-OG 3.49Å; W292-S303 WeakPolarHBondContact CH2-O 3.42Å; W292-S303 WeakPolarHBondContact CZ3-O 3.4Å
304S95.4Very high97.6Very high14 Ų1445.6 Ų45.610%0.09824%0.241CC..  trans-103.4150.3-179.6-56.50000111.8P264 C302P264-S304 VanDerWaalsContact CD-OG 3.25Å; P264-S304 WeakPolarHBondContact CD-OG 3.38Å; P264-S304 VanDerWaalsContact CG-OG 3.31Å; P264-S304 WeakPolarHBondContact CG-OG 3.43Å; C302-S304 VanDerWaalsContact C-N 3.32Å; C302-S304 PolarHBondContact SG-N 3.49Å; C302-S304 VanDerWaalsContact SG-N 3.35Å
305P97.6Very high97.6Very high36 Ų3642.9 Ų42.923%0.23423%0.227CC..  cis-83.9158.71.434.6-32.6000113.2L261 L262 W263L261-P305 HydrophobicContact CB-CB 4.26Å; L262-P305 VanDerWaalsContact O-CA 3.25Å; L262-P305 WeakPolarHBondContact O-CA 3.23Å; L262-P305 VanDerWaalsContact O-CB 3.31Å; L262-P305 WeakPolarHBondContact O-CB 3.41Å; W263-P305 HydrophobicContact CD2-CB 3.87Å; W263-P305 HydrophobicContact CE3-CB 3.89Å; W263-P305 HydrophobicContact CE3-CG 4.39Å; W263-P305 HydrophobicContact CH2-CB 3.93Å; W263-P305 VanDerWaalsContact CH2-CD 3.46Å; W263-P305 HydrophobicContact CH2-CG 3.54Å; W263-P305 HydrophobicContact CZ2-CB 3.85Å; W263-P305 HydrophobicContact CZ2-CG 3.64Å; W263-P305 HydrophobicContact CZ3-CB 3.91Å; W263-P305 VanDerWaalsContact CZ3-CD 3.5Å; W263-P305 HydrophobicContact CZ3-CG 3.9Å
306S97.9Very high97.6Very high2 Ų237.4 Ų37.41%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-102-172.3154.161.50000109.6L261 L262 E311L261-S306 CarbonylContact C-O 3.6Å; L261-S306 WeakPolarHBondContact CA-O 3.27Å; L262-S306 PolarHBondContact N-O 2.77Å; L262-S306 PolarHBondContact O-N 2.62Å; S306-E311 WeakPolarHBondContact CB-OE1 3.01Å; S306-E311 PolarHBondContact OG-OE1 2.84Å
307T98.7Very high97.7Very high33 Ų3336 Ų3620%0.20219%0.194CC..EExtended strand (participates in β ladder)trans-115.3153.7170.762.20000112D258 T260 L261 G309 E310 E311D258-T307 WeakPolarHBondContact O-CB 3.47Å; T260-T307 CarbonylContact O-C 3.52Å; T260-T307 VanDerWaalsContact O-CA 3.29Å; T260-T307 WeakPolarHBondContact O-CA 3.28Å; L261-T307 HydrophobicContact CD2-CG2 4.11Å; T307-G309 PolarHBondContact O-N 3.45Å; T307-E310 PolarHBondContact N-OE2 3.14Å; T307-E310 WeakPolarHBondContact O-CB 3.44Å; T307-E310 PolarHBondContact O-N 3.26Å; T307-E310 WeakPolarHBondContact OG1-CB 3.36Å; T307-E310 VanDerWaalsContact OG1-CG 3.23Å; T307-E310 WeakPolarHBondContact OG1-CG 3.4Å; T307-E310 PolarHBondContact OG1-N 2.87Å; T307-E310 PolarHBondContact OG1-OE2 3.25Å; T307-E311 WeakPolarHBondContact O-CG 3.41Å; T307-E311 PolarHBondContact O-N 2.96Å
308I98.8Very high97.7Very high0 Ų034.1 Ų34.10%019%0.188CC..Hα-helixtrans-59.3-35.9175-64.7-54.2000111.5L224 V253 L256 T260 L262 E311 K312L224-I308 HydrophobicContact CD2-CD1 4.17Å; V253-I308 HydrophobicContact CG1-CD1 3.61Å; L256-I308 HydrophobicContact CB-CG1 4.41Å; L256-I308 HydrophobicContact CB-CG2 4.43Å; T260-I308 HydrophobicContact CG2-CG1 3.87Å; T260-I308 PolarHBondContact O-N 3.48Å; L262-I308 HydrophobicContact CB-CD1 4.3Å; L262-I308 HydrophobicContact CD1-CD1 4.42Å; I308-E311 PolarHBondContact O-N 3.02Å; I308-K312 HydrophobicContact CG2-CD 4.36Å; I308-K312 WeakPolarHBondContact O-CG 3.49Å; I308-K312 PolarHBondContact O-N 2.92Å
309G98.8Very high97.8Very high13 Ų1332.2 Ų32.213%0.13416%0.159CC..Hα-helixtrans-61.7-45.7175.100000112.7D258 T307 K312D258-G309 WeakPolarHBondContact O-CA 3.21Å; D258-G309 PolarHBondContact O-N 3.41Å; T307-G309 PolarHBondContact O-N 3.45Å; G309-K312 PolarHBondContact O-N 3.46Å
310E98.5Very high97.8Very high59 Ų5926.7 Ų26.728%0.27613%0.134SC..Hα-helixtrans-60.1-47.4172.7-80.1174.2101.400111.7K289 T307 K312 Q313 Y314K289-E310 IonicContact NZ-OE1 2.97Å; K289-E310 PolarHBondContact NZ-OE1 3.47Å; K289-E310 IonicContact NZ-OE2 3.29Å; T307-E310 PolarHBondContact N-OE2 3.14Å; T307-E310 WeakPolarHBondContact O-CB 3.44Å; T307-E310 PolarHBondContact O-N 3.26Å; T307-E310 WeakPolarHBondContact OG1-CB 3.36Å; T307-E310 VanDerWaalsContact OG1-CG 3.23Å; T307-E310 WeakPolarHBondContact OG1-CG 3.4Å; T307-E310 PolarHBondContact OG1-N 2.87Å; T307-E310 PolarHBondContact OG1-OE2 3.25Å; E310-K312 VanDerWaalsContact C-N 3.28Å; E310-K312 PolarHBondContact O-N 3.3Å; E310-Q313 VanDerWaalsContact O-CB 3.31Å; E310-Q313 WeakPolarHBondContact O-CB 3.43Å; E310-Q313 PolarHBondContact O-N 3.5Å; E310-Y314 HydrophobicContact CB-CE1 3.75Å; E310-Y314 VanDerWaalsContact O-CD1 3.27Å; E310-Y314 WeakPolarHBondContact O-CD1 3.13Å; E310-Y314 VanDerWaalsContact O-CE1 3.26Å; E310-Y314 WeakPolarHBondContact O-CE1 3.25Å; E310-Y314 PolarHBondContact O-N 3.37Å
311E98.8Very high97.8Very high0 Ų024.7 Ų24.70%013%0.126CC..Hα-helixtrans-60.3-37.1-178.6-65.6-60.5136.400112.1L232 S233 L262 S306 T307 I308 Q313 Y314 N315 L318L232-E311 WeakPolarHBondContact CA-OE1 3.28Å; L232-E311 WeakPolarHBondContact CG-OE1 3.33Å; S233-E311 PolarHBondContact N-OE2 3.44Å; L262-E311 HydrophobicContact CD2-CG 3.68Å; S306-E311 WeakPolarHBondContact CB-OE1 3.01Å; S306-E311 PolarHBondContact OG-OE1 2.84Å; T307-E311 WeakPolarHBondContact O-CG 3.41Å; T307-E311 PolarHBondContact O-N 2.96Å; I308-E311 PolarHBondContact O-N 3.02Å; E311-Q313 PolarHBondContact O-N 3.36Å; E311-Q313 VanDerWaalsContact O-N 3.15Å; E311-Y314 VanDerWaalsContact CD-CE2 3.49Å; E311-Y314 PolarHBondContact O-N 3.08Å; E311-Y314 VanDerWaalsContact OE1-CE2 3.31Å; E311-Y314 WeakPolarHBondContact OE1-CE2 3.3Å; E311-Y314 VanDerWaalsContact OE1-CZ 3.31Å; E311-Y314 PolarHBondContact OE1-OH 3.26Å; E311-Y314 WeakPolarHBondContact OE2-CE2 3.36Å; E311-N315 HydrophobicContact CB-CB 4.21Å; E311-N315 WeakPolarHBondContact O-CA 3.4Å; E311-N315 WeakPolarHBondContact O-CB 3.48Å; E311-N315 PolarHBondContact O-N 2.99Å; E311-N315 WeakPolarHBondContact OE2-CB 3.22Å; E311-N315 PolarHBondContact OE2-ND2 3.16Å; E311-L318 HydrophobicContact CB-CD1 3.63Å
312K98.6Very high97.7Very high58 Ų5824.1 Ų24.125%0.25213%0.125SC..Hα-helixtrans-60.1-23.6174.4-71.8167.6-177.2171.10113G254 L256 D258 I308 G309 E310 R319G254-K312 WeakPolarHBondContact O-CE 3.36Å; G254-K312 PolarHBondContact O-NZ 3.43Å; L256-K312 PolarHBondContact O-NZ 2.64Å; L256-K312 VanDerWaalsContact O-NZ 3.1Å; D258-K312 IonicContact OD1-NZ 2.71Å; D258-K312 PolarHBondContact OD1-NZ 3.37Å; I308-K312 HydrophobicContact CG2-CD 4.36Å; I308-K312 WeakPolarHBondContact O-CG 3.49Å; I308-K312 PolarHBondContact O-N 2.92Å; G309-K312 PolarHBondContact O-N 3.46Å; E310-K312 VanDerWaalsContact C-N 3.28Å; E310-K312 PolarHBondContact O-N 3.3Å; K312-R319 WeakPolarHBondContact O-CD 3.47Å; K312-R319 VanDerWaalsContact O-CG 3.23Å; K312-R319 WeakPolarHBondContact O-CG 3.49Å
313Q98.1Very high97.7Very high112 Ų11227 Ų2752%0.52315%0.149SC..Hα-helixtrans-82.9-36.1-179-62.3-178.2-12.200113.3N283 A285 E310 E311N283-Q313 PolarHBondContact ND2-O 2.74Å; A285-Q313 HydrophobicContact CB-CB 3.91Å; E310-Q313 VanDerWaalsContact O-CB 3.31Å; E310-Q313 WeakPolarHBondContact O-CB 3.43Å; E310-Q313 PolarHBondContact O-N 3.5Å; E311-Q313 PolarHBondContact O-N 3.36Å; E311-Q313 VanDerWaalsContact O-N 3.15Å
314Y97.6Very high97.5Very high4 Ų433 Ų332%0.01618%0.177CC..Hα-helixtrans-127.2-13.3-172.157.8-114000115.9L232 L273 K289 E310 E311 P316L232-Y314 HydrophobicContact CD2-CE2 3.97Å; L273-Y314 HydrophobicContact CD2-CD2 4.24Å; K289-Y314 HydrophobicContact CB-CD1 3.96Å; K289-Y314 HydrophobicContact CB-CE1 3.86Å; K289-Y314 HydrophobicContact CD-CE1 3.83Å; K289-Y314 VanDerWaalsContact CE-OH 3.29Å; K289-Y314 WeakPolarHBondContact CE-OH 3.27Å; K289-Y314 HydrophobicContact CG-CD1 4.2Å; K289-Y314 HydrophobicContact CG-CE1 3.62Å; K289-Y314 HydrophobicContact CG-CE2 4.28Å; E310-Y314 HydrophobicContact CB-CE1 3.75Å; E310-Y314 VanDerWaalsContact O-CD1 3.27Å; E310-Y314 WeakPolarHBondContact O-CD1 3.13Å; E310-Y314 VanDerWaalsContact O-CE1 3.26Å; E310-Y314 WeakPolarHBondContact O-CE1 3.25Å; E310-Y314 PolarHBondContact O-N 3.37Å; E311-Y314 VanDerWaalsContact CD-CE2 3.49Å; E311-Y314 PolarHBondContact O-N 3.08Å; E311-Y314 VanDerWaalsContact OE1-CE2 3.31Å; E311-Y314 WeakPolarHBondContact OE1-CE2 3.3Å; E311-Y314 VanDerWaalsContact OE1-CZ 3.31Å; E311-Y314 PolarHBondContact OE1-OH 3.26Å; E311-Y314 WeakPolarHBondContact OE2-CE2 3.36Å; Y314-P316 VanDerWaalsContact O-CD 3.22Å; Y314-P316 WeakPolarHBondContact O-CD 3.24Å
315N98.7Very high97.4Very high0 Ų032.3 Ų32.30%017%0.173CC..  trans-82.2109.2-179-170.1-30000109.5F231 G234 E311 F317 L318 R319F231-N315 PolarHBondContact O-ND2 3.15Å; F231-N315 VanDerWaalsContact O-ND2 3.1Å; G234-N315 PolarHBondContact N-ND2 3.23Å; G234-N315 PolarHBondContact N-OD1 3.13Å; G234-N315 PolarHBondContact O-ND2 2.65Å; G234-N315 VanDerWaalsContact O-ND2 3.15Å; E311-N315 HydrophobicContact CB-CB 4.21Å; E311-N315 WeakPolarHBondContact O-CA 3.4Å; E311-N315 WeakPolarHBondContact O-CB 3.48Å; E311-N315 PolarHBondContact O-N 2.99Å; E311-N315 WeakPolarHBondContact OE2-CB 3.22Å; E311-N315 PolarHBondContact OE2-ND2 3.16Å; N315-F317 PolarHBondContact O-N 3.15Å; N315-F317 WeakPolarHBondContact OD1-CB 3.28Å; N315-F317 WeakPolarHBondContact OD1-CD2 3.4Å; N315-F317 PolarHBondContact OD1-N 3.07Å; N315-F317 VanDerWaalsContact OD1-N 3.09Å; N315-L318 HydrophobicContact CB-CB 4.41Å; N315-L318 HydrophobicContact CB-CG 4.34Å; N315-L318 PolarHBondContact O-N 3Å; N315-R319 WeakPolarHBondContact O-CG 3.37Å; N315-R319 PolarHBondContact O-N 2.71Å
316P98.3Very high97.4Very high0 Ų031.4 Ų31.40%017%0.165CC..THydrogen-bonded Turntrans-61.9-24.4-175.225.6-34.6000112.2F275 A276 V279 Y314 R319 L325 L350F275-P316 HydrophobicContact CD1-CG 4.4Å; F275-P316 HydrophobicContact CE1-CG 4.25Å; A276-P316 HydrophobicContact CB-CG 4.19Å; V279-P316 HydrophobicContact CG2-CB 3.94Å; V279-P316 HydrophobicContact CG2-CG 4.24Å; Y314-P316 VanDerWaalsContact O-CD 3.22Å; Y314-P316 WeakPolarHBondContact O-CD 3.24Å; P316-R319 PolarHBondContact O-N 2.78Å; P316-L325 HydrophobicContact CB-CD1 4.29Å; P316-L325 HydrophobicContact CB-CD2 4.35Å; P316-L325 VanDerWaalsContact O-CD2 3.27Å; P316-L325 WeakPolarHBondContact O-CD2 3.27Å; P316-L350 HydrophobicContact CB-CD2 4.2Å
317F98.5Very high97.2Very high1 Ų139.2 Ų39.20%0.00420%0.201CC..THydrogen-bonded Turntrans-77.2-22.5180-59.1-80.7000113.6C235 L250 F275 N315 L347 L350 K354C235-F317 HydrophobicContact CB-CB 3.92Å; C235-F317 HydrophobicContact CB-CD1 4.24Å; C235-F317 HydrophobicContact CB-CD2 4.25Å; C235-F317 HydrophobicContact CB-CG 3.87Å; C235-F317 WeakPolarHBondContact SG-CD1 3.48Å; C235-F317 VanDerWaalsContact SG-CE1 3.56Å; C235-F317 WeakPolarHBondContact SG-CG 3.14Å; L250-F317 HydrophobicContact CD1-CB 4.33Å; F275-F317 HydrophobicContact CD1-CE2 4.42Å; F275-F317 HydrophobicContact CE1-CE2 4.14Å; F275-F317 AromaticContact CE1-CZ 3.94Å; F275-F317 HydrophobicContact CE1-CZ 3.94Å; N315-F317 PolarHBondContact O-N 3.15Å; N315-F317 WeakPolarHBondContact OD1-CB 3.28Å; N315-F317 WeakPolarHBondContact OD1-CD2 3.4Å; N315-F317 PolarHBondContact OD1-N 3.07Å; N315-F317 VanDerWaalsContact OD1-N 3.09Å; F317-L347 HydrophobicContact CD1-CD1 3.62Å; F317-L347 HydrophobicContact CE1-CD1 4.39Å; F317-L350 HydrophobicContact CD1-CB 4.29Å; F317-L350 HydrophobicContact CE1-CB 3.85Å; F317-K354 HydrophobicContact CZ-CB 4Å; F317-K354 HydrophobicContact CZ-CD 4.49Å; F317-K354 HydrophobicContact CZ-CG 4.11Å
318L98.4Very high96.8Very high11 Ų1140 Ų406%0.05821%0.212CC..THydrogen-bonded Turntrans-91-5.6170.2-61-173.2000112.8V230 L250 V253 E311 N315 H321V230-L318 HydrophobicContact CG2-CD1 4.44Å; L250-L318 HydrophobicContact CB-CD2 4.2Å; L250-L318 HydrophobicContact CD2-CD2 3.97Å; V253-L318 HydrophobicContact CG1-CD1 4.46Å; V253-L318 HydrophobicContact CG1-CD2 4.44Å; E311-L318 HydrophobicContact CB-CD1 3.63Å; N315-L318 HydrophobicContact CB-CB 4.41Å; N315-L318 HydrophobicContact CB-CG 4.34Å; N315-L318 PolarHBondContact O-N 3Å; L318-H321 PolarHBondContact O-CE1 2.72Å
319R97.8Very high96.6Very high30 Ų3040.4 Ų40.411%0.11321%0.214CC..  trans-106.620.9-178.2-66.4170.657.874.50.8112.7E280 K312 N315 P316 H321 S322 E324 L325E280-R319 IonicContact OE1-CZ 3.47Å; E280-R319 VanDerWaalsContact OE1-CZ 3.32Å; E280-R319 IonicContact OE1-NE 3.24Å; E280-R319 PolarHBondContact OE1-NE 3.01Å; E280-R319 IonicContact OE1-NH2 3.38Å; E280-R319 PolarHBondContact OE1-NH2 2.81Å; E280-R319 IonicContact OE2-NE 3.74Å; E280-R319 PolarHBondContact OE2-NE 2.86Å; K312-R319 WeakPolarHBondContact O-CD 3.47Å; K312-R319 VanDerWaalsContact O-CG 3.23Å; K312-R319 WeakPolarHBondContact O-CG 3.49Å; N315-R319 WeakPolarHBondContact O-CG 3.37Å; N315-R319 PolarHBondContact O-N 2.71Å; P316-R319 PolarHBondContact O-N 2.78Å; R319-H321 PolarHBondContact O-N 3.34Å; R319-S322 PolarHBondContact NH2-OG 3.12Å; R319-S322 WeakPolarHBondContact O-CB 3.43Å; R319-S322 PolarHBondContact O-N 3.47Å; R319-E324 IonicContact NH2-OE2 3.37Å; R319-E324 PolarHBondContact NH2-OE2 2.79Å; R319-L325 HydrophobicContact CB-CD2 4.1Å; R319-L325 VanDerWaalsContact O-CD2 3.28Å; R319-L325 WeakPolarHBondContact O-CD2 3.28Å
320S96.7Very high96.4Very high1 Ų143 Ų431%0.00724%0.24CC..THydrogen-bonded Turntrans-59.2-14.5179.863.30000114.5L247 H326 R343L247-S320 WeakPolarHBondContact CD1-OG 3.21Å; S320-H326 PolarHBondContact O-NE2 3.24Å; S320-R343 PolarHBondContact OG-NE 2.78Å; S320-R343 PolarHBondContact OG-NH2 3.47Å
321H96.1Very high96.3Very high101 Ų10141.1 Ų41.147%0.46823%0.233SC..THydrogen-bonded Turntrans-89.4-9.8173.761.9-89.9000113.8L318 R319 W339L318-H321 PolarHBondContact O-CE1 2.72Å; R319-H321 PolarHBondContact O-N 3.34Å; H321-W339 HydrophobicContact CB-CZ2 4.03Å
322S95.9Very high96.1Very high16 Ų1648.8 Ų48.811%0.11227%0.268CS..  trans-74.6124.8-173.5176.40000111.9R319 E324 L325 H326R319-S322 PolarHBondContact NH2-OG 3.12Å; R319-S322 WeakPolarHBondContact O-CB 3.43Å; R319-S322 PolarHBondContact O-N 3.47Å; S322-E324 PolarHBondContact O-N 3.47Å; S322-E324 PolarHBondContact OG-N 2.99Å; S322-L325 WeakPolarHBondContact O-CB 3.37Å; S322-L325 PolarHBondContact O-N 2.97Å; S322-L325 VanDerWaalsContact O-N 3.15Å; S322-H326 PolarHBondContact O-CD2 3.4Å; S322-H326 VanDerWaalsContact O-CD2 3.26Å; S322-H326 VanDerWaalsContact O-CG 3.26Å; S322-H326 PolarHBondContact O-N 2.79Å; S322-H326 PolarHBondContact O-NE2 3.26Å
323A94.9Very high96Very high74 Ų7450.1 Ų50.161%0.61228%0.276SS*.Hα-helixtrans-61.3-33.7174.100000112.5L325 H326 Q327A323-L325 VanDerWaalsContact C-N 3.3Å; A323-L325 PolarHBondContact O-N 2.76Å; A323-H326 PolarHBondContact O-N 3.44Å; A323-Q327 WeakPolarHBondContact O-CB 3.33Å; A323-Q327 PolarHBondContact O-N 3.08Å
324E92.8Very high95.9Very high128 Ų12851 Ų5160%0.59828%0.278SS*.Hα-helixtrans-61.3-42.8176.1-59.7172.6154.600110.7R319 S322 Q327 A328R319-E324 IonicContact NH2-OE2 3.37Å; R319-E324 PolarHBondContact NH2-OE2 2.79Å; S322-E324 PolarHBondContact O-N 3.47Å; S322-E324 PolarHBondContact OG-N 2.99Å; E324-Q327 PolarHBondContact O-N 2.87Å; E324-A328 WeakPolarHBondContact O-CB 3.49Å; E324-A328 PolarHBondContact O-N 3.26Å
325L95Very high95.6Very high0 Ų059.6 Ų59.60%032%0.323CS..Hα-helixtrans-69.1-39.7178.6-171.661.2000111.3V279 E280 P316 R319 S322 A323 A328 L329 L350V279-L325 HydrophobicContact CB-CD1 4.21Å; V279-L325 HydrophobicContact CG2-CD1 4.24Å; E280-L325 HydrophobicContact CG-CD1 3.7Å; P316-L325 HydrophobicContact CB-CD1 4.29Å; P316-L325 HydrophobicContact CB-CD2 4.35Å; P316-L325 VanDerWaalsContact O-CD2 3.27Å; P316-L325 WeakPolarHBondContact O-CD2 3.27Å; R319-L325 HydrophobicContact CB-CD2 4.1Å; R319-L325 VanDerWaalsContact O-CD2 3.28Å; R319-L325 WeakPolarHBondContact O-CD2 3.28Å; S322-L325 WeakPolarHBondContact O-CB 3.37Å; S322-L325 PolarHBondContact O-N 2.97Å; S322-L325 VanDerWaalsContact O-N 3.15Å; A323-L325 VanDerWaalsContact C-N 3.3Å; A323-L325 PolarHBondContact O-N 2.76Å; L325-A328 PolarHBondContact O-N 3.18Å; L325-L329 HydrophobicContact CD1-CD1 4.29Å; L325-L329 HydrophobicContact CD1-CG 4.41Å; L325-L329 HydrophobicContact CG-CD1 4Å; L325-L329 WeakPolarHBondContact O-CB 3.32Å; L325-L329 VanDerWaalsContact O-CG 3.23Å; L325-L329 WeakPolarHBondContact O-CG 3.47Å; L325-L329 PolarHBondContact O-N 3.24Å; L325-L350 HydrophobicContact CD1-CD2 4.16Å; L325-L350 HydrophobicContact CD2-CD1 3.74Å; L325-L350 HydrophobicContact CG-CD1 4.44Å
326H96.3Very high95.4Very high17 Ų1767.4 Ų67.48%0.07937%0.365CS..Hα-helixtrans-60.1-47175.1-57.7161.8000111.5S320 S322 A323 A328 L329 G330 V331 W339 F342S320-H326 PolarHBondContact O-NE2 3.24Å; S322-H326 PolarHBondContact O-CD2 3.4Å; S322-H326 VanDerWaalsContact O-CD2 3.26Å; S322-H326 VanDerWaalsContact O-CG 3.26Å; S322-H326 PolarHBondContact O-N 2.79Å; S322-H326 PolarHBondContact O-NE2 3.26Å; A323-H326 PolarHBondContact O-N 3.44Å; H326-A328 PolarHBondContact O-N 2.81Å; H326-L329 PolarHBondContact O-N 2.92Å; H326-G330 PolarHBondContact O-N 3.45Å; H326-V331 HydrophobicContact CB-CG2 4.16Å; H326-V331 PolarHBondContact O-N 2.78Å; H326-W339 AromaticContact CE1-CH2 3.65Å; H326-F342 HydrophobicContact CB-CZ 4.4Å; H326-F342 AromaticContact CE1-CE1 3.43Å; H326-F342 VanDerWaalsContact CE1-CE1 3.43Å; H326-F342 WeakPolarHBondContact CE1-CE1 3.26Å; H326-F342 AromaticContact CG-CZ 3.89Å; H326-F342 AromaticContact ND1-CE1 3.48Å; H326-F342 WeakPolarHBondContact ND1-CE1 3.23Å; H326-F342 AromaticContact ND1-CZ 3.81Å; H326-F342 AromaticContact NE2-CE1 3.93Å
327Q93.6Very high95.3Very high165 Ų16568.7 Ų68.777%0.77137%0.371SS*.Hα-helixtrans-60.7-45.9176.9-174.1179.916.800111.4A323 E324 L329 G330A323-Q327 WeakPolarHBondContact O-CB 3.33Å; A323-Q327 PolarHBondContact O-N 3.08Å; E324-Q327 PolarHBondContact O-N 2.87Å; Q327-L329 VanDerWaalsContact C-N 3.3Å; Q327-L329 PolarHBondContact O-N 2.77Å; Q327-G330 PolarHBondContact O-N 3.22Å; Q327-G330 VanDerWaalsContact O-N 3.08Å
328A91.7Very high95.2Very high51 Ų5172.8 Ų72.842%0.42139%0.393SS..Hα-helixtrans-67.1-31.5-179.300000113.2V279 E324 L325 H326 G330V279-A328 WeakPolarHBondContact O-CB 3.05Å; E324-A328 WeakPolarHBondContact O-CB 3.49Å; E324-A328 PolarHBondContact O-N 3.26Å; L325-A328 PolarHBondContact O-N 3.18Å; H326-A328 PolarHBondContact O-N 2.81Å; A328-G330 VanDerWaalsContact C-N 3.32Å
329L94.3Very high95.1Very high8 Ų877.5 Ų77.54%0.04241%0.41CS..Hα-helixtrans-79.2-15.8173.3-66.2171.3000113V279 L325 H326 Q327 V331 V346 L350 R353V279-L329 HydrophobicContact CG1-CD2 3.99Å; L325-L329 HydrophobicContact CD1-CD1 4.29Å; L325-L329 HydrophobicContact CD1-CG 4.41Å; L325-L329 HydrophobicContact CG-CD1 4Å; L325-L329 WeakPolarHBondContact O-CB 3.32Å; L325-L329 VanDerWaalsContact O-CG 3.23Å; L325-L329 WeakPolarHBondContact O-CG 3.47Å; L325-L329 PolarHBondContact O-N 3.24Å; H326-L329 PolarHBondContact O-N 2.92Å; Q327-L329 VanDerWaalsContact C-N 3.3Å; Q327-L329 PolarHBondContact O-N 2.77Å; L329-V331 VanDerWaalsContact C-N 3.29Å; L329-V331 HydrophobicContact CB-CG1 4.12Å; L329-V331 HydrophobicContact CB-CG2 3.9Å; L329-V331 HydrophobicContact CD1-CG2 4.45Å; L329-V346 HydrophobicContact CD1-CG1 3.86Å; L329-L350 HydrophobicContact CD1-CD1 4.21Å; L329-L350 HydrophobicContact CD1-CD2 3.81Å; L329-L350 HydrophobicContact CD1-CG 3.66Å; L329-L350 HydrophobicContact CD2-CD2 3.85Å; L329-L350 HydrophobicContact CD2-CG 4.38Å; L329-L350 HydrophobicContact CG-CD2 4.33Å; L329-R353 PolarHBondContact O-NH2 2.75Å
330G94.9Very high95.1Very high67 Ų6779.3 Ų79.369%0.69143%0.425SS*.THydrogen-bonded Turntrans68.430.1-173.800000112.5H326 Q327 A328H326-G330 PolarHBondContact O-N 3.45Å; Q327-G330 PolarHBondContact O-N 3.22Å; Q327-G330 VanDerWaalsContact O-N 3.08Å; A328-G330 VanDerWaalsContact C-N 3.32Å
331V95Very high95.1Very high20 Ų2085 Ų8512%0.12145%0.451CS..  trans-106.1137178.9-62.30000109.7H326 L329 F342 V346 E349H326-V331 HydrophobicContact CB-CG2 4.16Å; H326-V331 PolarHBondContact O-N 2.78Å; L329-V331 VanDerWaalsContact C-N 3.29Å; L329-V331 HydrophobicContact CB-CG1 4.12Å; L329-V331 HydrophobicContact CB-CG2 3.9Å; L329-V331 HydrophobicContact CD1-CG2 4.45Å; V331-F342 HydrophobicContact CB-CE2 4.42Å; V331-F342 HydrophobicContact CG2-CE2 4.33Å; V331-F342 HydrophobicContact CG2-CZ 4.4Å; V331-V346 HydrophobicContact CG2-CG2 3.81Å; V331-E349 HydrophobicContact CG1-CG 4.31Å
332Q95.7Very high95.2Very high160 Ų16080.4 Ų80.475%0.74843%0.43SS*.  trans-128.4147.5177.4-66.6-179.2-16.200109.1R345Q332-R345 PolarHBondContact O-NH2 3.36Å
333Q96.4Very high95.3Very high87 Ų8780.8 Ų80.841%0.40743%0.429SS..  trans-68.2134.9174.1-172.7174.97.900109.5E337 F342Q333-E337 HydrophobicContact CG-CB 4.27Å; Q333-E337 PolarHBondContact NE2-O 2.88Å; Q333-F342 HydrophobicContact CB-CB 4.46Å; Q333-F342 HydrophobicContact CB-CD1 3.78Å; Q333-F342 HydrophobicContact CB-CD2 4.05Å; Q333-F342 HydrophobicContact CB-CE1 3.95Å; Q333-F342 HydrophobicContact CB-CE2 4.23Å; Q333-F342 HydrophobicContact CB-CG 3.82Å; Q333-F342 HydrophobicContact CB-CZ 4.18Å; Q333-F342 HydrophobicContact CG-CB 4.04Å; Q333-F342 HydrophobicContact CG-CD1 4.12Å; Q333-F342 HydrophobicContact CG-CD2 4.47Å; Q333-F342 HydrophobicContact CG-CG 3.95Å
334F95.3Very high95.5Very high131 Ų13177.4 Ų77.458%0.57540%0.401SS*.  trans-77.8155.5172.6-54.9-58.8000110.8D336 E337F334-D336 PolarHBondContact O-N 3.41Å; F334-D336 VanDerWaalsContact O-N 3.14Å; F334-E337 HydrophobicContact CB-CB 3.99Å; F334-E337 PolarHBondContact N-OE2 2.78Å; F334-E337 VanDerWaalsContact N-OE2 3.1Å; F334-E337 PolarHBondContact O-N 2.77Å; F334-E337 VanDerWaalsContact O-N 3.1Å
335L91.8Very high95.7Very high183 Ų18374.2 Ų74.296%0.95838%0.383SS*.THydrogen-bonded Turntrans-52.5-38.9-174.3-78.2162.7000113.9
336D94.2Very high95.9Very high164 Ų16474.2 Ų74.288%0.87738%0.383SS*.THydrogen-bonded Turntrans-10712.4-176.8-55.4-50.6000113.4F334F334-D336 PolarHBondContact O-N 3.41Å; F334-D336 VanDerWaalsContact O-N 3.14Å
337E96Very high96Very high27 Ų2773.4 Ų73.413%0.12638%0.38CS..  trans-87.9127.4-177.6-175.7-179.4-145.500111.2Q333 F334 Q341 F342 R345Q333-E337 HydrophobicContact CG-CB 4.27Å; Q333-E337 PolarHBondContact NE2-O 2.88Å; F334-E337 HydrophobicContact CB-CB 3.99Å; F334-E337 PolarHBondContact N-OE2 2.78Å; F334-E337 VanDerWaalsContact N-OE2 3.1Å; F334-E337 PolarHBondContact O-N 2.77Å; F334-E337 VanDerWaalsContact O-N 3.1Å; E337-Q341 HydrophobicContact CG-CB 4.12Å; E337-F342 HydrophobicContact CG-CB 4.06Å; E337-R345 IonicContact OE1-CZ 3.74Å; E337-R345 IonicContact OE1-NE 3.79Å; E337-R345 PolarHBondContact OE1-NE 3.18Å; E337-R345 IonicContact OE1-NH2 2.68Å; E337-R345 PolarHBondContact OE1-NH2 2.79Å; E337-R345 IonicContact OE2-CZ 2.69Å; E337-R345 IonicContact OE2-NE 3.39Å; E337-R345 IonicContact OE2-NH2 2.64Å; E337-R345 PolarHBondContact OE2-NH2 3.37Å
338D96.8Very high96.2Very high87 Ų8768.9 Ų68.947%0.46536%0.359SS..  trans-63.2144.4173.5177.191.4000111.3T340 Q341 F342D338-T340 VanDerWaalsContact C-N 3.27Å; D338-T340 PolarHBondContact O-N 3.36Å; D338-T340 WeakPolarHBondContact OD2-CA 3.24Å; D338-T340 WeakPolarHBondContact OD2-CB 3.15Å; D338-T340 PolarHBondContact OD2-N 2.77Å; D338-T340 PolarHBondContact OD2-OG1 2.91Å; D338-Q341 HydrophobicContact CB-CB 4.35Å; D338-Q341 HydrophobicContact CB-CG 4.12Å; D338-Q341 WeakPolarHBondContact O-CB 3.44Å; D338-Q341 PolarHBondContact O-N 3.38Å; D338-F342 PolarHBondContact O-N 2.81Å
339W96.9Very high96.4Very high110 Ų11069.1 Ų69.142%0.41735%0.351SS..Hα-helixtrans-56.1-38.6-178.1178.3-117.9000113.8H321 H326 F342 R343H321-W339 HydrophobicContact CB-CZ2 4.03Å; H326-W339 AromaticContact CE1-CH2 3.65Å; W339-F342 AromaticContact CE3-CD1 3.71Å; W339-F342 HydrophobicContact CE3-CD1 3.71Å; W339-F342 HydrophobicContact CE3-CE1 4.43Å; W339-F342 HydrophobicContact CH2-CD1 4.4Å; W339-F342 HydrophobicContact CH2-CE1 4.46Å; W339-F342 AromaticContact CZ3-CD1 3.51Å; W339-F342 HydrophobicContact CZ3-CD1 3.51Å; W339-F342 AromaticContact CZ3-CE1 3.78Å; W339-F342 HydrophobicContact CZ3-CE1 3.78Å; W339-F342 PolarHBondContact O-N 2.88Å; W339-R343 HydrophobicContact CD2-CG 4.29Å; W339-R343 HydrophobicContact CZ2-CG 4.12Å; W339-R343 WeakPolarHBondContact O-CG 3.37Å; W339-R343 PolarHBondContact O-N 2.84Å
340T97Very high96.6Very high69 Ų6968.8 Ų68.842%0.42335%0.349SS..Hα-helixtrans-67.7-41177.6-52.40000111L247 D338 R343 A344L247-T340 HydrophobicContact CD2-CG2 4.14Å; L247-T340 WeakPolarHBondContact CD2-O 3.21Å; D338-T340 VanDerWaalsContact C-N 3.27Å; D338-T340 PolarHBondContact O-N 3.36Å; D338-T340 WeakPolarHBondContact OD2-CA 3.24Å; D338-T340 WeakPolarHBondContact OD2-CB 3.15Å; D338-T340 PolarHBondContact OD2-N 2.77Å; D338-T340 PolarHBondContact OD2-OG1 2.91Å; T340-R343 PolarHBondContact O-N 3.49Å; T340-A344 WeakPolarHBondContact O-CB 3.23Å; T340-A344 PolarHBondContact O-N 2.86Å
341Q97.2Very high96.6Very high119 Ų11966.2 Ų66.256%0.55632%0.319SS*.Hα-helixtrans-65.4-41.8175.8-66.2-178.4-2.700111.1E337 D338 A344 R345E337-Q341 HydrophobicContact CG-CB 4.12Å; D338-Q341 HydrophobicContact CB-CB 4.35Å; D338-Q341 HydrophobicContact CB-CG 4.12Å; D338-Q341 WeakPolarHBondContact O-CB 3.44Å; D338-Q341 PolarHBondContact O-N 3.38Å; Q341-A344 WeakPolarHBondContact O-CB 3.37Å; Q341-A344 PolarHBondContact O-N 2.85Å; Q341-R345 PolarHBondContact O-N 2.76Å
342F98.4Very high96.6Very high5 Ų569.9 Ų69.92%0.02233%0.333CS..Hα-helixtrans-59.9-49.2174.1176.2-128.7000111.7H326 V331 Q333 E337 D338 W339 A344 R345 V346H326-F342 HydrophobicContact CB-CZ 4.4Å; H326-F342 AromaticContact CE1-CE1 3.43Å; H326-F342 VanDerWaalsContact CE1-CE1 3.43Å; H326-F342 WeakPolarHBondContact CE1-CE1 3.26Å; H326-F342 AromaticContact CG-CZ 3.89Å; H326-F342 AromaticContact ND1-CE1 3.48Å; H326-F342 WeakPolarHBondContact ND1-CE1 3.23Å; H326-F342 AromaticContact ND1-CZ 3.81Å; H326-F342 AromaticContact NE2-CE1 3.93Å; V331-F342 HydrophobicContact CB-CE2 4.42Å; V331-F342 HydrophobicContact CG2-CE2 4.33Å; V331-F342 HydrophobicContact CG2-CZ 4.4Å; Q333-F342 HydrophobicContact CB-CB 4.46Å; Q333-F342 HydrophobicContact CB-CD1 3.78Å; Q333-F342 HydrophobicContact CB-CD2 4.05Å; Q333-F342 HydrophobicContact CB-CE1 3.95Å; Q333-F342 HydrophobicContact CB-CE2 4.23Å; Q333-F342 HydrophobicContact CB-CG 3.82Å; Q333-F342 HydrophobicContact CB-CZ 4.18Å; Q333-F342 HydrophobicContact CG-CB 4.04Å; Q333-F342 HydrophobicContact CG-CD1 4.12Å; Q333-F342 HydrophobicContact CG-CD2 4.47Å; Q333-F342 HydrophobicContact CG-CG 3.95Å; E337-F342 HydrophobicContact CG-CB 4.06Å; D338-F342 PolarHBondContact O-N 2.81Å; W339-F342 AromaticContact CE3-CD1 3.71Å; W339-F342 HydrophobicContact CE3-CD1 3.71Å; W339-F342 HydrophobicContact CE3-CE1 4.43Å; W339-F342 HydrophobicContact CH2-CD1 4.4Å; W339-F342 HydrophobicContact CH2-CE1 4.46Å; W339-F342 AromaticContact CZ3-CD1 3.51Å; W339-F342 HydrophobicContact CZ3-CD1 3.51Å; W339-F342 AromaticContact CZ3-CE1 3.78Å; W339-F342 HydrophobicContact CZ3-CE1 3.78Å; W339-F342 PolarHBondContact O-N 2.88Å; F342-A344 VanDerWaalsContact C-N 3.27Å; F342-A344 PolarHBondContact O-N 3.26Å; F342-R345 VanDerWaalsContact CD2-NH2 3.26Å; F342-R345 WeakPolarHBondContact O-CB 3.39Å; F342-R345 PolarHBondContact O-N 3.09Å; F342-R345 VanDerWaalsContact O-N 3.09Å; F342-V346 HydrophobicContact CD2-CG2 4.18Å; F342-V346 HydrophobicContact CE1-CG2 4.32Å; F342-V346 HydrophobicContact CE2-CG2 3.81Å; F342-V346 HydrophobicContact CZ-CG2 3.89Å; F342-V346 VanDerWaalsContact O-CG2 3.3Å; F342-V346 WeakPolarHBondContact O-CG2 3.23Å; F342-V346 PolarHBondContact O-N 3.22Å
343R98.2Very high96.6Very high24 Ų2466.6 Ų66.69%0.09131%0.314CS..Hα-helixtrans-60.1-35.7175.3-73.3-17864.8-1443.7112.6L247 D251 S320 W339 T340 V346 L347L247-R343 HydrophobicContact CD1-CB 4.3Å; L247-R343 HydrophobicContact CD2-CB 3.64Å; D251-R343 IonicContact OD1-CZ 3.87Å; D251-R343 IonicContact OD1-NH1 2.85Å; D251-R343 PolarHBondContact OD1-NH1 3.37Å; D251-R343 VanDerWaalsContact OD1-NH1 3.16Å; D251-R343 IonicContact OD1-NH2 3.13Å; D251-R343 PolarHBondContact OD1-NH2 3.09Å; D251-R343 IonicContact OD2-CZ 2.75Å; D251-R343 IonicContact OD2-NH1 2.72Å; D251-R343 PolarHBondContact OD2-NH1 2.85Å; D251-R343 IonicContact OD2-NH2 2.99Å; S320-R343 PolarHBondContact OG-NE 2.78Å; S320-R343 PolarHBondContact OG-NH2 3.47Å; W339-R343 HydrophobicContact CD2-CG 4.29Å; W339-R343 HydrophobicContact CZ2-CG 4.12Å; W339-R343 WeakPolarHBondContact O-CG 3.37Å; W339-R343 PolarHBondContact O-N 2.84Å; T340-R343 PolarHBondContact O-N 3.49Å; R343-V346 WeakPolarHBondContact O-CB 3.29Å; R343-V346 PolarHBondContact O-N 3.37Å; R343-L347 WeakPolarHBondContact O-CB 3.3Å; R343-L347 PolarHBondContact O-N 3.37Å
344A98.2Very high96.6Very high4 Ų463.7 Ų63.73%0.03330%0.3CS..Hα-helixtrans-66.3-39.8175.900000110.8A243 L247 T340 Q341 F342 L347 E348A243-A344 HydrophobicContact CB-CB 4.43Å; A243-A344 VanDerWaalsContact CB-O 3.22Å; A243-A344 WeakPolarHBondContact CB-O 3.17Å; L247-A344 HydrophobicContact CD2-CB 4.07Å; T340-A344 WeakPolarHBondContact O-CB 3.23Å; T340-A344 PolarHBondContact O-N 2.86Å; Q341-A344 WeakPolarHBondContact O-CB 3.37Å; Q341-A344 PolarHBondContact O-N 2.85Å; F342-A344 VanDerWaalsContact C-N 3.27Å; F342-A344 PolarHBondContact O-N 3.26Å; A344-L347 WeakPolarHBondContact O-CB 3.5Å; A344-L347 PolarHBondContact O-N 3.48Å; A344-E348 WeakPolarHBondContact O-CB 3.42Å; A344-E348 PolarHBondContact O-N 3.29Å
345R97.8Very high96.5Very high60 Ų6059.5 Ų59.523%0.22628%0.283CS..Hα-helixtrans-66.5-38.9174.3-173.9166.257.286.3-7.5112.6Q332 E337 Q341 F342 L347 E348 E349Q332-R345 PolarHBondContact O-NH2 3.36Å; E337-R345 IonicContact OE1-CZ 3.74Å; E337-R345 IonicContact OE1-NE 3.79Å; E337-R345 PolarHBondContact OE1-NE 3.18Å; E337-R345 IonicContact OE1-NH2 2.68Å; E337-R345 PolarHBondContact OE1-NH2 2.79Å; E337-R345 IonicContact OE2-CZ 2.69Å; E337-R345 IonicContact OE2-NE 3.39Å; E337-R345 IonicContact OE2-NH2 2.64Å; E337-R345 PolarHBondContact OE2-NH2 3.37Å; Q341-R345 PolarHBondContact O-N 2.76Å; F342-R345 VanDerWaalsContact CD2-NH2 3.26Å; F342-R345 WeakPolarHBondContact O-CB 3.39Å; F342-R345 PolarHBondContact O-N 3.09Å; F342-R345 VanDerWaalsContact O-N 3.09Å; R345-L347 VanDerWaalsContact C-N 3.35Å; R345-E348 PolarHBondContact O-N 2.86Å; R345-E349 PolarHBondContact O-N 2.81Å
346V98.3Very high96.4Very high0 Ų056.6 Ų56.60%027%0.268CS..Hα-helixtrans-58.1-48.1171.1173.70000110.3L329 V331 F342 R343 E348 E349 L350L329-V346 HydrophobicContact CD1-CG1 3.86Å; V331-V346 HydrophobicContact CG2-CG2 3.81Å; F342-V346 HydrophobicContact CD2-CG2 4.18Å; F342-V346 HydrophobicContact CE1-CG2 4.32Å; F342-V346 HydrophobicContact CE2-CG2 3.81Å; F342-V346 HydrophobicContact CZ-CG2 3.89Å; F342-V346 VanDerWaalsContact O-CG2 3.3Å; F342-V346 WeakPolarHBondContact O-CG2 3.23Å; F342-V346 PolarHBondContact O-N 3.22Å; R343-V346 WeakPolarHBondContact O-CB 3.29Å; R343-V346 PolarHBondContact O-N 3.37Å; V346-E348 PolarHBondContact O-N 2.9Å; V346-E349 PolarHBondContact O-N 2.96Å; V346-L350 HydrophobicContact CG1-CD1 4.11Å; V346-L350 WeakPolarHBondContact O-CG 3.39Å; V346-L350 PolarHBondContact O-N 2.87Å
347L98.3Very high96.3Very high1 Ų151.3 Ų51.31%0.00524%0.237CC..Hα-helixtrans-62.3-42177.3175.861000112.2A243 M246 L247 L250 F317 R343 A344 R345 E349 L350 R351A243-L347 WeakPolarHBondContact O-CD2 3.37Å; M246-L347 HydrophobicContact CB-CD2 4.03Å; M246-L347 HydrophobicContact CG-CD2 3.93Å; L247-L347 HydrophobicContact CB-CD2 3.83Å; L247-L347 HydrophobicContact CD1-CD2 4.38Å; L250-L347 HydrophobicContact CD1-CD1 3.96Å; L250-L347 HydrophobicContact CD1-CD2 3.93Å; F317-L347 HydrophobicContact CD1-CD1 3.62Å; F317-L347 HydrophobicContact CE1-CD1 4.39Å; R343-L347 WeakPolarHBondContact O-CB 3.3Å; R343-L347 PolarHBondContact O-N 3.37Å; A344-L347 WeakPolarHBondContact O-CB 3.5Å; A344-L347 PolarHBondContact O-N 3.48Å; R345-L347 VanDerWaalsContact C-N 3.35Å; L347-E349 VanDerWaalsContact C-N 3.35Å; L347-E349 PolarHBondContact O-N 3Å; L347-L350 PolarHBondContact O-N 2.89Å; L347-R351 WeakPolarHBondContact O-CB 3.43Å; L347-R351 PolarHBondContact O-N 3.36Å
348E97.4Very high95.5Very high70 Ų7055.9 Ų55.933%0.32726%0.263SS..Hα-helixtrans-60.2-45.6176.9-162.8-169.7172.500111.3A243 A344 R345 V346 R351 K352A243-E348 HydrophobicContact CB-CB 3.73Å; A243-E348 HydrophobicContact CB-CG 4.22Å; A344-E348 WeakPolarHBondContact O-CB 3.42Å; A344-E348 PolarHBondContact O-N 3.29Å; R345-E348 PolarHBondContact O-N 2.86Å; V346-E348 PolarHBondContact O-N 2.9Å; E348-R351 PolarHBondContact O-N 3.33Å; E348-K352 HydrophobicContact CG-CD 4.4Å; E348-K352 WeakPolarHBondContact O-CB 3.38Å; E348-K352 VanDerWaalsContact O-CG 3.31Å; E348-K352 WeakPolarHBondContact O-CG 3.37Å; E348-K352 PolarHBondContact O-N 3.49Å; E348-K352 WeakPolarHBondContact OE1-CE 3.45Å; E348-K352 IonicContact OE1-NZ 3.72Å; E348-K352 PolarHBondContact OE1-NZ 2.99Å; E348-K352 IonicContact OE2-NZ 2.74Å
349E97.4Very high94.2Very high56 Ų5656.8 Ų56.826%0.26226%0.26SS..Hα-helixtrans-64.2-44.9177.6179.858-163.900111.8V331 R345 V346 L347 R351 K352 R353V331-E349 HydrophobicContact CG1-CG 4.31Å; R345-E349 PolarHBondContact O-N 2.81Å; V346-E349 PolarHBondContact O-N 2.96Å; L347-E349 VanDerWaalsContact C-N 3.35Å; L347-E349 PolarHBondContact O-N 3Å; E349-R351 VanDerWaalsContact C-N 3.31Å; E349-R351 PolarHBondContact O-N 3.39Å; E349-K352 PolarHBondContact O-N 2.98Å; E349-R353 WeakPolarHBondContact O-CG 3.36Å; E349-R353 PolarHBondContact O-N 3.43Å; E349-R353 IonicContact OE1-CZ 3.63Å; E349-R353 IonicContact OE1-NE 3.1Å; E349-R353 PolarHBondContact OE1-NE 3.49Å; E349-R353 IonicContact OE1-NH2 2.87Å; E349-R353 PolarHBondContact OE1-NH2 2.75Å
350L97.1Very high91.9Very high0 Ų066.4 Ų66.40%030%0.296CS..Hα-helixtrans-56.2-46.8173.5-78.5165.1000112F275 V279 P316 F317 L325 L329 V346 L347 R353 K354F275-L350 HydrophobicContact CE1-CD2 4.43Å; F275-L350 HydrophobicContact CZ-CD2 4.38Å; F275-L350 WeakPolarHBondContact CZ-O 3.4Å; V279-L350 HydrophobicContact CB-CD2 4.41Å; V279-L350 HydrophobicContact CG1-CD2 4.06Å; V279-L350 HydrophobicContact CG2-CD2 4.39Å; P316-L350 HydrophobicContact CB-CD2 4.2Å; F317-L350 HydrophobicContact CD1-CB 4.29Å; F317-L350 HydrophobicContact CE1-CB 3.85Å; L325-L350 HydrophobicContact CD1-CD2 4.16Å; L325-L350 HydrophobicContact CD2-CD1 3.74Å; L325-L350 HydrophobicContact CG-CD1 4.44Å; L329-L350 HydrophobicContact CD1-CD1 4.21Å; L329-L350 HydrophobicContact CD1-CD2 3.81Å; L329-L350 HydrophobicContact CD1-CG 3.66Å; L329-L350 HydrophobicContact CD2-CD2 3.85Å; L329-L350 HydrophobicContact CD2-CG 4.38Å; L329-L350 HydrophobicContact CG-CD2 4.33Å; V346-L350 HydrophobicContact CG1-CD1 4.11Å; V346-L350 WeakPolarHBondContact O-CG 3.39Å; V346-L350 PolarHBondContact O-N 2.87Å; L347-L350 PolarHBondContact O-N 2.89Å; L350-R353 PolarHBondContact O-N 3.32Å; L350-K354 WeakPolarHBondContact O-CB 3.32Å; L350-K354 PolarHBondContact O-N 2.96Å
351R96.3Very high91.6Very high14 Ų1466.3 Ų66.35%0.05329%0.29CS..Hα-helixtrans-64.4-44.2-179.4-16964.7-95.5-178.5-14.2111.3C235 M238 L347 E348 E349 R353 K354 D355C235-R351 PolarHBondContact O-NH1 3.5Å; M238-R351 HydrophobicContact CE-CB 3.84Å; M238-R351 HydrophobicContact CE-CG 3.69Å; L347-R351 WeakPolarHBondContact O-CB 3.43Å; L347-R351 PolarHBondContact O-N 3.36Å; E348-R351 PolarHBondContact O-N 3.33Å; E349-R351 VanDerWaalsContact C-N 3.31Å; E349-R351 PolarHBondContact O-N 3.39Å; R351-R353 VanDerWaalsContact C-N 3.34Å; R351-R353 PolarHBondContact O-N 3.41Å; R351-K354 VanDerWaalsContact CZ-CG 3.49Å; R351-K354 PolarHBondContact O-N 3.03Å; R351-D355 IonicContact CZ-OD1 2.75Å; R351-D355 IonicContact NE-OD1 3.92Å; R351-D355 PolarHBondContact NE-OD1 2.97Å; R351-D355 IonicContact NE-OD2 3.37Å; R351-D355 IonicContact NH2-OD1 3.36Å; R351-D355 PolarHBondContact NH2-OD1 3.36Å; R351-D355 WeakPolarHBondContact O-CB 3.31Å; R351-D355 PolarHBondContact O-N 3.48Å
352K94.6Very high91.3Very high97 Ų9763.5 Ų63.542%0.42228%0.275SS..Hα-helixtrans-57.6-45.6175.1-76.9170.5-177.9165.20111.4E348 E349 D355 L356E348-K352 HydrophobicContact CG-CD 4.4Å; E348-K352 WeakPolarHBondContact O-CB 3.38Å; E348-K352 VanDerWaalsContact O-CG 3.31Å; E348-K352 WeakPolarHBondContact O-CG 3.37Å; E348-K352 PolarHBondContact O-N 3.49Å; E348-K352 WeakPolarHBondContact OE1-CE 3.45Å; E348-K352 IonicContact OE1-NZ 3.72Å; E348-K352 PolarHBondContact OE1-NZ 2.99Å; E348-K352 IonicContact OE2-NZ 2.74Å; E349-K352 PolarHBondContact O-N 2.98Å; K352-D355 PolarHBondContact O-N 3.41Å; K352-L356 WeakPolarHBondContact O-CG 3.34Å; K352-L356 PolarHBondContact O-N 3.47Å
353R95.6Very high91Very high90 Ų9066.8 Ų66.834%0.3429%0.29SS..Hα-helixtrans-63.5-45.5176-68.4-174-170.9-167.88.3111.6F275 L329 E349 L350 R351 D355 L356 F357F275-R353 HydrophobicContact CE2-CB 3.81Å; F275-R353 HydrophobicContact CZ-CB 4.07Å; L329-R353 PolarHBondContact O-NH2 2.75Å; E349-R353 WeakPolarHBondContact O-CG 3.36Å; E349-R353 PolarHBondContact O-N 3.43Å; E349-R353 IonicContact OE1-CZ 3.63Å; E349-R353 IonicContact OE1-NE 3.1Å; E349-R353 PolarHBondContact OE1-NE 3.49Å; E349-R353 IonicContact OE1-NH2 2.87Å; E349-R353 PolarHBondContact OE1-NH2 2.75Å; L350-R353 PolarHBondContact O-N 3.32Å; R351-R353 VanDerWaalsContact C-N 3.34Å; R351-R353 PolarHBondContact O-N 3.41Å; R353-D355 VanDerWaalsContact C-N 3.33Å; R353-D355 PolarHBondContact O-N 2.77Å; R353-L356 CarbonylContact O-C 3.58Å; R353-L356 PolarHBondContact O-N 3.38Å; R353-F357 WeakPolarHBondContact O-CB 3.25Å; R353-F357 PolarHBondContact O-N 3.5Å
354K95.9Very high90.5Very high27 Ų2769.3 Ų69.312%0.11730%0.301CS..Hα-helixtrans-63.3-36.4178.2-174.377.2-166.6-53.30112.5N272 F275 F317 L350 R351 L356 F357N272-K354 PolarHBondContact OD1-NZ 3.16Å; F275-K354 HydrophobicContact CB-CD 3.4Å; F275-K354 VanDerWaalsContact CB-CD 3.4Å; F275-K354 HydrophobicContact CD1-CB 4.24Å; F275-K354 HydrophobicContact CD1-CD 3.23Å; F275-K354 HydrophobicContact CD1-CG 4.25Å; F275-K354 HydrophobicContact CD2-CB 4.15Å; F275-K354 HydrophobicContact CD2-CD 3.63Å; F275-K354 HydrophobicContact CD2-CG 4.48Å; F275-K354 HydrophobicContact CE1-CB 3.9Å; F275-K354 HydrophobicContact CE1-CD 3.79Å; F275-K354 HydrophobicContact CE1-CG 4.36Å; F275-K354 VanDerWaalsContact CE2-CA 3.48Å; F275-K354 HydrophobicContact CE2-CB 3.83Å; F275-K354 HydrophobicContact CE2-CD 4.17Å; F275-K354 VanDerWaalsContact CE2-N 3.33Å; F275-K354 HydrophobicContact CG-CB 4.32Å; F275-K354 HydrophobicContact CG-CD 3.1Å; F275-K354 HydrophobicContact CG-CG 4.27Å; F275-K354 HydrophobicContact CZ-CB 3.68Å; F275-K354 HydrophobicContact CZ-CD 4.22Å; F317-K354 HydrophobicContact CZ-CB 4Å; F317-K354 HydrophobicContact CZ-CD 4.49Å; F317-K354 HydrophobicContact CZ-CG 4.11Å; L350-K354 WeakPolarHBondContact O-CB 3.32Å; L350-K354 PolarHBondContact O-N 2.96Å; R351-K354 VanDerWaalsContact CZ-CG 3.49Å; R351-K354 PolarHBondContact O-N 3.03Å; K354-L356 VanDerWaalsContact C-N 3.28Å; K354-L356 PolarHBondContact O-N 3.42Å; K354-F357 WeakPolarHBondContact O-CB 3.46Å; K354-F357 PolarHBondContact O-N 2.97Å
355D92.4Very high90Very high43 Ų4373.4 Ų73.423%0.2332%0.318CS..Hα-helixtrans-71.3-24.9179.2-69.4-13.8000113R237 R351 K352 R353R237-D355 WeakPolarHBondContact CG-OD1 3.3Å; R351-D355 IonicContact CZ-OD1 2.75Å; R351-D355 IonicContact NE-OD1 3.92Å; R351-D355 PolarHBondContact NE-OD1 2.97Å; R351-D355 IonicContact NE-OD2 3.37Å; R351-D355 IonicContact NH2-OD1 3.36Å; R351-D355 PolarHBondContact NH2-OD1 3.36Å; R351-D355 WeakPolarHBondContact O-CB 3.31Å; R351-D355 PolarHBondContact O-N 3.48Å; K352-D355 PolarHBondContact O-N 3.41Å; R353-D355 VanDerWaalsContact C-N 3.33Å; R353-D355 PolarHBondContact O-N 2.77Å
356L91.4Very high89.5Confident121 Ų12174.3 Ų74.363%0.63432%0.324SS*.Hα-helixtrans-94.5-13.6174.1-63.6176.1000113K352 R353 K354 N358K352-L356 WeakPolarHBondContact O-CG 3.34Å; K352-L356 PolarHBondContact O-N 3.47Å; R353-L356 CarbonylContact O-C 3.58Å; R353-L356 PolarHBondContact O-N 3.38Å; K354-L356 VanDerWaalsContact C-N 3.28Å; K354-L356 PolarHBondContact O-N 3.42Å; L356-N358 PolarHBondContact O-N 3.04Å
357F91.7Very high88.9Confident53 Ų5379.6 Ų79.623%0.23235%0.347CS..  trans-62.3130.7178.4-178.1-107.3000109.7L274 F275 E278 R353 K354L274-F357 HydrophobicContact CB-CE1 4.23Å; L274-F357 HydrophobicContact CB-CZ 4.11Å; F275-F357 HydrophobicContact CB-CD1 3.95Å; F275-F357 HydrophobicContact CB-CE1 4.07Å; F275-F357 HydrophobicContact CB-CG 4.25Å; F275-F357 HydrophobicContact CB-CZ 4.49Å; F275-F357 HydrophobicContact CD2-CB 3.91Å; F275-F357 HydrophobicContact CD2-CD1 4.42Å; F275-F357 HydrophobicContact CD2-CD2 4.15Å; F275-F357 AromaticContact CD2-CG 3.9Å; F275-F357 HydrophobicContact CD2-CG 3.9Å; E278-F357 HydrophobicContact CG-CD2 4.03Å; E278-F357 HydrophobicContact CG-CE2 3.53Å; E278-F357 HydrophobicContact CG-CZ 4.41Å; R353-F357 WeakPolarHBondContact O-CB 3.25Å; R353-F357 PolarHBondContact O-N 3.5Å; K354-F357 WeakPolarHBondContact O-CB 3.46Å; K354-F357 PolarHBondContact O-N 2.97Å
358N79.6Confident88.2Confident124 Ų12485.6 Ų85.666%0.66337%0.374SS*.  trans-133.7127.6178.2-168.340.5000106.2L356 R360L356-N358 PolarHBondContact O-N 3.04Å; N358-R360 PolarHBondContact O-N 2.94Å
359R68.4Low87.4Confident106 Ų10686.9 Ų86.940%0.438%0.377SS..  trans-51.4107.2170.8-69.3-171.3-177.6-146.2-2.1107.1E270 D271 L274E270-R359 IonicContact OE1-CZ 4Å; E270-R359 IonicContact OE1-NH1 3.43Å; E270-R359 PolarHBondContact OE1-NH1 3.42Å; E270-R359 IonicContact OE1-NH2 3.33Å; E270-R359 PolarHBondContact OE1-NH2 2.94Å; D271-R359 WeakPolarHBondContact OD1-CG 3.48Å; D271-R359 IonicContact OD1-CZ 2.71Å; D271-R359 IonicContact OD1-NE 3.26Å; D271-R359 PolarHBondContact OD1-NE 2.99Å; D271-R359 IonicContact OD1-NH2 3.33Å; D271-R359 PolarHBondContact OD1-NH2 3.4Å; D271-R359 IonicContact OD2-CZ 2.97Å; D271-R359 IonicContact OD2-NE 2.76Å; D271-R359 PolarHBondContact OD2-NE 2.93Å; D271-R359 IonicContact OD2-NH2 3.45Å; D271-R359 PolarHBondContact OD2-NH2 3.37Å; L274-R359 HydrophobicContact CD1-CG 4.41Å
360R48.4Very low86.5Confident312 Ų31289.7 Ų89.7100%1.17739%0.388SS*.  trans-76.40174-78.7-170.4-178-174.63.6109.6N358N358-R360 PolarHBondContact O-N 2.94Å

Retrieved 360 of 360 residues in 184.3 ms (Link to these results)

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