A0A096NND3_PAPAN Loading...

Proteasome subunit alpha type

AlphaFold DB (A0A2K5PKJ2), UniProt , Accession A0A096NND3, Species PAPAN (Papio anubis, Olive baboon), Gene PSMA7, Length 248 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
1M51.4Low77.1Confident227 Ų227112.5 Ų112.5100%1.11856%0.562SS**  0116.10-77.5174.8-175.400107.6
2S57.5Low78.5Confident89 Ų89114.3 Ų114.362%0.62259%0.588SS**  trans-84.1138.5170.6-168.50000108.9D4S2-D4 VanDerWaalsContact C-N 3.3Å; S2-D4 VanDerWaalsContact CB-OD2 3.25Å; S2-D4 WeakPolarHBondContact CB-OD2 3.41Å; S2-D4 PolarHBondContact O-N 3.02Å; S2-D4 VanDerWaalsContact OG-CG 3.25Å; S2-D4 PolarHBondContact OG-OD1 2.71Å; S2-D4 PolarHBondContact OG-OD2 3.06Å
3Y67.3Low79.7Confident194 Ų194116.2 Ų116.276%0.76160%0.599SS**  trans-89.265.7177.1-72.6-88.3000110R5 G123Y3-R5 PolarHBondContact O-N 3.05Å; Y3-R5 VanDerWaalsContact O-N 3.08Å; Y3-G123 WeakPolarHBondContact O-CA 3.5Å
4D72.9Confident80.6Confident108 Ų108111.4 Ų111.458%0.57859%0.592SS**  trans-82.127.4-174.7-59.9-35.5000113.9S2S2-D4 VanDerWaalsContact C-N 3.3Å; S2-D4 VanDerWaalsContact CB-OD2 3.25Å; S2-D4 WeakPolarHBondContact CB-OD2 3.41Å; S2-D4 PolarHBondContact O-N 3.02Å; S2-D4 VanDerWaalsContact OG-CG 3.25Å; S2-D4 PolarHBondContact OG-OD1 2.71Å; S2-D4 PolarHBondContact OG-OD2 3.06Å
5R76.3Confident81.5Confident207 Ų207110.1 Ų110.178%0.78158%0.582SS**  trans-71.9136.3179.3-72.8-173.9178.1-174.9-0.7110.6Y3 I7 G123Y3-R5 PolarHBondContact O-N 3.05Å; Y3-R5 VanDerWaalsContact O-N 3.08Å; R5-I7 PolarHBondContact O-N 3.45Å; R5-G123 PolarHBondContact O-N 2.9Å
6A81.7Confident82.2Confident61 Ų61106.1 Ų106.150%0.50456%0.56SS.*  trans-67.5114.8167.300000108.8V9A6-V9 HydrophobicContact CB-CG1 4.1Å
7I84.5Confident82.9Confident66 Ų66105.2 Ų105.234%0.33855%0.551SS.*  trans-92.5-47.5-179.5-62.6178.2000110.1R5 V9 Q18R5-I7 PolarHBondContact O-N 3.45Å; I7-V9 PolarHBondContact O-N 3.03Å; I7-Q18 HydrophobicContact CG2-CG 4.22Å
8T84.5Confident83.5Confident27 Ų27103.1 Ų103.117%0.16654%0.537CS..SBendtrans-88103.7176.6-50.90000108.6L16 Q18 T119T8-L16 HydrophobicContact CG2-CB 4.49Å; T8-L16 HydrophobicContact CG2-CD1 4.36Å; T8-L16 HydrophobicContact CG2-CD2 3.97Å; T8-Q18 HydrophobicContact CG2-CB 4.41Å; T8-T119 WeakPolarHBondContact CB-O 3.47Å; T8-T119 VanDerWaalsContact CG2-O 3.32Å; T8-T119 WeakPolarHBondContact CG2-O 3.26Å; T8-T119 PolarHBondContact OG1-O 3.14Å
9V89.4Confident84.1Confident87 Ų8798.3 Ų98.353%0.52751%0.513SS..  trans-117.2149.2178.5-64.90000110A6 I7A6-V9 HydrophobicContact CB-CG1 4.1Å; I7-V9 PolarHBondContact O-N 3.03Å
10F91.9Very high84.7Confident160 Ų16096.6 Ų96.670%0.70250%0.502SS*.  trans-69.1135.1172.2-71-83.8000110.2L16F10-L16 HydrophobicContact CD1-CD2 3.69Å; F10-L16 HydrophobicContact CD1-CG 4.3Å; F10-L16 HydrophobicContact CD2-CD2 4.39Å; F10-L16 HydrophobicContact CE1-CD1 4.47Å; F10-L16 HydrophobicContact CE1-CD2 3.87Å; F10-L16 HydrophobicContact CE1-CG 4.21Å; F10-L16 HydrophobicContact CG-CD2 3.98Å; F10-L16 HydrophobicContact CZ-CD2 4.29Å
11S91.1Very high85.3Confident12 Ų1298.5 Ų98.58%0.08450%0.504CS..  trans-70.1161.5164.681.80000110D13 G14 H15 F17S11-D13 PolarHBondContact O-N 3.27Å; S11-D13 VanDerWaalsContact O-N 3.13Å; S11-D13 PolarHBondContact OG-N 3.37Å; S11-G14 PolarHBondContact O-N 3.31Å; S11-G14 PolarHBondContact OG-N 2.69Å; S11-H15 PolarHBondContact N-O 3.41Å; S11-H15 WeakPolarHBondContact OG-CB 3.2Å; S11-H15 PolarHBondContact OG-N 3.13Å; S11-F17 VanDerWaalsContact CB-CE2 3.5Å
12P93.1Very high87.5Confident134 Ų13488.1 Ų88.187%0.8745%0.454SS*.THydrogen-bonded Turntrans-53.7-30.7173.2-26.836.1000113.5G14P12-G14 VanDerWaalsContact C-N 3.34Å
13D94Very high89.3Confident138 Ų13887.4 Ų87.474%0.73844%0.441SS*.THydrogen-bonded Turntrans-89.33.9-180-51.9-54.8000113.3S11S11-D13 PolarHBondContact O-N 3.27Å; S11-D13 VanDerWaalsContact O-N 3.13Å; S11-D13 PolarHBondContact OG-N 3.37Å
14G92.8Very high90.7Very high49 Ų4982.2 Ų82.251%0.50542%0.424SS..SBendtrans87.99.4177.600000115.7S11 P12S11-G14 PolarHBondContact O-N 3.31Å; S11-G14 PolarHBondContact OG-N 2.69Å; P12-G14 VanDerWaalsContact C-N 3.34Å
15H93.5Very high91.8Very high93 Ų9378.5 Ų78.543%0.43141%0.408SS..  trans-83.8156.1178.8-68.8-108000112.7S11 F17 E20S11-H15 PolarHBondContact N-O 3.41Å; S11-H15 WeakPolarHBondContact OG-CB 3.2Å; S11-H15 PolarHBondContact OG-N 3.13Å; H15-F17 HydrophobicContact CB-CE1 4.3Å; H15-E20 IonicContact CE1-OE1 3.92Å; H15-E20 IonicContact CG-OE1 3.58Å; H15-E20 IonicContact ND1-OE1 2.82Å; H15-E20 PolarHBondContact ND1-OE1 3.17Å
16L93.8Very high92.8Very high46 Ų4669.1 Ų69.124%0.24137%0.374CS..  trans-115.186.7172.4-67-179.3000110.3T8 F10 Q18 V19 E20T8-L16 HydrophobicContact CG2-CB 4.49Å; T8-L16 HydrophobicContact CG2-CD1 4.36Å; T8-L16 HydrophobicContact CG2-CD2 3.97Å; F10-L16 HydrophobicContact CD1-CD2 3.69Å; F10-L16 HydrophobicContact CD1-CG 4.3Å; F10-L16 HydrophobicContact CD2-CD2 4.39Å; F10-L16 HydrophobicContact CE1-CD1 4.47Å; F10-L16 HydrophobicContact CE1-CD2 3.87Å; F10-L16 HydrophobicContact CE1-CG 4.21Å; F10-L16 HydrophobicContact CG-CD2 3.98Å; F10-L16 HydrophobicContact CZ-CD2 4.29Å; L16-Q18 PolarHBondContact O-N 2.84Å; L16-Q18 VanDerWaalsContact O-N 3.13Å; L16-V19 HydrophobicContact CB-CB 4.17Å; L16-V19 HydrophobicContact CB-CG2 3.98Å; L16-V19 HydrophobicContact CD1-CG2 4.28Å; L16-V19 WeakPolarHBondContact O-CB 3.47Å; L16-V19 PolarHBondContact O-N 2.64Å; L16-E20 PolarHBondContact O-N 2.91Å; L16-E20 VanDerWaalsContact O-N 3.14Å
17F93.4Very high93.5Very high90 Ų9071.8 Ų71.840%0.39537%0.374SS..Hα-helixtrans-56.1-34.9-174.7-66.4-50000114.1S11 H15 V19 E20 Y21S11-F17 VanDerWaalsContact CB-CE2 3.5Å; H15-F17 HydrophobicContact CB-CE1 4.3Å; F17-V19 VanDerWaalsContact C-N 3.26Å; F17-V19 PolarHBondContact O-N 2.79Å; F17-E20 WeakPolarHBondContact CD1-OE2 3.44Å; F17-E20 PolarHBondContact O-N 3.17Å; F17-Y21 HydrophobicContact CB-CE1 4.38Å; F17-Y21 HydrophobicContact CB-CE2 4.1Å; F17-Y21 WeakPolarHBondContact O-CB 3.46Å; F17-Y21 WeakPolarHBondContact O-CD1 3.27Å; F17-Y21 WeakPolarHBondContact O-CD2 3.35Å; F17-Y21 PolarHBondContact O-N 3.25Å
18Q93.8Very high93.9Very high67 Ų6776.9 Ų76.931%0.31339%0.394SS..Hα-helixtrans-63.3-33.1176.8-69.7-63.8-42.800112.8I7 T8 L16 A22 P126I7-Q18 HydrophobicContact CG2-CG 4.22Å; T8-Q18 HydrophobicContact CG2-CB 4.41Å; L16-Q18 PolarHBondContact O-N 2.84Å; L16-Q18 VanDerWaalsContact O-N 3.13Å; Q18-A22 WeakPolarHBondContact O-CB 3.37Å; Q18-A22 PolarHBondContact O-N 3.39Å; Q18-A22 VanDerWaalsContact O-N 3.15Å; Q18-P126 HydrophobicContact CB-CG 4.06Å
19V95.8Very high94.4Very high12 Ų1276 Ų767%0.07339%0.39CS..Hα-helixtrans-74.4-42.1175.3178.50000110L16 F17 Y21 A22 Q23 T119 P126L16-V19 HydrophobicContact CB-CB 4.17Å; L16-V19 HydrophobicContact CB-CG2 3.98Å; L16-V19 HydrophobicContact CD1-CG2 4.28Å; L16-V19 WeakPolarHBondContact O-CB 3.47Å; L16-V19 PolarHBondContact O-N 2.64Å; F17-V19 VanDerWaalsContact C-N 3.26Å; F17-V19 PolarHBondContact O-N 2.79Å; V19-Y21 VanDerWaalsContact C-N 3.34Å; V19-Y21 PolarHBondContact O-N 2.79Å; V19-A22 WeakPolarHBondContact O-CB 3.17Å; V19-A22 PolarHBondContact O-N 3.38Å; V19-A22 VanDerWaalsContact O-N 3.16Å; V19-Q23 WeakPolarHBondContact O-CG 3.04Å; V19-Q23 PolarHBondContact O-N 3.33Å; V19-T119 HydrophobicContact CG2-CG2 4.02Å; V19-P126 HydrophobicContact CG2-CG 4.19Å
20E95.8Very high94.7Very high64 Ų6472.4 Ų72.430%0.29937%0.369SS..Hα-helixtrans-60.2-43.1175.3-64.2179.3179.700111.4H15 L16 F17 A22 Q23 E24H15-E20 IonicContact CE1-OE1 3.92Å; H15-E20 IonicContact CG-OE1 3.58Å; H15-E20 IonicContact ND1-OE1 2.82Å; H15-E20 PolarHBondContact ND1-OE1 3.17Å; L16-E20 PolarHBondContact O-N 2.91Å; L16-E20 VanDerWaalsContact O-N 3.14Å; F17-E20 WeakPolarHBondContact CD1-OE2 3.44Å; F17-E20 PolarHBondContact O-N 3.17Å; E20-A22 VanDerWaalsContact C-N 3.33Å; E20-A22 PolarHBondContact O-N 3.04Å; E20-Q23 WeakPolarHBondContact O-CB 3.49Å; E20-Q23 PolarHBondContact O-N 2.96Å; E20-Q23 VanDerWaalsContact O-N 3.16Å; E20-E24 WeakPolarHBondContact O-CG 3.1Å; E20-E24 PolarHBondContact O-N 3.29Å
21Y96.6Very high94.9Very high137 Ų13764.8 Ų64.854%0.53734%0.336SS..Hα-helixtrans-63.6-37.8175.1-60.2-19.5000112.5F17 V19 Q23 E24 A25F17-Y21 HydrophobicContact CB-CE1 4.38Å; F17-Y21 HydrophobicContact CB-CE2 4.1Å; F17-Y21 WeakPolarHBondContact O-CB 3.46Å; F17-Y21 WeakPolarHBondContact O-CD1 3.27Å; F17-Y21 WeakPolarHBondContact O-CD2 3.35Å; F17-Y21 PolarHBondContact O-N 3.25Å; V19-Y21 VanDerWaalsContact C-N 3.34Å; V19-Y21 PolarHBondContact O-N 2.79Å; Y21-Q23 VanDerWaalsContact C-N 3.33Å; Y21-E24 PolarHBondContact O-N 3.21Å; Y21-A25 PolarHBondContact O-N 3.23Å
22A97Very high95.2Very high9 Ų964.2 Ų64.27%0.07433%0.332CS..Hα-helixtrans-64.5-39.4174.300000111.4Q18 V19 E20 A25 V26 P126 P149Q18-A22 WeakPolarHBondContact O-CB 3.37Å; Q18-A22 PolarHBondContact O-N 3.39Å; Q18-A22 VanDerWaalsContact O-N 3.15Å; V19-A22 WeakPolarHBondContact O-CB 3.17Å; V19-A22 PolarHBondContact O-N 3.38Å; V19-A22 VanDerWaalsContact O-N 3.16Å; E20-A22 VanDerWaalsContact C-N 3.33Å; E20-A22 PolarHBondContact O-N 3.04Å; A22-A25 WeakPolarHBondContact O-CB 3.33Å; A22-A25 PolarHBondContact O-N 3.4Å; A22-V26 WeakPolarHBondContact O-CG2 3.34Å; A22-V26 PolarHBondContact O-N 3.43Å; A22-V26 VanDerWaalsContact O-N 3.11Å; A22-P126 HydrophobicContact CB-CB 4.22Å; A22-P149 HydrophobicContact CB-CB 3.67Å; A22-P149 HydrophobicContact CB-CG 4.09Å
23Q96.2Very high95.5Very high75 Ų7557.9 Ų57.935%0.3529%0.29SS..Hα-helixtrans-65.1-39.2173.3-69.2174.7-14.900112V19 E20 Y21 A25 V26 K27 P149V19-Q23 WeakPolarHBondContact O-CG 3.04Å; V19-Q23 PolarHBondContact O-N 3.33Å; E20-Q23 WeakPolarHBondContact O-CB 3.49Å; E20-Q23 PolarHBondContact O-N 2.96Å; E20-Q23 VanDerWaalsContact O-N 3.16Å; Y21-Q23 VanDerWaalsContact C-N 3.33Å; Q23-A25 VanDerWaalsContact C-N 3.32Å; Q23-A25 PolarHBondContact O-N 3Å; Q23-V26 WeakPolarHBondContact O-CB 3.42Å; Q23-V26 PolarHBondContact O-N 3.32Å; Q23-V26 VanDerWaalsContact O-N 3.16Å; Q23-K27 PolarHBondContact O-N 2.94Å; Q23-P149 HydrophobicContact CG-CB 4.47Å; Q23-P149 HydrophobicContact CG-CG 4.25Å
24E96.8Very high95.7Very high84 Ų8451.3 Ų51.339%0.39326%0.255SS..Hα-helixtrans-63.6-36.6172.8-71.2-53.1127.100112.4E20 Y21 V26 K27 K28E20-E24 WeakPolarHBondContact O-CG 3.1Å; E20-E24 PolarHBondContact O-N 3.29Å; Y21-E24 PolarHBondContact O-N 3.21Å; E24-V26 VanDerWaalsContact C-N 3.3Å; E24-V26 PolarHBondContact O-N 3.47Å; E24-K27 PolarHBondContact O-N 3.49Å; E24-K27 WeakPolarHBondContact OE1-CD 3.43Å; E24-K27 WeakPolarHBondContact OE1-CE 3.31Å; E24-K27 IonicContact OE1-NZ 3.85Å; E24-K27 PolarHBondContact OE1-NZ 3.16Å; E24-K28 WeakPolarHBondContact O-CG 3.46Å; E24-K28 PolarHBondContact O-N 3.49Å
25A96.1Very high95.9Very high30 Ų3049 Ų4925%0.24823%0.231CC..Hα-helixtrans-63-37.2172.900000112.1Y21 A22 Q23 K28 G29Y21-A25 PolarHBondContact O-N 3.23Å; A22-A25 WeakPolarHBondContact O-CB 3.33Å; A22-A25 PolarHBondContact O-N 3.4Å; Q23-A25 VanDerWaalsContact C-N 3.32Å; Q23-A25 PolarHBondContact O-N 3Å; A25-K28 PolarHBondContact O-N 3.38Å; A25-G29 PolarHBondContact O-N 3.38Å
26V97.3Very high96.1Very high10 Ų1047.6 Ų47.66%0.06122%0.222CC..Hα-helixtrans-63.2-45173.1175.10000111.1A22 Q23 E24 K28 G29 A74 S130 P149 G162A22-V26 WeakPolarHBondContact O-CG2 3.34Å; A22-V26 PolarHBondContact O-N 3.43Å; A22-V26 VanDerWaalsContact O-N 3.11Å; Q23-V26 WeakPolarHBondContact O-CB 3.42Å; Q23-V26 PolarHBondContact O-N 3.32Å; Q23-V26 VanDerWaalsContact O-N 3.16Å; E24-V26 VanDerWaalsContact C-N 3.3Å; E24-V26 PolarHBondContact O-N 3.47Å; V26-K28 PolarHBondContact O-N 3.03Å; V26-K28 VanDerWaalsContact O-N 3.16Å; V26-G29 PolarHBondContact O-N 3.33Å; V26-A74 HydrophobicContact CG1-CB 4.19Å; V26-S130 VanDerWaalsContact CG2-N 3.32Å; V26-P149 HydrophobicContact CG2-CG 3.86Å; V26-G162 WeakPolarHBondContact O-CA 3.46Å
27K95.4Very high96.2Very high118 Ų11845.6 Ų45.651%0.51321%0.213SC..Hα-helixtrans-60.2-25.5179.4-70176.8-173.1170.20113.1Q23 E24 R163Q23-K27 PolarHBondContact O-N 2.94Å; E24-K27 PolarHBondContact O-N 3.49Å; E24-K27 WeakPolarHBondContact OE1-CD 3.43Å; E24-K27 WeakPolarHBondContact OE1-CE 3.31Å; E24-K27 IonicContact OE1-NZ 3.85Å; E24-K27 PolarHBondContact OE1-NZ 3.16Å; K27-R163 WeakPolarHBondContact O-CA 3.44Å; K27-R163 WeakPolarHBondContact O-CB 3.45Å; K27-R163 PolarHBondContact O-N 3.33Å
28K94.4Very high96.1Very high172 Ų17247.8 Ų47.875%0.74822%0.218SC*.THydrogen-bonded Turntrans-83.2-12.4174.5-65.5175.3-174.71780113.7E24 A25 V26E24-K28 WeakPolarHBondContact O-CG 3.46Å; E24-K28 PolarHBondContact O-N 3.49Å; A25-K28 PolarHBondContact O-N 3.38Å; V26-K28 PolarHBondContact O-N 3.03Å; V26-K28 VanDerWaalsContact O-N 3.16Å
29G94.4Very high96.1Very high9 Ų949.1 Ų49.19%0.09323%0.227CC..SBendtrans-73162.7177.900000113.4A25 V26 R163A25-G29 PolarHBondContact O-N 3.38Å; V26-G29 PolarHBondContact O-N 3.33Å; G29-R163 WeakPolarHBondContact O-CB 3.37Å; G29-R163 WeakPolarHBondContact O-CG 3.36Å; G29-R163 PolarHBondContact O-N 2.88Å
30S94.6Very high96.2Very high12 Ų1248.6 Ų48.68%0.08422%0.224CC..PPolyproline II helixtrans-57.3148.9172.9-48.40000111.7E46 K61 A74S30-E46 WeakPolarHBondContact CB-O 3.41Å; S30-E46 PolarHBondContact OG-O 3.3Å; S30-K61 VanDerWaalsContact CB-NZ 3.29Å; S30-K61 PolarHBondContact OG-NZ 2.9Å; S30-A74 WeakPolarHBondContact O-CB 3.46Å
31T96.6Very high96.3Very high0 Ų045.6 Ų45.60%021%0.21CC..PPolyproline II helixtrans-68135.2176-43.50000110.7V33 E46 I161 R163 V168 L195 V198T31-V33 HydrophobicContact CG2-CG2 4.37Å; T31-E46 PolarHBondContact N-OE2 3.42Å; T31-E46 WeakPolarHBondContact O-CB 3.46Å; T31-E46 PolarHBondContact O-N 3.4Å; T31-I161 CarbonylContact C-O 3.59Å; T31-I161 WeakPolarHBondContact CA-O 3.5Å; T31-R163 WeakPolarHBondContact OG1-CG 3.32Å; T31-R163 PolarHBondContact OG1-O 3.31Å; T31-V168 HydrophobicContact CG2-CG2 4.11Å; T31-L195 HydrophobicContact CG2-CD2 4.48Å; T31-V198 HydrophobicContact CG2-CG2 4.07Å
32A97.9Very high96.4Very high0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-129.6141.7168.800000109.3G44 V45 A72 L132 A160 I161A32-G44 CarbonylContact C-O 3.59Å; A32-G44 WeakPolarHBondContact CA-O 3.4Å; A32-V45 HydrophobicContact CB-CG1 4.33Å; A32-V45 HydrophobicContact CB-CG2 3.9Å; A32-A72 HydrophobicContact CB-CB 4.38Å; A32-L132 HydrophobicContact CB-CD1 4.41Å; A32-A160 CarbonylContact O-C 3.58Å; A32-A160 VanDerWaalsContact O-CA 3.25Å; A32-A160 WeakPolarHBondContact O-CA 3.33Å; A32-I161 HydrophobicContact CB-CD1 4.37Å; A32-I161 HydrophobicContact CB-CG1 3.87Å; A32-I161 PolarHBondContact N-O 2.91Å; A32-I161 PolarHBondContact O-N 3.15Å
33V98.5Very high96.4Very high0 Ų038.7 Ų38.70%018%0.182CC..EExtended strand (participates in β ladder)trans-129.3137.1-175.2-178.40000108.6T31 V35 L43 G44 N159 A160 V168 L172 A194 L195T31-V33 HydrophobicContact CG2-CG2 4.37Å; V33-V35 HydrophobicContact CG1-CG2 4.3Å; V33-L43 WeakPolarHBondContact O-CA 3.43Å; V33-G44 PolarHBondContact N-O 2.82Å; V33-G44 PolarHBondContact O-N 3.36Å; V33-N159 WeakPolarHBondContact CA-O 3.32Å; V33-A160 HydrophobicContact CG2-CB 4.15Å; V33-V168 HydrophobicContact CG2-CG1 3.69Å; V33-L172 HydrophobicContact CG1-CD1 4.02Å; V33-A194 HydrophobicContact CG1-CB 4.32Å; V33-L195 HydrophobicContact CB-CD2 4.46Å; V33-L195 HydrophobicContact CG2-CD2 3.71Å; V33-L195 HydrophobicContact CG2-CG 4.1Å
34G98.5Very high96.5Very high0 Ų035.1 Ų35.10%017%0.165CC..EExtended strand (participates in β ladder)trans-125.8133.3172.800000110V42 L144 A158 N159G34-V42 WeakPolarHBondContact CA-O 3.4Å; G34-L144 WeakPolarHBondContact O-CD2 3.31Å; G34-A158 CarbonylContact O-C 3.58Å; G34-A158 VanDerWaalsContact O-CA 3.26Å; G34-A158 WeakPolarHBondContact O-CA 3.5Å; G34-N159 PolarHBondContact N-O 3.36Å; G34-N159 PolarHBondContact O-N 3.27Å
35V98.6Very high96.5Very high1 Ų131.2 Ų31.21%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-131.6133.3174.8177.10000108.6V33 V42 A158 L172 Y176 I181 T187 L190 V191V33-V35 HydrophobicContact CG1-CG2 4.3Å; V35-V42 PolarHBondContact N-O 2.73Å; V35-V42 PolarHBondContact O-N 2.91Å; V35-A158 HydrophobicContact CG2-CB 3.98Å; V35-L172 HydrophobicContact CG2-CD2 3.97Å; V35-Y176 HydrophobicContact CG1-CD2 4.03Å; V35-Y176 HydrophobicContact CG1-CE2 3.86Å; V35-I181 HydrophobicContact CG1-CG2 4.27Å; V35-T187 HydrophobicContact CB-CG2 4.4Å; V35-T187 HydrophobicContact CG1-CG2 3.79Å; V35-L190 HydrophobicContact CG1-CD2 4.13Å; V35-V191 HydrophobicContact CB-CG2 3.6Å; V35-V191 HydrophobicContact CG2-CG2 3.46Å; V35-V191 VanDerWaalsContact CG2-CG2 3.46Å
36R97.4Very high96.3Very high63 Ų6330.1 Ų30.124%0.23814%0.137CC..EExtended strand (participates in β ladder)trans-96.3119.2171.6173.8173.475.8163.110110V41 P142 K157 Y176R36-V41 HydrophobicContact CG-CG1 4.46Å; R36-P142 WeakPolarHBondContact CD-O 3.26Å; R36-P142 HydrophobicContact CG-CB 3.76Å; R36-P142 HydrophobicContact CG-CG 3.71Å; R36-P142 PolarHBondContact NH1-O 3.23Å; R36-P142 VanDerWaalsContact NH1-O 3.14Å; R36-K157 WeakPolarHBondContact CB-O 3.31Å; R36-K157 PolarHBondContact N-O 3.19Å; R36-Y176 WeakPolarHBondContact O-CE2 3.41Å; R36-Y176 PolarHBondContact O-OH 3.24Å
37G95.5Very high95.8Very high4 Ų431.3 Ų31.34%0.04114%0.141CC..  trans-89.2-164.4164.200000111.8I40 P142G37-I40 WeakPolarHBondContact CA-O 3.28Å; G37-I40 PolarHBondContact N-O 2.89Å; G37-P142 WeakPolarHBondContact O-CG 3.12Å
38R91.6Very high94.9Very high137 Ų13732.2 Ų32.252%0.51715%0.145SC..SBendtrans-73.7-49.7178-67.4-176.1177.7173.32.7112.7P142R38-P142 WeakPolarHBondContact O-CD 3.38Å; R38-P142 VanDerWaalsContact O-CG 3.31Å; R38-P142 WeakPolarHBondContact O-CG 3.38Å
39D94Very high93.7Very high94 Ų9428.7 Ų28.750%0.50314%0.142SC..SBendtrans-123.415.4-177.5-61.5-60.1000112.8F136 R213D39-F136 WeakPolarHBondContact O-CZ 3.38Å; D39-R213 PolarHBondContact O-N 2.89Å
40I97.1Very high92.6Very high1 Ų129.5 Ų29.51%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-141.6141.6-173.1-173175.3000110.4G37 V42 D184 T187 I188 V210 R212G37-I40 WeakPolarHBondContact CA-O 3.28Å; G37-I40 PolarHBondContact N-O 2.89Å; I40-V42 HydrophobicContact CD1-CG2 3.66Å; I40-V42 HydrophobicContact CG1-CG2 3.75Å; I40-D184 HydrophobicContact CD1-CB 3.77Å; I40-D184 WeakPolarHBondContact CG2-OD1 3.43Å; I40-T187 HydrophobicContact CG2-CG2 4.05Å; I40-I188 HydrophobicContact CD1-CD1 4.24Å; I40-I188 HydrophobicContact CD1-CG1 4.16Å; I40-V210 HydrophobicContact CD1-CG1 3.39Å; I40-V210 HydrophobicContact CG1-CG1 3.64Å; I40-R212 HydrophobicContact CG1-CG 4.34Å
41V97.8Very high92Very high1 Ų132 Ų321%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-121.2135.6162.1-63.40000109.6R36 V134 F136 P142 M211R36-V41 HydrophobicContact CG-CG1 4.46Å; V41-V134 HydrophobicContact CB-CB 4.05Å; V41-V134 HydrophobicContact CB-CG2 4.25Å; V41-V134 HydrophobicContact CG2-CB 3.85Å; V41-V134 HydrophobicContact CG2-CG2 3.7Å; V41-F136 HydrophobicContact CG1-CZ 4.45Å; V41-F136 HydrophobicContact CG2-CE2 3.88Å; V41-F136 HydrophobicContact CG2-CZ 4.48Å; V41-P142 HydrophobicContact CG1-CB 3.36Å; V41-M211 HydrophobicContact CG2-CB 3.75Å; V41-M211 HydrophobicContact CG2-CG 4.4Å; V41-M211 PolarHBondContact N-O 2.87Å; V41-M211 PolarHBondContact O-N 3.17Å
42V98.4Very high91.3Very high0 Ų042.5 Ų42.50%021%0.212CC..EExtended strand (participates in β ladder)trans-123.8128.3-174.8-174.30000109.4G34 V35 I40 T187 I188 V191 L208 V210G34-V42 WeakPolarHBondContact CA-O 3.4Å; V35-V42 PolarHBondContact N-O 2.73Å; V35-V42 PolarHBondContact O-N 2.91Å; I40-V42 HydrophobicContact CD1-CG2 3.66Å; I40-V42 HydrophobicContact CG1-CG2 3.75Å; V42-T187 HydrophobicContact CG2-CG2 3.92Å; V42-I188 HydrophobicContact CG2-CG1 4.06Å; V42-V191 HydrophobicContact CB-CG2 3.87Å; V42-V191 HydrophobicContact CG1-CB 4.03Å; V42-V191 HydrophobicContact CG1-CG1 4.14Å; V42-V191 HydrophobicContact CG1-CG2 3.71Å; V42-L208 HydrophobicContact CG1-CD2 3.48Å; V42-L208 VanDerWaalsContact CG1-CD2 3.48Å; V42-L208 HydrophobicContact CG1-CG 4.09Å; V42-V210 HydrophobicContact CG1-CG2 4.37Å; V42-V210 HydrophobicContact CG2-CG2 4.33Å
43L98.6Very high91Very high2 Ų251 Ų511%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-110.8124.6169-73.4175.5000109.2V33 I62 A72 L132 V134 L208 A209V33-L43 WeakPolarHBondContact O-CA 3.43Å; L43-I62 HydrophobicContact CB-CD1 4.03Å; L43-I62 HydrophobicContact CB-CG1 4.48Å; L43-I62 HydrophobicContact CD1-CG2 4.16Å; L43-I62 WeakPolarHBondContact O-CD1 3.32Å; L43-A72 HydrophobicContact CD1-CB 3.86Å; L43-A72 HydrophobicContact CD2-CB 4.06Å; L43-A72 HydrophobicContact CG-CB 4.38Å; L43-L132 HydrophobicContact CD2-CB 3.94Å; L43-L132 HydrophobicContact CD2-CD1 4.3Å; L43-V134 HydrophobicContact CD1-CG1 4.43Å; L43-V134 HydrophobicContact CD1-CG2 3.61Å; L43-V134 HydrophobicContact CD2-CG1 3.84Å; L43-V134 HydrophobicContact CD2-CG2 4.41Å; L43-V134 HydrophobicContact CG-CG1 4.1Å; L43-V134 HydrophobicContact CG-CG2 3.76Å; L43-L208 WeakPolarHBondContact O-CA 3.24Å; L43-A209 PolarHBondContact N-O 3.04Å; L43-A209 PolarHBondContact O-N 3.32Å
44G97.5Very high90.4Very high0 Ų055.2 Ų55.20%028%0.276CS..EExtended strand (participates in β ladder)trans-114.9135170.900000109.9A32 V33 E207A32-G44 CarbonylContact C-O 3.59Å; A32-G44 WeakPolarHBondContact CA-O 3.4Å; V33-G44 PolarHBondContact N-O 2.82Å; V33-G44 PolarHBondContact O-N 3.36Å; G44-E207 CarbonylContact C-O 3.57Å; G44-E207 WeakPolarHBondContact CA-O 3.23Å
45V95.9Very high89.7Confident2 Ų259.2 Ų59.21%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-129.6135.4176.7-173.20000110.1A32 K47 K61 I62 A72 E207A32-V45 HydrophobicContact CB-CG1 4.33Å; A32-V45 HydrophobicContact CB-CG2 3.9Å; V45-K47 PolarHBondContact O-N 3.39Å; V45-K61 HydrophobicContact CB-CB 4.45Å; V45-K61 HydrophobicContact CG1-CB 3.82Å; V45-K61 HydrophobicContact CG1-CD 3.78Å; V45-K61 HydrophobicContact CG1-CG 4.33Å; V45-K61 HydrophobicContact CG2-CB 4.34Å; V45-I62 HydrophobicContact CG2-CD1 4.02Å; V45-I62 HydrophobicContact CG2-CG1 3.62Å; V45-A72 HydrophobicContact CG2-CB 3.9Å; V45-E207 PolarHBondContact N-O 3.39Å; V45-E207 PolarHBondContact O-N 2.93Å
46E92.8Very high88.9Confident7 Ų764.1 Ų64.13%0.03332%0.32CS..EExtended strand (participates in β ladder)trans-68.2117.6167.6176-176.6-145.400110.1S30 T31 R163 V199S30-E46 WeakPolarHBondContact CB-O 3.41Å; S30-E46 PolarHBondContact OG-O 3.3Å; T31-E46 PolarHBondContact N-OE2 3.42Å; T31-E46 WeakPolarHBondContact O-CB 3.46Å; T31-E46 PolarHBondContact O-N 3.4Å; E46-R163 IonicContact OE1-CZ 3.57Å; E46-R163 IonicContact OE1-NE 3.45Å; E46-R163 IonicContact OE1-NH2 2.82Å; E46-R163 PolarHBondContact OE1-NH2 2.87Å; E46-R163 IonicContact OE2-CZ 3.65Å; E46-R163 IonicContact OE2-NE 3.76Å; E46-R163 PolarHBondContact OE2-NE 3.39Å; E46-R163 IonicContact OE2-NH2 2.75Å; E46-R163 PolarHBondContact OE2-NH2 3.16Å; E46-R163 VanDerWaalsContact OE2-NH2 3.16Å; E46-V199 HydrophobicContact CB-CG2 4.09Å; E46-V199 HydrophobicContact CG-CG2 3.82Å
47K85.7Confident88.2Confident35 Ų3568.9 Ų68.915%0.15234%0.338CS..PPolyproline II helixtrans-95.3131.4172.2-172.5177.5175.3-172.60109V45 E56 N205V45-K47 PolarHBondContact O-N 3.39Å; K47-E56 VanDerWaalsContact NZ-CD 3.28Å; K47-E56 IonicContact NZ-OE2 3.16Å; K47-E56 PolarHBondContact NZ-OE2 3.27Å; K47-N205 PolarHBondContact N-O 3.29Å; K47-N205 WeakPolarHBondContact O-CA 3.24Å; K47-N205 VanDerWaalsContact O-CB 3.25Å; K47-N205 WeakPolarHBondContact O-CB 3.23Å
48K76.5Confident87.6Confident136 Ų13672.8 Ų72.859%0.59136%0.361SS*.PPolyproline II helixtrans-74.3135165.9-70.4-172.4178.7-176.20107.9V50K48-V50 PolarHBondContact O-N 2.89Å
49S70.7Confident87.2Confident99 Ų9968.5 Ų68.569%0.69235%0.351SS*.PPolyproline II helixtrans-50.6117.8171.7-172.90000108.9
50V71.7Confident87Confident26 Ų2669.4 Ų69.416%0.15835%0.347CS..PPolyproline II helixtrans-77.8151.3177.9-66.70000109.1K48 Q54 E56 V59K48-V50 PolarHBondContact O-N 2.89Å; V50-Q54 HydrophobicContact CB-CB 4.16Å; V50-Q54 HydrophobicContact CB-CG 4.28Å; V50-Q54 HydrophobicContact CG1-CG 4.44Å; V50-E56 HydrophobicContact CG2-CG 3.54Å; V50-V59 HydrophobicContact CG1-CG1 4.45Å; V50-V59 HydrophobicContact CG1-CG2 3.65Å
51A80.6Confident86.8Confident64 Ų6470.8 Ų70.853%0.52935%0.353SS..PPolyproline II helixtrans-58.9145.9170.200000109.5L53 Q54A51-L53 PolarHBondContact O-N 2.96Å; A51-Q54 HydrophobicContact CB-CB 4.46Å; A51-Q54 WeakPolarHBondContact O-CB 3.44Å; A51-Q54 PolarHBondContact O-N 2.91Å
52K83.3Confident86.8Confident220 Ų22071 Ų7196%0.95735%0.354SS*.THydrogen-bonded Turntrans-55-22.7-179-67.7-176.5178.3-179.10114.2
53L90.8Very high86.7Confident178 Ų17872.2 Ų72.293%0.93236%0.362SS*.THydrogen-bonded Turntrans-90.2-3.8179.5-59178000113.6A51A51-L53 PolarHBondContact O-N 2.96Å
54Q85Confident86.6Confident89 Ų8974.1 Ų74.142%0.41638%0.378SS..SBendtrans-97.1130.7-175.7-179170.215.200110.9V50 A51 E56 V59V50-Q54 HydrophobicContact CB-CB 4.16Å; V50-Q54 HydrophobicContact CB-CG 4.28Å; V50-Q54 HydrophobicContact CG1-CG 4.44Å; A51-Q54 HydrophobicContact CB-CB 4.46Å; A51-Q54 WeakPolarHBondContact O-CB 3.44Å; A51-Q54 PolarHBondContact O-N 2.91Å; Q54-E56 PolarHBondContact O-N 2.89Å; Q54-V59 VanDerWaalsContact NE2-CG1 3.31Å
55D85.1Confident86.6Confident84 Ų8474.5 Ų74.545%0.44938%0.38SS..  trans-67.9112.1174.6179.6-2.2000110.6R57 T58D55-R57 PolarHBondContact O-N 3.49Å; D55-R57 WeakPolarHBondContact OD1-CB 3.42Å; D55-R57 PolarHBondContact OD1-N 3.01Å; D55-R57 IonicContact OD2-NE 3.44Å; D55-R57 IonicContact OD2-NH2 3.96Å; D55-T58 HydrophobicContact CB-CG2 4.02Å; D55-T58 PolarHBondContact O-N 3.33Å; D55-T58 VanDerWaalsContact O-N 3.12Å; D55-T58 PolarHBondContact O-OG1 2.85Å
56E81.1Confident86.6Confident104 Ų10475 Ų7549%0.48638%0.383SS..G310 helixtrans-56.2-30.3178.7-72.6-167.1-169.500114K47 V50 Q54 T58 V59K47-E56 VanDerWaalsContact NZ-CD 3.28Å; K47-E56 IonicContact NZ-OE2 3.16Å; K47-E56 PolarHBondContact NZ-OE2 3.27Å; V50-E56 HydrophobicContact CG2-CG 3.54Å; Q54-E56 PolarHBondContact O-N 2.89Å; E56-T58 PolarHBondContact O-N 2.93Å; E56-V59 VanDerWaalsContact O-CG2 3.28Å; E56-V59 WeakPolarHBondContact O-CG2 3.43Å; E56-V59 PolarHBondContact O-N 2.93Å
57R82.1Confident86.7Confident164 Ų16480.1 Ų80.162%0.61941%0.41SS*.G310 helixtrans-63.3-26.1-179.7-171.3-175.66294.13.6112.1D55D55-R57 PolarHBondContact O-N 3.49Å; D55-R57 WeakPolarHBondContact OD1-CB 3.42Å; D55-R57 PolarHBondContact OD1-N 3.01Å; D55-R57 IonicContact OD2-NE 3.44Å; D55-R57 IonicContact OD2-NH2 3.96Å
58T84.2Confident87.2Confident85 Ų8579.8 Ų79.852%0.52141%0.41SS..G310 helixtrans-81.4-14.8-172.666.30000114.3D55 E56D55-T58 HydrophobicContact CB-CG2 4.02Å; D55-T58 PolarHBondContact O-N 3.33Å; D55-T58 VanDerWaalsContact O-N 3.12Å; D55-T58 PolarHBondContact O-OG1 2.85Å; E56-T58 PolarHBondContact O-N 2.93Å
59V83.3Confident88.2Confident48 Ų4873.3 Ų73.329%0.29138%0.382SS..G310 helixtrans-109.212.1-172.6-650000114.1V50 Q54 E56V50-V59 HydrophobicContact CG1-CG1 4.45Å; V50-V59 HydrophobicContact CG1-CG2 3.65Å; Q54-V59 VanDerWaalsContact NE2-CG1 3.31Å; E56-V59 VanDerWaalsContact O-CG2 3.28Å; E56-V59 WeakPolarHBondContact O-CG2 3.43Å; E56-V59 PolarHBondContact O-N 2.93Å
60R88.2Confident89.4Confident113 Ų11368.7 Ų68.743%0.42635%0.35SS..  trans-60.9141.1179.3-64.5-173.2175.9178.9-1.3111.3E207 I219R60-E207 WeakPolarHBondContact CG-OE2 3.48Å; R60-I219 VanDerWaalsContact NH1-CD1 3.29Å
61K94.4Very high90.7Very high29 Ų2967.5 Ų67.513%0.12634%0.342CS..  trans-110.7-11.7178.3-71.7-167.7170.4-171.10113.1S30 V45 A72 F73 E207S30-K61 VanDerWaalsContact CB-NZ 3.29Å; S30-K61 PolarHBondContact OG-NZ 2.9Å; V45-K61 HydrophobicContact CB-CB 4.45Å; V45-K61 HydrophobicContact CG1-CB 3.82Å; V45-K61 HydrophobicContact CG1-CD 3.78Å; V45-K61 HydrophobicContact CG1-CG 4.33Å; V45-K61 HydrophobicContact CG2-CB 4.34Å; K61-A72 WeakPolarHBondContact O-CA 3.41Å; K61-F73 HydrophobicContact CB-CE1 4.31Å; K61-F73 HydrophobicContact CB-CZ 4.47Å; K61-F73 HydrophobicContact CG-CE1 4.45Å; K61-F73 HydrophobicContact CG-CZ 4.13Å; K61-F73 WeakPolarHBondContact O-CD1 3.28Å; K61-E207 PolarHBondContact N-OE1 3.29Å
62I96.9Very high91.5Very high6 Ų664.4 Ų64.43%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-93.8125171-51.1176.9000108.3L43 V45 M71 A72 E207 A209 L217L43-I62 HydrophobicContact CB-CD1 4.03Å; L43-I62 HydrophobicContact CB-CG1 4.48Å; L43-I62 HydrophobicContact CD1-CG2 4.16Å; L43-I62 WeakPolarHBondContact O-CD1 3.32Å; V45-I62 HydrophobicContact CG2-CD1 4.02Å; V45-I62 HydrophobicContact CG2-CG1 3.62Å; I62-M71 CarbonylContact C-O 3.36Å; I62-M71 WeakPolarHBondContact CA-O 3.48Å; I62-A72 HydrophobicContact CG1-CB 4.36Å; I62-E207 HydrophobicContact CD1-CG 4.19Å; I62-E207 PolarHBondContact N-OE1 3.21Å; I62-A209 HydrophobicContact CB-CB 4.41Å; I62-A209 HydrophobicContact CD1-CB 3.54Å; I62-A209 HydrophobicContact CG2-CB 3.77Å; I62-L217 HydrophobicContact CG2-CD2 4.38Å
63C95.9Very high92.2Very high26 Ų2654.1 Ų54.118%0.17627%0.272CS..EExtended strand (participates in β ladder)trans-131.6131.8-175.7-70.30000110.4C70 M71 I84C63-C70 CarbonylContact O-C 3.53Å; C63-C70 WeakPolarHBondContact O-CA 3.34Å; C63-C70 WeakPolarHBondContact O-CB 3.25Å; C63-M71 PolarHBondContact N-O 3.02Å; C63-M71 PolarHBondContact O-N 3Å; C63-I84 HydrophobicContact CB-CD1 3.98Å; C63-I84 HydrophobicContact CB-CG1 4.43Å; C63-I84 HydrophobicContact CB-CG2 4.37Å
64A96.7Very high92.6Very high42 Ų4245.7 Ų45.735%0.34723%0.228SC..EExtended strand (participates in β ladder)trans-72.3131.7167.600000110R88 L217A64-R88 PolarHBondContact O-NE 2.86Å; A64-R88 PolarHBondContact O-NH2 2.94Å; A64-L217 HydrophobicContact CB-CD2 4.24Å
65L97.3Very high93.1Very high7 Ų742 Ų424%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-97.3-42.4172.6-60.3-174.4000110.6V69 M71 I84 A87 R88 I107 I111L65-V69 HydrophobicContact CB-CB 4.39Å; L65-V69 HydrophobicContact CB-CG1 4.3Å; L65-V69 HydrophobicContact CD1-CG1 4.08Å; L65-V69 PolarHBondContact N-O 3.04Å; L65-M71 HydrophobicContact CD1-CB 4Å; L65-M71 HydrophobicContact CD1-SD 4.42Å; L65-M71 HydrophobicContact CD2-CB 4.3Å; L65-M71 HydrophobicContact CD2-SD 4.34Å; L65-M71 HydrophobicContact CG-CB 4.05Å; L65-I84 HydrophobicContact CD2-CB 4.4Å; L65-I84 HydrophobicContact CD2-CG1 4.4Å; L65-I84 HydrophobicContact CD2-CG2 3.99Å; L65-A87 HydrophobicContact CD1-CB 4.05Å; L65-A87 HydrophobicContact CD2-CB 4.05Å; L65-R88 WeakPolarHBondContact O-CG 3.29Å; L65-I107 HydrophobicContact CD1-CG1 4.3Å; L65-I111 HydrophobicContact CD1-CD1 4.19Å
66D96.4Very high93.7Very high14 Ų1441.8 Ų41.88%0.07521%0.212CC..EExtended strand (participates in β ladder)trans-148.1179.9171.8-155.9-5.2000108.4N68 V69 C91 R95D66-N68 VanDerWaalsContact C-N 3.26Å; D66-N68 PolarHBondContact O-N 3.43Å; D66-V69 PolarHBondContact N-O 3.35Å; D66-V69 PolarHBondContact O-N 3.35Å; D66-C91 HydrophobicContact CB-CB 4.11Å; D66-R95 IonicContact OD1-CZ 2.79Å; D66-R95 IonicContact OD1-NH2 3.27Å; D66-R95 PolarHBondContact OD1-NH2 3.42Å; D66-R95 IonicContact OD2-CZ 3.31Å; D66-R95 IonicContact OD2-NE 3.73Å; D66-R95 IonicContact OD2-NH2 2.79Å; D66-R95 PolarHBondContact OD2-NH2 3.37Å
67D94.9Very high94.4Very high113 Ų11340.6 Ų40.660%0.60421%0.212SC*.THydrogen-bonded Turntrans-58-39-178.6-59.3-46000112.6R95D67-R95 IonicContact OD2-CZ 2.69Å; D67-R95 IonicContact OD2-NH1 2.73Å; D67-R95 IonicContact OD2-NH2 3.7Å; D67-R95 PolarHBondContact OD2-NH2 3.21Å
68N95.3Very high95Very high29 Ų2936.2 Ų36.216%0.15521%0.211CC..THydrogen-bonded Turntrans-98.71-177.370.4-46.2000114.2D66 V102 G135 F136D66-N68 VanDerWaalsContact C-N 3.26Å; D66-N68 PolarHBondContact O-N 3.43Å; N68-V102 PolarHBondContact ND2-O 2.7Å; N68-G135 WeakPolarHBondContact O-CA 3.39Å; N68-F136 PolarHBondContact ND2-O 3.16Å; N68-F136 PolarHBondContact O-N 2.85Å; N68-F136 VanDerWaalsContact O-N 3.15Å
69V97.6Very high95.7Very high0 Ų032.6 Ų32.60%019%0.189CC..EExtended strand (participates in β ladder)trans-136.3128.5-175.5-172.70000112.1L65 D66 V102 V104 I107 I133 V134L65-V69 HydrophobicContact CB-CB 4.39Å; L65-V69 HydrophobicContact CB-CG1 4.3Å; L65-V69 HydrophobicContact CD1-CG1 4.08Å; L65-V69 PolarHBondContact N-O 3.04Å; D66-V69 PolarHBondContact N-O 3.35Å; D66-V69 PolarHBondContact O-N 3.35Å; V69-V102 HydrophobicContact CG2-CG2 4Å; V69-V104 HydrophobicContact CG2-CG2 4.26Å; V69-I107 HydrophobicContact CG1-CG2 4.01Å; V69-I107 HydrophobicContact CG2-CG2 4.45Å; V69-I133 HydrophobicContact CG1-CG2 3.79Å; V69-V134 WeakPolarHBondContact CA-O 3.42Å
70C97.7Very high96.4Very high2 Ų230.3 Ų30.31%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-128.9163.5168.573.20000112.6C63 V134 M211 L217C63-C70 CarbonylContact O-C 3.53Å; C63-C70 WeakPolarHBondContact O-CA 3.34Å; C63-C70 WeakPolarHBondContact O-CB 3.25Å; C70-V134 PolarHBondContact N-O 3.46Å; C70-V134 PolarHBondContact O-N 2.83Å; C70-V134 VanDerWaalsContact O-O 3.1Å; C70-V134 WeakPolarHBondContact SG-CG2 3.35Å; C70-M211 HydrophobicContact CB-CE 3.94Å; C70-L217 HydrophobicContact CB-CD1 4.15Å; C70-L217 HydrophobicContact CB-CD2 3.93Å
71M98Very high96.8Very high0 Ų032.8 Ų32.80%018%0.184CC..EExtended strand (participates in β ladder)trans-137.1131.6-172.4178.3-169.6175.200109.8I62 C63 L65 F73 V83 I84 I129 A131 L132 I133I62-M71 CarbonylContact C-O 3.36Å; I62-M71 WeakPolarHBondContact CA-O 3.48Å; C63-M71 PolarHBondContact N-O 3.02Å; C63-M71 PolarHBondContact O-N 3Å; L65-M71 HydrophobicContact CD1-CB 4Å; L65-M71 HydrophobicContact CD1-SD 4.42Å; L65-M71 HydrophobicContact CD2-CB 4.3Å; L65-M71 HydrophobicContact CD2-SD 4.34Å; L65-M71 HydrophobicContact CG-CB 4.05Å; M71-F73 HydrophobicContact CE-CB 4.26Å; M71-V83 HydrophobicContact CE-CG1 4.14Å; M71-I84 HydrophobicContact CE-CG1 4.46Å; M71-I84 HydrophobicContact SD-CG1 3.8Å; M71-I129 HydrophobicContact CE-CD1 4.09Å; M71-A131 HydrophobicContact CE-CB 3.25Å; M71-A131 HydrophobicContact CG-CB 4.08Å; M71-A131 HydrophobicContact SD-CB 4.38Å; M71-L132 CarbonylContact C-O 3.59Å; M71-L132 VanDerWaalsContact CA-O 3.31Å; M71-L132 WeakPolarHBondContact CA-O 3.37Å; M71-I133 HydrophobicContact CG-CG1 4.21Å
72A98.3Very high97Very high0 Ų035.1 Ų35.10%020%0.197CC..EExtended strand (participates in β ladder)trans-107.9152.6161.300000110A32 L43 V45 K61 I62 A131 L132A32-A72 HydrophobicContact CB-CB 4.38Å; L43-A72 HydrophobicContact CD1-CB 3.86Å; L43-A72 HydrophobicContact CD2-CB 4.06Å; L43-A72 HydrophobicContact CG-CB 4.38Å; V45-A72 HydrophobicContact CG2-CB 3.9Å; K61-A72 WeakPolarHBondContact O-CA 3.41Å; I62-A72 HydrophobicContact CG1-CB 4.36Å; A72-A131 CarbonylContact O-C 3.53Å; A72-A131 VanDerWaalsContact O-CA 3.28Å; A72-A131 WeakPolarHBondContact O-CA 3.5Å; A72-L132 PolarHBondContact N-O 2.98Å; A72-L132 PolarHBondContact O-N 3.41Å
73F98.1Very high97.1Very high4 Ų434.9 Ų34.92%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-141156179.568.8-89.3000113.4K61 M71 T77 A80 I84 S130K61-F73 HydrophobicContact CB-CE1 4.31Å; K61-F73 HydrophobicContact CB-CZ 4.47Å; K61-F73 HydrophobicContact CG-CE1 4.45Å; K61-F73 HydrophobicContact CG-CZ 4.13Å; K61-F73 WeakPolarHBondContact O-CD1 3.28Å; M71-F73 HydrophobicContact CE-CB 4.26Å; F73-T77 HydrophobicContact CE2-CG2 4.5Å; F73-T77 HydrophobicContact CZ-CG2 4.17Å; F73-A80 HydrophobicContact CB-CB 4.47Å; F73-A80 HydrophobicContact CD1-CB 3.77Å; F73-A80 HydrophobicContact CD2-CB 3.37Å; F73-A80 HydrophobicContact CE1-CB 3.76Å; F73-A80 HydrophobicContact CE2-CB 3.37Å; F73-A80 HydrophobicContact CG-CB 3.59Å; F73-A80 HydrophobicContact CZ-CB 3.57Å; F73-I84 HydrophobicContact CD1-CD1 4.26Å; F73-I84 HydrophobicContact CE1-CD1 4.13Å; F73-S130 VanDerWaalsContact CA-O 3.3Å; F73-S130 WeakPolarHBondContact CA-O 3.17Å; F73-S130 WeakPolarHBondContact CB-O 3.49Å
74A97.6Very high97.2Very high0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans-127.1142.8168.800000109.8V26 S30 I129 S130 I161V26-A74 HydrophobicContact CG1-CB 4.19Å; S30-A74 WeakPolarHBondContact O-CB 3.46Å; A74-I129 WeakPolarHBondContact O-CA 3.28Å; A74-S130 PolarHBondContact N-O 3.14Å; A74-S130 PolarHBondContact O-N 3.21Å; A74-I161 HydrophobicContact CB-CB 4.43Å; A74-I161 HydrophobicContact CB-CD1 3.82Å; A74-I161 HydrophobicContact CB-CG1 3.92Å
75G96.6Very high97.3Very high11 Ų1135.9 Ų35.911%0.11319%0.194CC..EExtended strand (participates in β ladder)trans119-147.1-176.100000112.7T77 G128G75-T77 PolarHBondContact O-N 3.05Å; G75-G128 VanDerWaalsContact CA-O 3.32Å; G75-G128 WeakPolarHBondContact CA-O 3.25Å
76L96.5Very high97.3Very high80 Ų8040.1 Ų40.142%0.41921%0.209SC..  trans-73.8116.9-175.9-61.5178.8000112.5A78 D79 A80 G128 I129L76-A78 VanDerWaalsContact C-N 3.31Å; L76-A78 PolarHBondContact O-N 3.41Å; L76-D79 HydrophobicContact CB-CB 4.05Å; L76-D79 PolarHBondContact O-N 2.97Å; L76-A80 PolarHBondContact O-N 3.47Å; L76-A80 VanDerWaalsContact O-N 3.07Å; L76-G128 PolarHBondContact N-O 3.31Å; L76-I129 WeakPolarHBondContact O-CG2 2.95Å
77T95.5Very high97.4Very high80 Ų8039.4 Ų39.449%0.49121%0.206SC..Hα-helixtrans-61.7-35.1-178.8-51.70000113.7F73 G75 A80 R81F73-T77 HydrophobicContact CE2-CG2 4.5Å; F73-T77 HydrophobicContact CZ-CG2 4.17Å; G75-T77 PolarHBondContact O-N 3.05Å; T77-A80 PolarHBondContact O-N 2.9Å; T77-R81 PolarHBondContact O-N 3.15Å; T77-R81 VanDerWaalsContact O-N 3.11Å
78A96.4Very high97.6Very high72 Ų7238.7 Ų38.760%0.59519%0.194SC*.Hα-helixtrans-65.3-44.3178.400000111.7L76 R81 I82L76-A78 VanDerWaalsContact C-N 3.31Å; L76-A78 PolarHBondContact O-N 3.41Å; A78-R81 PolarHBondContact O-N 3.15Å; A78-I82 PolarHBondContact O-N 3.36Å
79D97.8Very high97.7Very high9 Ų942.3 Ų42.35%0.04822%0.217CC..Hα-helixtrans-62.1-43.8175.3-76.721.5000111L76 R81 I82 V83 R125 F127 G128 I129L76-D79 HydrophobicContact CB-CB 4.05Å; L76-D79 PolarHBondContact O-N 2.97Å; D79-R81 VanDerWaalsContact C-N 3.3Å; D79-R81 PolarHBondContact O-N 3.37Å; D79-I82 PolarHBondContact O-N 3.24Å; D79-I82 VanDerWaalsContact O-N 3.16Å; D79-V83 PolarHBondContact O-N 3.12Å; D79-R125 IonicContact OD1-CZ 3.83Å; D79-R125 IonicContact OD1-NH1 2.67Å; D79-R125 IonicContact OD1-NH2 3Å; D79-R125 PolarHBondContact OD1-NH2 3.44Å; D79-R125 IonicContact OD2-CZ 2.76Å; D79-R125 IonicContact OD2-NH1 3.63Å; D79-R125 PolarHBondContact OD2-NH1 2.97Å; D79-R125 IonicContact OD2-NH2 3.58Å; D79-R125 PolarHBondContact OD2-NH2 3.23Å; D79-F127 HydrophobicContact CB-CD1 3.94Å; D79-F127 WeakPolarHBondContact OD2-CA 3.28Å; D79-G128 PolarHBondContact OD2-N 3.2Å; D79-I129 HydrophobicContact CB-CG2 4.08Å
80A97.7Very high97.8Very high0 Ų043.7 Ų43.70%022%0.224CC..Hα-helixtrans-57.8-42.6177.700000112.3F73 L76 T77 I82 V83 I84 I129F73-A80 HydrophobicContact CB-CB 4.47Å; F73-A80 HydrophobicContact CD1-CB 3.77Å; F73-A80 HydrophobicContact CD2-CB 3.37Å; F73-A80 HydrophobicContact CE1-CB 3.76Å; F73-A80 HydrophobicContact CE2-CB 3.37Å; F73-A80 HydrophobicContact CG-CB 3.59Å; F73-A80 HydrophobicContact CZ-CB 3.57Å; L76-A80 PolarHBondContact O-N 3.47Å; L76-A80 VanDerWaalsContact O-N 3.07Å; T77-A80 PolarHBondContact O-N 2.9Å; A80-I82 VanDerWaalsContact C-N 3.28Å; A80-I82 PolarHBondContact O-N 3.03Å; A80-V83 PolarHBondContact O-N 3.22Å; A80-I84 HydrophobicContact CB-CD1 4.4Å; A80-I84 WeakPolarHBondContact O-CB 3.43Å; A80-I84 WeakPolarHBondContact O-CD1 3.36Å; A80-I84 VanDerWaalsContact O-CG1 3.23Å; A80-I84 WeakPolarHBondContact O-CG1 3.42Å; A80-I84 PolarHBondContact O-N 3.19Å; A80-I129 HydrophobicContact CB-CD1 4.19Å; A80-I129 HydrophobicContact CB-CG2 4.19Å
81R97.5Very high97.8Very high165 Ų16543.6 Ų43.662%0.62322%0.223SC*.Hα-helixtrans-58.2-39.9178.2-174-179.4-65.8-143.9-0.9112.3T77 A78 D79 N85T77-R81 PolarHBondContact O-N 3.15Å; T77-R81 VanDerWaalsContact O-N 3.11Å; A78-R81 PolarHBondContact O-N 3.15Å; D79-R81 VanDerWaalsContact C-N 3.3Å; D79-R81 PolarHBondContact O-N 3.37Å; R81-N85 WeakPolarHBondContact O-CB 3.18Å; R81-N85 PolarHBondContact O-N 2.87Å; R81-N85 PolarHBondContact O-ND2 3.1Å
82I98.1Very high97.8Very high78 Ų7848.4 Ų48.440%0.425%0.246SC..Hα-helixtrans-65.4-46.3178-62.7173.4000110.2A78 D79 A80 N85 R86 F127A78-I82 PolarHBondContact O-N 3.36Å; D79-I82 PolarHBondContact O-N 3.24Å; D79-I82 VanDerWaalsContact O-N 3.16Å; A80-I82 VanDerWaalsContact C-N 3.28Å; A80-I82 PolarHBondContact O-N 3.03Å; I82-N85 PolarHBondContact O-N 3.45Å; I82-R86 PolarHBondContact O-N 3.17Å; I82-R86 VanDerWaalsContact O-N 3.07Å; I82-F127 HydrophobicContact CB-CE1 4.32Å; I82-F127 HydrophobicContact CG2-CE1 4.13Å; I82-F127 HydrophobicContact CG2-CZ 4.32Å
83V98.4Very high97.8Very high0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-62.9-45.5179.1174.80000111.1M71 D79 A80 N85 R86 A87 I111 L114 F127 I129M71-V83 HydrophobicContact CE-CG1 4.14Å; D79-V83 PolarHBondContact O-N 3.12Å; A80-V83 PolarHBondContact O-N 3.22Å; V83-N85 PolarHBondContact O-N 2.9Å; V83-R86 PolarHBondContact O-N 2.97Å; V83-A87 WeakPolarHBondContact O-CB 3.36Å; V83-A87 PolarHBondContact O-N 2.94Å; V83-I111 HydrophobicContact CG1-CG1 4.17Å; V83-I111 HydrophobicContact CG1-CG2 3.73Å; V83-L114 HydrophobicContact CG2-CD2 4.43Å; V83-F127 HydrophobicContact CG2-CD1 3.96Å; V83-F127 HydrophobicContact CG2-CD2 4.45Å; V83-F127 HydrophobicContact CG2-CE1 3.97Å; V83-F127 HydrophobicContact CG2-CE2 4.45Å; V83-F127 HydrophobicContact CG2-CG 4.19Å; V83-F127 HydrophobicContact CG2-CZ 4.21Å; V83-I129 HydrophobicContact CB-CD1 4.23Å; V83-I129 HydrophobicContact CG1-CD1 4.47Å; V83-I129 HydrophobicContact CG2-CD1 4.07Å
84I98.4Very high97.8Very high9 Ų952.3 Ų52.35%0.04627%0.27CS..Hα-helixtrans-59.1-47.1178.4-70.3160000111C63 L65 M71 F73 A80 R86 A87 R88C63-I84 HydrophobicContact CB-CD1 3.98Å; C63-I84 HydrophobicContact CB-CG1 4.43Å; C63-I84 HydrophobicContact CB-CG2 4.37Å; L65-I84 HydrophobicContact CD2-CB 4.4Å; L65-I84 HydrophobicContact CD2-CG1 4.4Å; L65-I84 HydrophobicContact CD2-CG2 3.99Å; M71-I84 HydrophobicContact CE-CG1 4.46Å; M71-I84 HydrophobicContact SD-CG1 3.8Å; F73-I84 HydrophobicContact CD1-CD1 4.26Å; F73-I84 HydrophobicContact CE1-CD1 4.13Å; A80-I84 HydrophobicContact CB-CD1 4.4Å; A80-I84 WeakPolarHBondContact O-CB 3.43Å; A80-I84 WeakPolarHBondContact O-CD1 3.36Å; A80-I84 VanDerWaalsContact O-CG1 3.23Å; A80-I84 WeakPolarHBondContact O-CG1 3.42Å; A80-I84 PolarHBondContact O-N 3.19Å; I84-R86 PolarHBondContact O-N 3.06Å; I84-A87 PolarHBondContact O-N 2.71Å; I84-R88 WeakPolarHBondContact O-CG 3.37Å; I84-R88 PolarHBondContact O-N 3.17Å
85N98.3Very high97.8Very high81 Ų8156.2 Ų56.243%0.43329%0.285SS..Hα-helixtrans-65.6-40-179.5-74.1-14.7000112.1R81 I82 V83 R88 V89R81-N85 WeakPolarHBondContact O-CB 3.18Å; R81-N85 PolarHBondContact O-N 2.87Å; R81-N85 PolarHBondContact O-ND2 3.1Å; I82-N85 PolarHBondContact O-N 3.45Å; V83-N85 PolarHBondContact O-N 2.9Å; N85-R88 PolarHBondContact O-N 3.4Å; N85-V89 WeakPolarHBondContact O-CG2 3.45Å; N85-V89 PolarHBondContact O-N 2.82Å; N85-V89 VanDerWaalsContact O-N 3.16Å
86R98.3Very high97.8Very high95 Ų9562.7 Ų62.736%0.35832%0.316SS..Hα-helixtrans-64.6-41.8174.7-74.3-167.7176.8179.94.4112.1I82 V83 I84 V89 E90 Y110 L114 Y118I82-R86 PolarHBondContact O-N 3.17Å; I82-R86 VanDerWaalsContact O-N 3.07Å; V83-R86 PolarHBondContact O-N 2.97Å; I84-R86 PolarHBondContact O-N 3.06Å; R86-V89 PolarHBondContact O-N 2.97Å; R86-E90 WeakPolarHBondContact O-CB 3.43Å; R86-E90 PolarHBondContact O-N 2.67Å; R86-Y110 HydrophobicContact CB-CE1 4.29Å; R86-L114 HydrophobicContact CB-CD2 4.04Å; R86-L114 HydrophobicContact CG-CD2 4.48Å; R86-Y118 PolarHBondContact NH1-OH 2.83Å; R86-Y118 PolarHBondContact NH2-OH 3.21Å
87A98.6Very high97.9Very high0 Ų064.1 Ų64.10%033%0.329CS..Hα-helixtrans-62.9-42176.900000112L65 V83 I84 V89 E90 C91 I107 I111L65-A87 HydrophobicContact CD1-CB 4.05Å; L65-A87 HydrophobicContact CD2-CB 4.05Å; V83-A87 WeakPolarHBondContact O-CB 3.36Å; V83-A87 PolarHBondContact O-N 2.94Å; I84-A87 PolarHBondContact O-N 2.71Å; A87-V89 PolarHBondContact O-N 3.02Å; A87-E90 WeakPolarHBondContact O-CB 3.45Å; A87-E90 PolarHBondContact O-N 2.89Å; A87-C91 PolarHBondContact O-N 3.33Å; A87-C91 PolarHBondContact O-SG 3.18Å; A87-I107 HydrophobicContact CB-CD1 4.01Å; A87-I107 HydrophobicContact CB-CG1 4.34Å; A87-I111 HydrophobicContact CB-CD1 3.94Å; A87-I111 HydrophobicContact CB-CG1 4.09Å
88R98.6Very high98Very high98 Ų9863.8 Ų63.837%0.3733%0.326SS..Hα-helixtrans-59.6-45.2175.1-76171.8174.9165.8-3.1112.6A64 L65 I84 N85 E90 C91 Q92A64-R88 PolarHBondContact O-NE 2.86Å; A64-R88 PolarHBondContact O-NH2 2.94Å; L65-R88 WeakPolarHBondContact O-CG 3.29Å; I84-R88 WeakPolarHBondContact O-CG 3.37Å; I84-R88 PolarHBondContact O-N 3.17Å; N85-R88 PolarHBondContact O-N 3.4Å; R88-E90 VanDerWaalsContact C-N 3.31Å; R88-E90 PolarHBondContact O-N 3.14Å; R88-C91 PolarHBondContact O-N 3.19Å; R88-Q92 WeakPolarHBondContact O-CG 3.03Å; R88-Q92 PolarHBondContact O-N 3.01Å
89V98.5Very high98Very high104 Ų10468.7 Ų68.763%0.6334%0.337SS*.Hα-helixtrans-62-42.4176.3172.70000110.7N85 R86 A87 Q92 S93N85-V89 WeakPolarHBondContact O-CG2 3.45Å; N85-V89 PolarHBondContact O-N 2.82Å; N85-V89 VanDerWaalsContact O-N 3.16Å; R86-V89 PolarHBondContact O-N 2.97Å; A87-V89 PolarHBondContact O-N 3.02Å; V89-Q92 PolarHBondContact O-N 3.47Å; V89-S93 WeakPolarHBondContact O-CB 3.34Å; V89-S93 PolarHBondContact O-N 3.28Å
90E98.6Very high97.8Very high30 Ų3072.8 Ų72.814%0.1436%0.359CS..Hα-helixtrans-61-43.7176.4-177.363.7-159.700112.3R86 A87 R88 Q92 S93 H94 Y106 I107 Y110R86-E90 WeakPolarHBondContact O-CB 3.43Å; R86-E90 PolarHBondContact O-N 2.67Å; A87-E90 WeakPolarHBondContact O-CB 3.45Å; A87-E90 PolarHBondContact O-N 2.89Å; R88-E90 VanDerWaalsContact C-N 3.31Å; R88-E90 PolarHBondContact O-N 3.14Å; E90-Q92 VanDerWaalsContact C-N 3.3Å; E90-Q92 PolarHBondContact O-N 2.95Å; E90-S93 PolarHBondContact O-N 3.1Å; E90-H94 WeakPolarHBondContact O-CB 3.42Å; E90-H94 PolarHBondContact O-N 2.97Å; E90-Y106 HydrophobicContact CG-CE1 4.07Å; E90-Y106 WeakPolarHBondContact OE1-CE1 3.49Å; E90-Y106 PolarHBondContact OE1-OH 2.98Å; E90-I107 HydrophobicContact CB-CD1 4.04Å; E90-I107 HydrophobicContact CG-CD1 3.97Å; E90-Y110 HydrophobicContact CB-CD1 4.03Å; E90-Y110 HydrophobicContact CB-CD2 4.28Å; E90-Y110 HydrophobicContact CB-CE1 3.84Å; E90-Y110 HydrophobicContact CB-CE2 4.06Å; E90-Y110 HydrophobicContact CB-CG 4.25Å; E90-Y110 HydrophobicContact CG-CD1 3.95Å; E90-Y110 HydrophobicContact CG-CD2 3.59Å; E90-Y110 HydrophobicContact CG-CE1 4.16Å; E90-Y110 HydrophobicContact CG-CE2 3.79Å; E90-Y110 HydrophobicContact CG-CG 3.66Å; E90-Y110 WeakPolarHBondContact OE2-CE2 3.42Å
91C98.2Very high97.7Very high0 Ų075.2 Ų75.20%038%0.375CS..Hα-helixtrans-57.1-44.7176.3-63.30000111.6D66 A87 R88 H94 R95 V102D66-C91 HydrophobicContact CB-CB 4.11Å; A87-C91 PolarHBondContact O-N 3.33Å; A87-C91 PolarHBondContact O-SG 3.18Å; R88-C91 PolarHBondContact O-N 3.19Å; C91-H94 PolarHBondContact O-N 3.38Å; C91-R95 WeakPolarHBondContact O-CB 3.48Å; C91-R95 PolarHBondContact O-N 2.9Å; C91-V102 HydrophobicContact CB-CG1 4.36Å; C91-V102 HydrophobicContact CB-CG2 4.34Å
92Q98.1Very high97.7Very high101 Ų10167.5 Ų67.547%0.47235%0.346SS..Hα-helixtrans-69.8-37.6178.6-59.5-51.6-54.400112.3R88 V89 E90 R95 L96R88-Q92 WeakPolarHBondContact O-CG 3.03Å; R88-Q92 PolarHBondContact O-N 3.01Å; V89-Q92 PolarHBondContact O-N 3.47Å; E90-Q92 VanDerWaalsContact C-N 3.3Å; E90-Q92 PolarHBondContact O-N 2.95Å; Q92-R95 PolarHBondContact O-N 3.03Å; Q92-L96 WeakPolarHBondContact O-CB 3.43Å; Q92-L96 PolarHBondContact O-N 3.29Å
93S98.4Very high97.7Very high59 Ų5966.9 Ų66.941%0.41335%0.345SS..Hα-helixtrans-63.4-41.9175.4-168.40000111.9V89 E90 L96 T97V89-S93 WeakPolarHBondContact O-CB 3.34Å; V89-S93 PolarHBondContact O-N 3.28Å; E90-S93 PolarHBondContact O-N 3.1Å; S93-L96 PolarHBondContact O-N 3.28Å; S93-T97 PolarHBondContact O-N 2.89Å; S93-T97 PolarHBondContact O-OG1 2.8Å
94H98.2Very high97.7Very high27 Ų2766.9 Ų66.913%0.12535%0.345CS..Hα-helixtrans-62.9-49.6174.6-178.2-79.6000110.7E90 C91 L96 T97 V98 D100 V102 Y106E90-H94 WeakPolarHBondContact O-CB 3.42Å; E90-H94 PolarHBondContact O-N 2.97Å; C91-H94 PolarHBondContact O-N 3.38Å; H94-L96 VanDerWaalsContact C-N 3.26Å; H94-L96 PolarHBondContact O-N 3.15Å; H94-T97 PolarHBondContact O-N 3.24Å; H94-V98 WeakPolarHBondContact O-CB 3.48Å; H94-V98 PolarHBondContact O-N 2.99Å; H94-D100 PolarHBondContact ND1-O 3.26Å; H94-D100 VanDerWaalsContact ND1-O 3.1Å; H94-V102 HydrophobicContact CB-CG1 3.58Å; H94-Y106 HydrophobicContact CB-CE1 4.3Å; H94-Y106 AromaticContact CD2-CD1 4Å; H94-Y106 AromaticContact CD2-CE1 3.66Å; H94-Y106 AromaticContact CD2-CE2 3.94Å; H94-Y106 AromaticContact CD2-CZ 3.65Å
95R96.8Very high97.7Very high81 Ų8169.9 Ų69.931%0.30636%0.36SS..Hα-helixtrans-57.6-38.6178.8-169179.3-70.3-157.42.2112.1D66 D67 C91 Q92 T97 E99D66-R95 IonicContact OD1-CZ 2.79Å; D66-R95 IonicContact OD1-NH2 3.27Å; D66-R95 PolarHBondContact OD1-NH2 3.42Å; D66-R95 IonicContact OD2-CZ 3.31Å; D66-R95 IonicContact OD2-NE 3.73Å; D66-R95 IonicContact OD2-NH2 2.79Å; D66-R95 PolarHBondContact OD2-NH2 3.37Å; D67-R95 IonicContact OD2-CZ 2.69Å; D67-R95 IonicContact OD2-NH1 2.73Å; D67-R95 IonicContact OD2-NH2 3.7Å; D67-R95 PolarHBondContact OD2-NH2 3.21Å; C91-R95 WeakPolarHBondContact O-CB 3.48Å; C91-R95 PolarHBondContact O-N 2.9Å; Q92-R95 PolarHBondContact O-N 3.03Å; R95-T97 VanDerWaalsContact C-N 3.35Å; R95-E99 WeakPolarHBondContact O-CA 3.16Å; R95-E99 PolarHBondContact O-N 3.26Å
96L97.9Very high97.7Very high147 Ų14769 Ų6977%0.7735%0.35SS*.Hα-helixtrans-67.2-33.7176.1-179.162.9000113.2Q92 S93 H94Q92-L96 WeakPolarHBondContact O-CB 3.43Å; Q92-L96 PolarHBondContact O-N 3.29Å; S93-L96 PolarHBondContact O-N 3.28Å; H94-L96 VanDerWaalsContact C-N 3.26Å; H94-L96 PolarHBondContact O-N 3.15Å
97T97.8Very high97.7Very high111 Ų11164.4 Ų64.468%0.68133%0.333SS*.Hα-helixtrans-91.2-36.7-172.8-51.60000112.6S93 H94 R95S93-T97 PolarHBondContact O-N 2.89Å; S93-T97 PolarHBondContact O-OG1 2.8Å; H94-T97 PolarHBondContact O-N 3.24Å; R95-T97 VanDerWaalsContact C-N 3.35Å
98V97.1Very high97.7Very high73 Ų7364.4 Ų64.444%0.44233%0.333SS..Hα-helixtrans-104.9-12.2-172.1-172.80000111.3H94 D100H94-V98 WeakPolarHBondContact O-CB 3.48Å; H94-V98 PolarHBondContact O-N 2.99Å; V98-D100 HydrophobicContact CG1-CB 4.35Å; V98-D100 PolarHBondContact O-N 3.02Å
99E96.3Very high97.7Very high175 Ų17565.2 Ų65.282%0.81834%0.336SS*.SBendtrans61.7-1.3-174.9-57.4-170.9148.600115.1R95R95-E99 WeakPolarHBondContact O-CA 3.16Å; R95-E99 PolarHBondContact O-N 3.26Å
100D94.9Very high97.7Very high94 Ų9463.1 Ų63.150%0.50332%0.317SS..SBendtrans-113152.8174.6-77-42000112.6H94 V98H94-D100 PolarHBondContact ND1-O 3.26Å; H94-D100 VanDerWaalsContact ND1-O 3.1Å; V98-D100 HydrophobicContact CG1-CB 4.35Å; V98-D100 PolarHBondContact O-N 3.02Å
101P94.9Very high97.7Very high52 Ų5261.7 Ų61.734%0.33831%0.311SS..PPolyproline II helixtrans-63.9158.817229-35000111.7
102V97.1Very high97.7Very high2 Ų261.9 Ų61.91%0.01231%0.312CS..PPolyproline II helixtrans-67.2143.2178.7-68.20000111.6N68 V69 C91 H94 Y106 I107N68-V102 PolarHBondContact ND2-O 2.7Å; V69-V102 HydrophobicContact CG2-CG2 4Å; C91-V102 HydrophobicContact CB-CG1 4.36Å; C91-V102 HydrophobicContact CB-CG2 4.34Å; H94-V102 HydrophobicContact CB-CG1 3.58Å; V102-Y106 HydrophobicContact CB-CD1 4.2Å; V102-Y106 HydrophobicContact CG1-CD1 3.82Å; V102-Y106 HydrophobicContact CG1-CE1 4.17Å; V102-I107 HydrophobicContact CB-CB 4.49Å; V102-I107 HydrophobicContact CG2-CB 4.23Å; V102-I107 HydrophobicContact CG2-CG2 4.4Å
103T98Very high97.8Very high65 Ų6559.4 Ų59.440%0.39931%0.306SS..PPolyproline II helixtrans-72.9152.1161.265.70000110E105 Y106 I107 D137T103-E105 PolarHBondContact O-N 2.91Å; T103-Y106 PolarHBondContact O-N 3.03Å; T103-Y106 VanDerWaalsContact O-N 3.16Å; T103-Y106 VanDerWaalsContact OG1-CB 3.26Å; T103-Y106 WeakPolarHBondContact OG1-CB 3.47Å; T103-Y106 PolarHBondContact OG1-N 3.49Å; T103-I107 PolarHBondContact O-N 2.83Å; T103-D137 VanDerWaalsContact CA-OD1 3.26Å; T103-D137 WeakPolarHBondContact CA-OD1 3.27Å; T103-D137 VanDerWaalsContact CB-OD1 3.28Å; T103-D137 WeakPolarHBondContact CB-OD1 3.49Å
104V98.3Very high97.7Very high0 Ų057 Ų570%029%0.288CS..Hα-helixtrans-63.3-34.7-179.2-173.10000110.6V69 I107 T108 I133 D137 R143 Y145V69-V104 HydrophobicContact CG2-CG2 4.26Å; V104-I107 WeakPolarHBondContact O-CG2 3.18Å; V104-T108 VanDerWaalsContact O-CB 3.27Å; V104-T108 WeakPolarHBondContact O-CB 3.41Å; V104-T108 PolarHBondContact O-N 3.19Å; V104-T108 VanDerWaalsContact O-N 3.14Å; V104-T108 PolarHBondContact O-OG1 2.88Å; V104-I133 HydrophobicContact CG1-CG2 3.93Å; V104-D137 PolarHBondContact N-OD1 3.44Å; V104-R143 HydrophobicContact CB-CB 3.72Å; V104-R143 HydrophobicContact CB-CG 4.08Å; V104-R143 HydrophobicContact CG1-CB 3.87Å; V104-R143 HydrophobicContact CG2-CB 3.89Å; V104-R143 HydrophobicContact CG2-CG 4.16Å; V104-Y145 HydrophobicContact CG1-CD2 3.96Å
105E98.4Very high97.7Very high73 Ų7355.7 Ų55.734%0.34128%0.282SS..Hα-helixtrans-67-43.4175.2-169.5-175.9155.400112.1T103 I107 T108 R109 Y145 Y153T103-E105 PolarHBondContact O-N 2.91Å; E105-I107 PolarHBondContact O-N 2.83Å; E105-T108 WeakPolarHBondContact O-CB 3.43Å; E105-T108 PolarHBondContact O-N 2.86Å; E105-R109 WeakPolarHBondContact O-CB 3.46Å; E105-R109 PolarHBondContact O-N 2.95Å; E105-R109 IonicContact OE1-NH1 3.55Å; E105-Y145 HydrophobicContact CB-CE1 4.49Å; E105-Y145 HydrophobicContact CB-CE2 4.12Å; E105-Y145 HydrophobicContact CG-CE1 4.09Å; E105-Y145 PolarHBondContact OE2-OH 2.98Å; E105-Y153 HydrophobicContact CG-CE2 4.14Å; E105-Y153 PolarHBondContact OE1-OH 2.92Å
106Y98.5Very high97.8Very high61 Ų6154.9 Ų54.924%0.23928%0.282CS..Hα-helixtrans-56.4-52.8-179.3174.8-88.2000111.3E90 H94 V102 T103 T108 R109 Y110E90-Y106 HydrophobicContact CG-CE1 4.07Å; E90-Y106 WeakPolarHBondContact OE1-CE1 3.49Å; E90-Y106 PolarHBondContact OE1-OH 2.98Å; H94-Y106 HydrophobicContact CB-CE1 4.3Å; H94-Y106 AromaticContact CD2-CD1 4Å; H94-Y106 AromaticContact CD2-CE1 3.66Å; H94-Y106 AromaticContact CD2-CE2 3.94Å; H94-Y106 AromaticContact CD2-CZ 3.65Å; V102-Y106 HydrophobicContact CB-CD1 4.2Å; V102-Y106 HydrophobicContact CG1-CD1 3.82Å; V102-Y106 HydrophobicContact CG1-CE1 4.17Å; T103-Y106 PolarHBondContact O-N 3.03Å; T103-Y106 VanDerWaalsContact O-N 3.16Å; T103-Y106 VanDerWaalsContact OG1-CB 3.26Å; T103-Y106 WeakPolarHBondContact OG1-CB 3.47Å; T103-Y106 PolarHBondContact OG1-N 3.49Å; Y106-T108 VanDerWaalsContact C-N 3.31Å; Y106-T108 PolarHBondContact O-N 3.35Å; Y106-R109 WeakPolarHBondContact O-CB 3.26Å; Y106-R109 PolarHBondContact O-N 3.42Å; Y106-Y110 PolarHBondContact O-N 2.8Å
107I98.6Very high97.7Very high0 Ų054.9 Ų54.90%027%0.272CS..Hα-helixtrans-68.9-32.6-177.9-168.460.5000111.9L65 V69 A87 E90 V102 T103 V104 E105 Y110 I111 I133L65-I107 HydrophobicContact CD1-CG1 4.3Å; V69-I107 HydrophobicContact CG1-CG2 4.01Å; V69-I107 HydrophobicContact CG2-CG2 4.45Å; A87-I107 HydrophobicContact CB-CD1 4.01Å; A87-I107 HydrophobicContact CB-CG1 4.34Å; E90-I107 HydrophobicContact CB-CD1 4.04Å; E90-I107 HydrophobicContact CG-CD1 3.97Å; V102-I107 HydrophobicContact CB-CB 4.49Å; V102-I107 HydrophobicContact CG2-CB 4.23Å; V102-I107 HydrophobicContact CG2-CG2 4.4Å; T103-I107 PolarHBondContact O-N 2.83Å; V104-I107 WeakPolarHBondContact O-CG2 3.18Å; E105-I107 PolarHBondContact O-N 2.83Å; I107-Y110 HydrophobicContact CD1-CD1 4.27Å; I107-Y110 PolarHBondContact O-N 2.77Å; I107-I111 HydrophobicContact CG1-CD1 4.32Å; I107-I111 WeakPolarHBondContact O-CG1 3.35Å; I107-I111 PolarHBondContact O-N 2.83Å; I107-I133 HydrophobicContact CG2-CG2 4.39Å
108T98.7Very high97.6Very high0 Ų051.2 Ų51.20%025%0.246CC..Hα-helixtrans-60.6-47.6171.5-64.30000111.1V104 E105 Y106 Y110 I111 A112 I133 Y145 T147 Y153V104-T108 VanDerWaalsContact O-CB 3.27Å; V104-T108 WeakPolarHBondContact O-CB 3.41Å; V104-T108 PolarHBondContact O-N 3.19Å; V104-T108 VanDerWaalsContact O-N 3.14Å; V104-T108 PolarHBondContact O-OG1 2.88Å; E105-T108 WeakPolarHBondContact O-CB 3.43Å; E105-T108 PolarHBondContact O-N 2.86Å; Y106-T108 VanDerWaalsContact C-N 3.31Å; Y106-T108 PolarHBondContact O-N 3.35Å; T108-Y110 VanDerWaalsContact C-N 3.34Å; T108-Y110 PolarHBondContact O-N 3.18Å; T108-I111 PolarHBondContact O-N 3.19Å; T108-A112 WeakPolarHBondContact O-CB 3.47Å; T108-A112 PolarHBondContact O-N 3.32Å; T108-I133 HydrophobicContact CG2-CD1 4.1Å; T108-I133 WeakPolarHBondContact OG1-CD1 3.47Å; T108-Y145 HydrophobicContact CG2-CD1 4.03Å; T108-Y145 HydrophobicContact CG2-CG 3.99Å; T108-T147 HydrophobicContact CG2-CG2 3.63Å; T108-Y153 HydrophobicContact CG2-CD2 3.52Å; T108-Y153 HydrophobicContact CG2-CE2 4.31Å; T108-Y153 HydrophobicContact CG2-CG 3.73Å
109R98.7Very high97.5Very high114 Ų11448.3 Ų48.343%0.4323%0.229SC..Hα-helixtrans-62.7-40.6178.1-178.9173.758.7-126.7-0.2111.7E105 Y106 A112 S113 Y153E105-R109 WeakPolarHBondContact O-CB 3.46Å; E105-R109 PolarHBondContact O-N 2.95Å; E105-R109 IonicContact OE1-NH1 3.55Å; Y106-R109 WeakPolarHBondContact O-CB 3.26Å; Y106-R109 PolarHBondContact O-N 3.42Å; R109-A112 PolarHBondContact O-N 3.44Å; R109-S113 WeakPolarHBondContact O-CB 3.31Å; R109-S113 PolarHBondContact O-N 3.23Å; R109-Y153 HydrophobicContact CB-CE1 4.03Å; R109-Y153 HydrophobicContact CG-CE1 4.1Å
110Y98.8Very high97.3Very high60 Ų6046.7 Ų46.724%0.23522%0.221CC..Hα-helixtrans-57.7-51.5172.9173.6-93.3000111.3R86 E90 Y106 I107 T108 A112 S113 L114R86-Y110 HydrophobicContact CB-CE1 4.29Å; E90-Y110 HydrophobicContact CB-CD1 4.03Å; E90-Y110 HydrophobicContact CB-CD2 4.28Å; E90-Y110 HydrophobicContact CB-CE1 3.84Å; E90-Y110 HydrophobicContact CB-CE2 4.06Å; E90-Y110 HydrophobicContact CB-CG 4.25Å; E90-Y110 HydrophobicContact CG-CD1 3.95Å; E90-Y110 HydrophobicContact CG-CD2 3.59Å; E90-Y110 HydrophobicContact CG-CE1 4.16Å; E90-Y110 HydrophobicContact CG-CE2 3.79Å; E90-Y110 HydrophobicContact CG-CG 3.66Å; E90-Y110 WeakPolarHBondContact OE2-CE2 3.42Å; Y106-Y110 PolarHBondContact O-N 2.8Å; I107-Y110 HydrophobicContact CD1-CD1 4.27Å; I107-Y110 PolarHBondContact O-N 2.77Å; T108-Y110 VanDerWaalsContact C-N 3.34Å; T108-Y110 PolarHBondContact O-N 3.18Å; Y110-A112 VanDerWaalsContact C-N 3.32Å; Y110-A112 PolarHBondContact O-N 3Å; Y110-S113 PolarHBondContact O-N 2.92Å; Y110-S113 PolarHBondContact O-OG 3.33Å; Y110-L114 HydrophobicContact CE1-CD2 4.45Å; Y110-L114 WeakPolarHBondContact O-CB 3.33Å; Y110-L114 PolarHBondContact O-N 3.46Å
111I98.6Very high97.1Very high0 Ų044 Ų440%021%0.209CC..Hα-helixtrans-60.6-42.1179.2-69.9165.6000111.1L65 V83 A87 I107 T108 L114 K115 I133 T147L65-I111 HydrophobicContact CD1-CD1 4.19Å; V83-I111 HydrophobicContact CG1-CG1 4.17Å; V83-I111 HydrophobicContact CG1-CG2 3.73Å; A87-I111 HydrophobicContact CB-CD1 3.94Å; A87-I111 HydrophobicContact CB-CG1 4.09Å; I107-I111 HydrophobicContact CG1-CD1 4.32Å; I107-I111 WeakPolarHBondContact O-CG1 3.35Å; I107-I111 PolarHBondContact O-N 2.83Å; T108-I111 PolarHBondContact O-N 3.19Å; I111-L114 WeakPolarHBondContact O-CB 3.49Å; I111-L114 PolarHBondContact O-N 3.3Å; I111-K115 WeakPolarHBondContact O-CG 3.35Å; I111-K115 PolarHBondContact O-N 3.21Å; I111-I133 HydrophobicContact CD1-CD1 3.71Å; I111-T147 HydrophobicContact CG2-CG2 4.36Å
112A98.6Very high96.8Very high4 Ų446.5 Ų46.53%0.03322%0.22CC..Hα-helixtrans-61.2-48177.300000111.6T108 R109 Y110 L114 K115 Q116 T147 G151 Y153T108-A112 WeakPolarHBondContact O-CB 3.47Å; T108-A112 PolarHBondContact O-N 3.32Å; R109-A112 PolarHBondContact O-N 3.44Å; Y110-A112 VanDerWaalsContact C-N 3.32Å; Y110-A112 PolarHBondContact O-N 3Å; A112-L114 VanDerWaalsContact C-N 3.3Å; A112-L114 PolarHBondContact O-N 2.92Å; A112-K115 PolarHBondContact O-N 3.28Å; A112-Q116 WeakPolarHBondContact O-CB 3.47Å; A112-Q116 PolarHBondContact O-N 3.47Å; A112-T147 HydrophobicContact CB-CG2 4.41Å; A112-G151 WeakPolarHBondContact CB-O 3.36Å; A112-G151 WeakPolarHBondContact O-CA 3.36Å; A112-Y153 HydrophobicContact CB-CD1 3.6Å; A112-Y153 HydrophobicContact CB-CE1 4.44Å; A112-Y153 HydrophobicContact CB-CG 4.23Å
113S98.4Very high96.4Very high49 Ų4948.3 Ų48.334%0.34324%0.239SC..Hα-helixtrans-62.9-36.6176.3800000112.7R109 Y110 Q116 R117R109-S113 WeakPolarHBondContact O-CB 3.31Å; R109-S113 PolarHBondContact O-N 3.23Å; Y110-S113 PolarHBondContact O-N 2.92Å; Y110-S113 PolarHBondContact O-OG 3.33Å; S113-Q116 PolarHBondContact O-N 3.36Å; S113-R117 WeakPolarHBondContact O-CB 3.25Å; S113-R117 PolarHBondContact O-N 3.04Å
114L98.1Very high96.1Very high8 Ų850 Ų504%0.04224%0.238CC..Hα-helixtrans-63.3-43.9175.4168.463.2000110.8V83 R86 Y110 I111 A112 Y118 F127V83-L114 HydrophobicContact CG2-CD2 4.43Å; R86-L114 HydrophobicContact CB-CD2 4.04Å; R86-L114 HydrophobicContact CG-CD2 4.48Å; Y110-L114 HydrophobicContact CE1-CD2 4.45Å; Y110-L114 WeakPolarHBondContact O-CB 3.33Å; Y110-L114 PolarHBondContact O-N 3.46Å; I111-L114 WeakPolarHBondContact O-CB 3.49Å; I111-L114 PolarHBondContact O-N 3.3Å; A112-L114 VanDerWaalsContact C-N 3.3Å; A112-L114 PolarHBondContact O-N 2.92Å; L114-Y118 HydrophobicContact CD1-CD2 4.17Å; L114-Y118 HydrophobicContact CD1-CE2 3.74Å; L114-Y118 VanDerWaalsContact O-CD2 3.24Å; L114-Y118 WeakPolarHBondContact O-CD2 3.46Å; L114-F127 HydrophobicContact CD1-CE2 4.32Å; L114-F127 HydrophobicContact CG-CE2 4.15Å
115K98.2Very high95.9Very high0 Ų055.6 Ų55.60%026%0.259CS..Hα-helixtrans-64-48.9175.9-70.6-179.1-177.8-174.80111.4I111 A112 R117 Y118 T119 F127 I129 T147 D148I111-K115 WeakPolarHBondContact O-CG 3.35Å; I111-K115 PolarHBondContact O-N 3.21Å; A112-K115 PolarHBondContact O-N 3.28Å; K115-R117 VanDerWaalsContact C-N 3.32Å; K115-R117 PolarHBondContact O-N 3.47Å; K115-Y118 WeakPolarHBondContact O-CB 3.45Å; K115-Y118 PolarHBondContact O-N 3.47Å; K115-T119 PolarHBondContact O-N 2.76Å; K115-F127 HydrophobicContact CG-CB 4.47Å; K115-F127 HydrophobicContact CG-CD2 4.12Å; K115-I129 PolarHBondContact NZ-O 2.69Å; K115-T147 PolarHBondContact NZ-OG1 3.07Å; K115-D148 VanDerWaalsContact CD-O 3.23Å; K115-D148 WeakPolarHBondContact CD-O 3.38Å
116Q97.8Very high95.9Very high65 Ų6552.3 Ų52.330%0.30424%0.244SC..Hα-helixtrans-58.2-42.6179.3-168.5-85.2-0.400111.7A112 S113 Y118 T119 Q120A112-Q116 WeakPolarHBondContact O-CB 3.47Å; A112-Q116 PolarHBondContact O-N 3.47Å; S113-Q116 PolarHBondContact O-N 3.36Å; Q116-Y118 PolarHBondContact O-N 3.19Å; Q116-Y118 VanDerWaalsContact O-N 3.14Å; Q116-T119 PolarHBondContact O-N 2.79Å; Q116-T119 PolarHBondContact O-OG1 3.29Å; Q116-Q120 PolarHBondContact O-N 3.44Å
117R96.9Very high95.8Very high147 Ų14749.8 Ų49.856%0.55523%0.234SC*.Hα-helixtrans-59.6-32.3178.6-169.1178.4-62169.63.1112.2S113 K115 T119 Q120 S121S113-R117 WeakPolarHBondContact O-CB 3.25Å; S113-R117 PolarHBondContact O-N 3.04Å; K115-R117 VanDerWaalsContact C-N 3.32Å; K115-R117 PolarHBondContact O-N 3.47Å; R117-T119 VanDerWaalsContact C-N 3.29Å; R117-Q120 PolarHBondContact O-N 2.86Å; R117-S121 VanDerWaalsContact O-CB 3.27Å; R117-S121 WeakPolarHBondContact O-CB 3.46Å; R117-S121 PolarHBondContact O-N 2.87Å; R117-S121 PolarHBondContact O-OG 3.22Å
118Y95.4Very high95.8Very high33 Ų3349.9 Ų49.913%0.12924%0.236CC..Hα-helixtrans-78.2-11.4177.4-83.8-119.2000113.4R86 L114 K115 Q116 R124 R125 F127R86-Y118 PolarHBondContact NH1-OH 2.83Å; R86-Y118 PolarHBondContact NH2-OH 3.21Å; L114-Y118 HydrophobicContact CD1-CD2 4.17Å; L114-Y118 HydrophobicContact CD1-CE2 3.74Å; L114-Y118 VanDerWaalsContact O-CD2 3.24Å; L114-Y118 WeakPolarHBondContact O-CD2 3.46Å; K115-Y118 WeakPolarHBondContact O-CB 3.45Å; K115-Y118 PolarHBondContact O-N 3.47Å; Q116-Y118 PolarHBondContact O-N 3.19Å; Q116-Y118 VanDerWaalsContact O-N 3.14Å; Y118-R124 HydrophobicContact CD1-CB 4.1Å; Y118-R124 HydrophobicContact CD1-CG 4.44Å; Y118-R125 CarbonylContact O-C 3.58Å; Y118-F127 HydrophobicContact CD1-CD2 4.28Å; Y118-F127 AromaticContact CD1-CE2 3.64Å; Y118-F127 HydrophobicContact CD1-CE2 3.64Å; Y118-F127 AromaticContact CD1-CZ 3.84Å; Y118-F127 HydrophobicContact CD1-CZ 3.84Å; Y118-F127 AromaticContact CD2-CE2 3.63Å; Y118-F127 HydrophobicContact CD2-CE2 3.63Å; Y118-F127 HydrophobicContact CD2-CZ 4.25Å; Y118-F127 HydrophobicContact CE1-CE1 4.49Å; Y118-F127 AromaticContact CE1-CE2 3.94Å; Y118-F127 HydrophobicContact CE1-CE2 3.94Å; Y118-F127 AromaticContact CE1-CZ 3.69Å; Y118-F127 HydrophobicContact CE1-CZ 3.69Å; Y118-F127 AromaticContact CE2-CE2 3.93Å; Y118-F127 HydrophobicContact CE2-CE2 3.93Å; Y118-F127 HydrophobicContact CE2-CZ 4.12Å; Y118-F127 HydrophobicContact CG-CD2 4.07Å; Y118-F127 AromaticContact CG-CE2 3.47Å; Y118-F127 HydrophobicContact CG-CE2 3.47Å; Y118-F127 VanDerWaalsContact CG-CE2 3.47Å; Y118-F127 HydrophobicContact CG-CZ 4.12Å; Y118-F127 AromaticContact CZ-CZ 3.84Å
119T93.9Very high95.8Very high13 Ų1349.9 Ų49.98%0.0824%0.236CC..Hα-helixtrans-87.1-23.5169.775.80000111.9T8 V19 K115 Q116 R117 P126T8-T119 WeakPolarHBondContact CB-O 3.47Å; T8-T119 VanDerWaalsContact CG2-O 3.32Å; T8-T119 WeakPolarHBondContact CG2-O 3.26Å; T8-T119 PolarHBondContact OG1-O 3.14Å; V19-T119 HydrophobicContact CG2-CG2 4.02Å; K115-T119 PolarHBondContact O-N 2.76Å; Q116-T119 PolarHBondContact O-N 2.79Å; Q116-T119 PolarHBondContact O-OG1 3.29Å; R117-T119 VanDerWaalsContact C-N 3.29Å; T119-P126 HydrophobicContact CG2-CB 4.09Å; T119-P126 HydrophobicContact CG2-CG 4.06Å
120Q92.4Very high95.8Very high141 Ų14144.9 Ų44.966%0.65922%0.218SC*.Hα-helixtrans-109-7.2-176.1-64.2-171.3-21.900115.2Q116 R117Q116-Q120 PolarHBondContact O-N 3.44Å; R117-Q120 PolarHBondContact O-N 2.86Å
121S90.3Very high95.8Very high36 Ų3642 Ų4225%0.25221%0.207SC..SBendtrans-92135.1179-600000112.1R117 R124R117-S121 VanDerWaalsContact O-CB 3.27Å; R117-S121 WeakPolarHBondContact O-CB 3.46Å; R117-S121 PolarHBondContact O-N 2.87Å; R117-S121 PolarHBondContact O-OG 3.22Å; S121-R124 PolarHBondContact O-N 2.9Å
122N88.2Confident95.8Very high105 Ų10542 Ų4256%0.56121%0.207SC*.THydrogen-bonded Turntrans-60.2148.2174.7-66.3-22.9000112.2R124N122-R124 PolarHBondContact O-N 3.34Å
123G89.1Confident95.8Very high40 Ų4041.9 Ų41.941%0.41221%0.205SC..THydrogen-bonded Turntrans68.38.2178.700000115.2Y3 R5Y3-G123 WeakPolarHBondContact O-CA 3.5Å; R5-G123 PolarHBondContact O-N 2.9Å
124R92.6Very high95.8Very high102 Ų10239.6 Ų39.639%0.38519%0.189SC..  trans-119.8145.8178.7-59.6-173.3-176.3172.52.6111.3Y118 S121 N122Y118-R124 HydrophobicContact CD1-CB 4.1Å; Y118-R124 HydrophobicContact CD1-CG 4.44Å; S121-R124 PolarHBondContact O-N 2.9Å; N122-R124 PolarHBondContact O-N 3.34Å
125R94.8Very high95.8Very high117 Ų11739.2 Ų39.244%0.44219%0.187SC..PPolyproline II helixtrans-99.2153.5168.265.3167.1-177.976.1-1110.4D79 Y118D79-R125 IonicContact OD1-CZ 3.83Å; D79-R125 IonicContact OD1-NH1 2.67Å; D79-R125 IonicContact OD1-NH2 3Å; D79-R125 PolarHBondContact OD1-NH2 3.44Å; D79-R125 IonicContact OD2-CZ 2.76Å; D79-R125 IonicContact OD2-NH1 3.63Å; D79-R125 PolarHBondContact OD2-NH1 2.97Å; D79-R125 IonicContact OD2-NH2 3.58Å; D79-R125 PolarHBondContact OD2-NH2 3.23Å; Y118-R125 CarbonylContact O-C 3.58Å
126P96.6Very high95.7Very high4 Ų439.8 Ų39.83%0.02619%0.19CC..PPolyproline II helixtrans-56.8154.6170-23.934.3000112.6Q18 V19 A22 T119Q18-P126 HydrophobicContact CB-CG 4.06Å; V19-P126 HydrophobicContact CG2-CG 4.19Å; A22-P126 HydrophobicContact CB-CB 4.22Å; T119-P126 HydrophobicContact CG2-CB 4.09Å; T119-P126 HydrophobicContact CG2-CG 4.06Å
127F98.1Very high95.6Very high7 Ų737.8 Ų37.83%0.03118%0.181CC..PPolyproline II helixtrans-73.4129.8169.8-70.9-78.7000110.3D79 I82 V83 L114 K115 Y118 I129 P149D79-F127 HydrophobicContact CB-CD1 3.94Å; D79-F127 WeakPolarHBondContact OD2-CA 3.28Å; I82-F127 HydrophobicContact CB-CE1 4.32Å; I82-F127 HydrophobicContact CG2-CE1 4.13Å; I82-F127 HydrophobicContact CG2-CZ 4.32Å; V83-F127 HydrophobicContact CG2-CD1 3.96Å; V83-F127 HydrophobicContact CG2-CD2 4.45Å; V83-F127 HydrophobicContact CG2-CE1 3.97Å; V83-F127 HydrophobicContact CG2-CE2 4.45Å; V83-F127 HydrophobicContact CG2-CG 4.19Å; V83-F127 HydrophobicContact CG2-CZ 4.21Å; L114-F127 HydrophobicContact CD1-CE2 4.32Å; L114-F127 HydrophobicContact CG-CE2 4.15Å; K115-F127 HydrophobicContact CG-CB 4.47Å; K115-F127 HydrophobicContact CG-CD2 4.12Å; Y118-F127 HydrophobicContact CD1-CD2 4.28Å; Y118-F127 AromaticContact CD1-CE2 3.64Å; Y118-F127 HydrophobicContact CD1-CE2 3.64Å; Y118-F127 AromaticContact CD1-CZ 3.84Å; Y118-F127 HydrophobicContact CD1-CZ 3.84Å; Y118-F127 AromaticContact CD2-CE2 3.63Å; Y118-F127 HydrophobicContact CD2-CE2 3.63Å; Y118-F127 HydrophobicContact CD2-CZ 4.25Å; Y118-F127 HydrophobicContact CE1-CE1 4.49Å; Y118-F127 AromaticContact CE1-CE2 3.94Å; Y118-F127 HydrophobicContact CE1-CE2 3.94Å; Y118-F127 AromaticContact CE1-CZ 3.69Å; Y118-F127 HydrophobicContact CE1-CZ 3.69Å; Y118-F127 AromaticContact CE2-CE2 3.93Å; Y118-F127 HydrophobicContact CE2-CE2 3.93Å; Y118-F127 HydrophobicContact CE2-CZ 4.12Å; Y118-F127 HydrophobicContact CG-CD2 4.07Å; Y118-F127 AromaticContact CG-CE2 3.47Å; Y118-F127 HydrophobicContact CG-CE2 3.47Å; Y118-F127 VanDerWaalsContact CG-CE2 3.47Å; Y118-F127 HydrophobicContact CG-CZ 4.12Å; Y118-F127 AromaticContact CZ-CZ 3.84Å; F127-I129 HydrophobicContact CB-CG1 4.24Å; F127-I129 PolarHBondContact O-N 3.28Å; F127-P149 WeakPolarHBondContact O-CB 3.26Å
128G97.6Very high95.3Very high3 Ų339.9 Ų39.93%0.03120%0.195CC..  trans-84.443.8179.700000113.7G75 L76 D79G75-G128 VanDerWaalsContact CA-O 3.32Å; G75-G128 WeakPolarHBondContact CA-O 3.25Å; L76-G128 PolarHBondContact N-O 3.31Å; D79-G128 PolarHBondContact OD2-N 3.2Å
129I98.4Very high95.2Very high0 Ų042.3 Ų42.30%021%0.21CC..EExtended strand (participates in β ladder)trans-138.5142.2-177.461.8145.1000114.2M71 A74 L76 D79 A80 V83 K115 F127M71-I129 HydrophobicContact CE-CD1 4.09Å; A74-I129 WeakPolarHBondContact O-CA 3.28Å; L76-I129 WeakPolarHBondContact O-CG2 2.95Å; D79-I129 HydrophobicContact CB-CG2 4.08Å; A80-I129 HydrophobicContact CB-CD1 4.19Å; A80-I129 HydrophobicContact CB-CG2 4.19Å; V83-I129 HydrophobicContact CB-CD1 4.23Å; V83-I129 HydrophobicContact CG1-CD1 4.47Å; V83-I129 HydrophobicContact CG2-CD1 4.07Å; K115-I129 PolarHBondContact NZ-O 2.69Å; F127-I129 HydrophobicContact CB-CG1 4.24Å; F127-I129 PolarHBondContact O-N 3.28Å
130S98.6Very high95.2Very high9 Ų942 Ų426%0.06321%0.21CC..EExtended strand (participates in β ladder)trans-105.2150.4158.8-68.40000109.4V26 F73 A74 T147 P149 I161V26-S130 VanDerWaalsContact CG2-N 3.32Å; F73-S130 VanDerWaalsContact CA-O 3.3Å; F73-S130 WeakPolarHBondContact CA-O 3.17Å; F73-S130 WeakPolarHBondContact CB-O 3.49Å; A74-S130 PolarHBondContact N-O 3.14Å; A74-S130 PolarHBondContact O-N 3.21Å; S130-T147 CarbonylContact C-O 3.54Å; S130-T147 VanDerWaalsContact CA-O 3.23Å; S130-T147 WeakPolarHBondContact CA-O 3.49Å; S130-T147 WeakPolarHBondContact CB-O 3.4Å; S130-P149 WeakPolarHBondContact OG-CD 3.38Å; S130-I161 WeakPolarHBondContact O-CD1 3.48Å
131A98.7Very high95.3Very high0 Ų037.5 Ų37.50%019%0.192CC..EExtended strand (participates in β ladder)trans-131141.8-179.300000111.3M71 A72 I133 Q146 T147M71-A131 HydrophobicContact CE-CB 3.25Å; M71-A131 HydrophobicContact CG-CB 4.08Å; M71-A131 HydrophobicContact SD-CB 4.38Å; A72-A131 CarbonylContact O-C 3.53Å; A72-A131 VanDerWaalsContact O-CA 3.28Å; A72-A131 WeakPolarHBondContact O-CA 3.5Å; A131-I133 HydrophobicContact CB-CG1 4.32Å; A131-Q146 CarbonylContact O-C 3.58Å; A131-Q146 VanDerWaalsContact O-CA 3.26Å; A131-Q146 WeakPolarHBondContact O-CA 3.29Å; A131-T147 PolarHBondContact N-O 3.21Å; A131-T147 PolarHBondContact O-N 3.32Å
132L98.8Very high95.6Very high0 Ų036.3 Ų36.30%018%0.183CC..EExtended strand (participates in β ladder)trans-100.8122.2161.9-60.8179.1000106.9A32 L43 M71 A72 L144 Y145 Q146 N159 I161A32-L132 HydrophobicContact CB-CD1 4.41Å; L43-L132 HydrophobicContact CD2-CB 3.94Å; L43-L132 HydrophobicContact CD2-CD1 4.3Å; M71-L132 CarbonylContact C-O 3.59Å; M71-L132 VanDerWaalsContact CA-O 3.31Å; M71-L132 WeakPolarHBondContact CA-O 3.37Å; A72-L132 PolarHBondContact N-O 2.98Å; A72-L132 PolarHBondContact O-N 3.41Å; L132-L144 HydrophobicContact CB-CD1 4.23Å; L132-L144 HydrophobicContact CD2-CD1 4.35Å; L132-Y145 CarbonylContact C-O 3.56Å; L132-Y145 WeakPolarHBondContact CA-O 3.43Å; L132-Q146 HydrophobicContact CD2-CB 3.86Å; L132-Q146 HydrophobicContact CD2-CG 3.88Å; L132-N159 HydrophobicContact CD2-CB 4.19Å; L132-I161 HydrophobicContact CD1-CG1 4.21Å; L132-I161 HydrophobicContact CD2-CG2 4Å; L132-I161 HydrophobicContact CG-CD1 3.94Å; L132-I161 HydrophobicContact CG-CG1 4.02Å; L132-I161 HydrophobicContact CG-CG2 4.38Å
133I98.8Very high96.1Very high0 Ų034.6 Ų34.60%017%0.169CC..EExtended strand (participates in β ladder)trans-115.8122.6-178.4-57.4161.1000106.1V69 M71 V104 I107 T108 I111 A131 L144 Y145 T147V69-I133 HydrophobicContact CG1-CG2 3.79Å; M71-I133 HydrophobicContact CG-CG1 4.21Å; V104-I133 HydrophobicContact CG1-CG2 3.93Å; I107-I133 HydrophobicContact CG2-CG2 4.39Å; T108-I133 HydrophobicContact CG2-CD1 4.1Å; T108-I133 WeakPolarHBondContact OG1-CD1 3.47Å; I111-I133 HydrophobicContact CD1-CD1 3.71Å; A131-I133 HydrophobicContact CB-CG1 4.32Å; I133-L144 WeakPolarHBondContact O-CA 3.28Å; I133-Y145 PolarHBondContact N-O 2.97Å; I133-Y145 PolarHBondContact O-N 3.49Å; I133-T147 HydrophobicContact CD1-CG2 3.86Å
134V98.6Very high96.6Very high1 Ų132.8 Ų32.81%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-129.3158.3-179.1-54.30000110.4V41 L43 V69 C70 R143 L144V41-V134 HydrophobicContact CB-CB 4.05Å; V41-V134 HydrophobicContact CB-CG2 4.25Å; V41-V134 HydrophobicContact CG2-CB 3.85Å; V41-V134 HydrophobicContact CG2-CG2 3.7Å; L43-V134 HydrophobicContact CD1-CG1 4.43Å; L43-V134 HydrophobicContact CD1-CG2 3.61Å; L43-V134 HydrophobicContact CD2-CG1 3.84Å; L43-V134 HydrophobicContact CD2-CG2 4.41Å; L43-V134 HydrophobicContact CG-CG1 4.1Å; L43-V134 HydrophobicContact CG-CG2 3.76Å; V69-V134 WeakPolarHBondContact CA-O 3.42Å; C70-V134 PolarHBondContact N-O 3.46Å; C70-V134 PolarHBondContact O-N 2.83Å; C70-V134 VanDerWaalsContact O-O 3.1Å; C70-V134 WeakPolarHBondContact SG-CG2 3.35Å; V134-R143 VanDerWaalsContact CA-O 3.23Å; V134-R143 WeakPolarHBondContact CA-O 3.47Å; V134-R143 WeakPolarHBondContact CB-O 3.23Å; V134-L144 HydrophobicContact CG1-CB 4.12Å; V134-L144 HydrophobicContact CG1-CD1 3.35Å; V134-L144 HydrophobicContact CG1-CG 4.31Å
135G97.8Very high96.9Very high0 Ų028.9 Ų28.90%014%0.135CC..EExtended strand (participates in β ladder)trans171.2-168.817700000111.8N68 R143N68-G135 WeakPolarHBondContact O-CA 3.39Å; G135-R143 PolarHBondContact N-O 3.36Å; G135-R143 PolarHBondContact O-N 2.83Å
136F97.6Very high97Very high13 Ų1324.3 Ų24.36%0.05712%0.119CC..EExtended strand (participates in β ladder)trans-120.6133.8172.8-67.9-94.2000109D39 V41 N68 G140 P142 M211 R212 R213D39-F136 WeakPolarHBondContact O-CZ 3.38Å; V41-F136 HydrophobicContact CG1-CZ 4.45Å; V41-F136 HydrophobicContact CG2-CE2 3.88Å; V41-F136 HydrophobicContact CG2-CZ 4.48Å; N68-F136 PolarHBondContact ND2-O 3.16Å; N68-F136 PolarHBondContact O-N 2.85Å; N68-F136 VanDerWaalsContact O-N 3.15Å; F136-G140 WeakPolarHBondContact CD1-O 3.37Å; F136-P142 HydrophobicContact CD1-CB 4.11Å; F136-P142 HydrophobicContact CE1-CB 3.64Å; F136-P142 HydrophobicContact CE1-CG 4.19Å; F136-P142 HydrophobicContact CZ-CB 4.06Å; F136-M211 HydrophobicContact CD2-CG 3.96Å; F136-M211 HydrophobicContact CD2-SD 4.08Å; F136-M211 HydrophobicContact CE2-CB 4.32Å; F136-M211 HydrophobicContact CE2-CG 3.87Å; F136-M211 WeakPolarHBondContact CE2-O 3.49Å; F136-M211 HydrophobicContact CE2-SD 4.47Å; F136-R212 VanDerWaalsContact CE2-C 3.44Å; F136-R213 HydrophobicContact CD1-CB 4.21Å; F136-R213 HydrophobicContact CD1-CG 4.45Å; F136-R213 HydrophobicContact CE1-CB 4.08Å
137D94.2Very high97.1Very high22 Ų2224.1 Ų24.112%0.11812%0.117CC..  trans-79.9172165.4-63-35.8000109.5T103 V104 D139 G140 T141 R143T103-D137 VanDerWaalsContact CA-OD1 3.26Å; T103-D137 WeakPolarHBondContact CA-OD1 3.27Å; T103-D137 VanDerWaalsContact CB-OD1 3.28Å; T103-D137 WeakPolarHBondContact CB-OD1 3.49Å; V104-D137 PolarHBondContact N-OD1 3.44Å; D137-D139 WeakPolarHBondContact CB-OD1 3.23Å; D137-D139 PolarHBondContact O-N 3.32Å; D137-G140 WeakPolarHBondContact O-CA 3.42Å; D137-G140 PolarHBondContact O-N 3.01Å; D137-T141 PolarHBondContact N-O 2.9Å; D137-R143 VanDerWaalsContact OD2-CG 3.25Å; D137-R143 WeakPolarHBondContact OD2-CG 3.46Å; D137-R143 IonicContact OD2-CZ 3.73Å; D137-R143 IonicContact OD2-NE 3.36Å; D137-R143 PolarHBondContact OD2-NE 3.32Å; D137-R143 IonicContact OD2-NH2 2.91Å
138F91.5Very high97.1Very high192 Ų19224.7 Ų24.784%0.84212%0.121SC*.THydrogen-bonded Turntrans-57.5-31.4-178.1178.6-98.9000113.9G140F138-G140 PolarHBondContact O-N 2.94Å
139D92.9Very high97.1Very high84 Ų8424.5 Ų24.545%0.44912%0.119SC..THydrogen-bonded Turntrans-67.9-11.7175.765.7-12.6000113.1D137 T141 R143 R213D137-D139 WeakPolarHBondContact CB-OD1 3.23Å; D137-D139 PolarHBondContact O-N 3.32Å; D139-T141 VanDerWaalsContact C-N 3.31Å; D139-T141 VanDerWaalsContact OD1-CB 3.29Å; D139-T141 WeakPolarHBondContact OD1-CB 3.47Å; D139-T141 PolarHBondContact OD1-N 2.9Å; D139-T141 PolarHBondContact OD1-OG1 2.82Å; D139-T141 WeakPolarHBondContact OD2-CB 3.38Å; D139-T141 PolarHBondContact OD2-OG1 2.83Å; D139-R143 IonicContact OD2-NH2 3.51Å; D139-R213 PolarHBondContact O-NH2 3.06Å
140G93.3Very high97Very high7 Ų726.2 Ų26.27%0.07213%0.131CC..  trans80.810.6-174.200000113.4F136 D137 F138 P142F136-G140 WeakPolarHBondContact CD1-O 3.37Å; D137-G140 WeakPolarHBondContact O-CA 3.42Å; D137-G140 PolarHBondContact O-N 3.01Å; F138-G140 PolarHBondContact O-N 2.94Å; G140-P142 WeakPolarHBondContact O-CD 3.33Å
141T95.2Very high96.9Very high46 Ų4626.4 Ų26.428%0.28213%0.134SC..  trans-72.8123.5175.7-630000109.1D137 D139D137-T141 PolarHBondContact N-O 2.9Å; D139-T141 VanDerWaalsContact C-N 3.31Å; D139-T141 VanDerWaalsContact OD1-CB 3.29Å; D139-T141 WeakPolarHBondContact OD1-CB 3.47Å; D139-T141 PolarHBondContact OD1-N 2.9Å; D139-T141 PolarHBondContact OD1-OG1 2.82Å; D139-T141 WeakPolarHBondContact OD2-CB 3.38Å; D139-T141 PolarHBondContact OD2-OG1 2.83Å
142P97.2Very high96.8Very high11 Ų1129.5 Ų29.57%0.07115%0.153CC..EExtended strand (participates in β ladder)trans-69.6139.4173.624.4-28.9000110.8R36 G37 R38 V41 F136 G140R36-P142 WeakPolarHBondContact CD-O 3.26Å; R36-P142 HydrophobicContact CG-CB 3.76Å; R36-P142 HydrophobicContact CG-CG 3.71Å; R36-P142 PolarHBondContact NH1-O 3.23Å; R36-P142 VanDerWaalsContact NH1-O 3.14Å; G37-P142 WeakPolarHBondContact O-CG 3.12Å; R38-P142 WeakPolarHBondContact O-CD 3.38Å; R38-P142 VanDerWaalsContact O-CG 3.31Å; R38-P142 WeakPolarHBondContact O-CG 3.38Å; V41-P142 HydrophobicContact CG1-CB 3.36Å; F136-P142 HydrophobicContact CD1-CB 4.11Å; F136-P142 HydrophobicContact CE1-CB 3.64Å; F136-P142 HydrophobicContact CE1-CG 4.19Å; F136-P142 HydrophobicContact CZ-CB 4.06Å; G140-P142 WeakPolarHBondContact O-CD 3.33Å
143R98.2Very high96.8Very high68 Ų6832.6 Ų32.626%0.25717%0.166SC..EExtended strand (participates in β ladder)trans-123.9142.9180-58.3-63.4-176.7-173.5-12.1110.6V104 V134 G135 D137 D139 Y145V104-R143 HydrophobicContact CB-CB 3.72Å; V104-R143 HydrophobicContact CB-CG 4.08Å; V104-R143 HydrophobicContact CG1-CB 3.87Å; V104-R143 HydrophobicContact CG2-CB 3.89Å; V104-R143 HydrophobicContact CG2-CG 4.16Å; V134-R143 VanDerWaalsContact CA-O 3.23Å; V134-R143 WeakPolarHBondContact CA-O 3.47Å; V134-R143 WeakPolarHBondContact CB-O 3.23Å; G135-R143 PolarHBondContact N-O 3.36Å; G135-R143 PolarHBondContact O-N 2.83Å; D137-R143 VanDerWaalsContact OD2-CG 3.25Å; D137-R143 WeakPolarHBondContact OD2-CG 3.46Å; D137-R143 IonicContact OD2-CZ 3.73Å; D137-R143 IonicContact OD2-NE 3.36Å; D137-R143 PolarHBondContact OD2-NE 3.32Å; D137-R143 IonicContact OD2-NH2 2.91Å; D139-R143 IonicContact OD2-NH2 3.51Å; R143-Y145 HydrophobicContact CB-CD2 4.22Å; R143-Y145 HydrophobicContact CB-CE2 4.03Å; R143-Y145 HydrophobicContact CG-CE2 4.41Å
144L98.6Very high96.8Very high2 Ų237.4 Ų37.41%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-135.5116.2169.7166.665.1000107.8G34 L132 I133 V134 A155 W156 N159G34-L144 WeakPolarHBondContact O-CD2 3.31Å; L132-L144 HydrophobicContact CB-CD1 4.23Å; L132-L144 HydrophobicContact CD2-CD1 4.35Å; I133-L144 WeakPolarHBondContact O-CA 3.28Å; V134-L144 HydrophobicContact CG1-CB 4.12Å; V134-L144 HydrophobicContact CG1-CD1 3.35Å; V134-L144 HydrophobicContact CG1-CG 4.31Å; L144-A155 WeakPolarHBondContact O-CA 3.41Å; L144-W156 HydrophobicContact CD2-CB 4.08Å; L144-W156 HydrophobicContact CG-CB 4.18Å; L144-W156 PolarHBondContact O-N 3.28Å; L144-N159 HydrophobicContact CD2-CB 4.42Å
145Y98.9Very high96.8Very high20 Ų2040.5 Ų40.58%0.07821%0.213CC..EExtended strand (participates in β ladder)trans-117152.2174.8-76.8-93.5000110.5V104 E105 T108 L132 I133 R143 Y153 H154 A155V104-Y145 HydrophobicContact CG1-CD2 3.96Å; E105-Y145 HydrophobicContact CB-CE1 4.49Å; E105-Y145 HydrophobicContact CB-CE2 4.12Å; E105-Y145 HydrophobicContact CG-CE1 4.09Å; E105-Y145 PolarHBondContact OE2-OH 2.98Å; T108-Y145 HydrophobicContact CG2-CD1 4.03Å; T108-Y145 HydrophobicContact CG2-CG 3.99Å; L132-Y145 CarbonylContact C-O 3.56Å; L132-Y145 WeakPolarHBondContact CA-O 3.43Å; I133-Y145 PolarHBondContact N-O 2.97Å; I133-Y145 PolarHBondContact O-N 3.49Å; R143-Y145 HydrophobicContact CB-CD2 4.22Å; R143-Y145 HydrophobicContact CB-CE2 4.03Å; R143-Y145 HydrophobicContact CG-CE2 4.41Å; Y145-Y153 AromaticContact CD1-CD2 3.83Å; Y145-Y153 HydrophobicContact CD1-CD2 3.83Å; Y145-Y153 HydrophobicContact CD1-CE2 4.28Å; Y145-Y153 HydrophobicContact CE1-CD2 4.1Å; Y145-Y153 HydrophobicContact CE1-CE2 4.1Å; Y145-H154 WeakPolarHBondContact CA-O 3.13Å; Y145-A155 HydrophobicContact CD1-CB 4.05Å; Y145-A155 HydrophobicContact CE1-CB 3.67Å
146Q98.7Very high96.8Very high21 Ų2145 Ų4510%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-123136.1171.6-179.3-90.6-43.800109.6A131 L132 Y153 H154 N159 I161A131-Q146 CarbonylContact O-C 3.58Å; A131-Q146 VanDerWaalsContact O-CA 3.26Å; A131-Q146 WeakPolarHBondContact O-CA 3.29Å; L132-Q146 HydrophobicContact CD2-CB 3.86Å; L132-Q146 HydrophobicContact CD2-CG 3.88Å; Q146-Y153 WeakPolarHBondContact O-CA 3.19Å; Q146-Y153 WeakPolarHBondContact O-CB 3.22Å; Q146-H154 PolarHBondContact N-O 3.49Å; Q146-H154 PolarHBondContact O-N 3.03Å; Q146-H154 VanDerWaalsContact O-N 3.08Å; Q146-N159 WeakPolarHBondContact CB-ND2 3.38Å; Q146-I161 HydrophobicContact CG-CG2 4Å
147T98.6Very high96.9Very high0 Ų050.5 Ų50.50%025%0.254CS..EExtended strand (participates in β ladder)trans-118.2143.3170.165.60000109.9T108 I111 A112 K115 S130 A131 I133 T152T108-T147 HydrophobicContact CG2-CG2 3.63Å; I111-T147 HydrophobicContact CG2-CG2 4.36Å; A112-T147 HydrophobicContact CB-CG2 4.41Å; K115-T147 PolarHBondContact NZ-OG1 3.07Å; S130-T147 CarbonylContact C-O 3.54Å; S130-T147 VanDerWaalsContact CA-O 3.23Å; S130-T147 WeakPolarHBondContact CA-O 3.49Å; S130-T147 WeakPolarHBondContact CB-O 3.4Å; A131-T147 PolarHBondContact N-O 3.21Å; A131-T147 PolarHBondContact O-N 3.32Å; I133-T147 HydrophobicContact CD1-CG2 3.86Å; T147-T152 WeakPolarHBondContact CA-O 3.47Å
148D97.1Very high97.1Very high19 Ų1950.2 Ų50.210%0.10226%0.255CS..  trans-118.2170177.166.785.4000111.7K115 S150 G151 T152K115-D148 VanDerWaalsContact CD-O 3.23Å; K115-D148 WeakPolarHBondContact CD-O 3.38Å; D148-S150 PolarHBondContact O-N 3.45Å; D148-S150 VanDerWaalsContact O-N 3.17Å; D148-S150 WeakPolarHBondContact OD1-CA 3.44Å; D148-S150 WeakPolarHBondContact OD1-CB 3.3Å; D148-S150 PolarHBondContact OD1-N 3.44Å; D148-S150 PolarHBondContact OD1-OG 3.06Å; D148-G151 PolarHBondContact O-N 2.83Å; D148-G151 VanDerWaalsContact O-N 3.11Å; D148-T152 VanDerWaalsContact CG-OG1 3.31Å; D148-T152 PolarHBondContact N-O 3.31Å; D148-T152 PolarHBondContact OD1-OG1 3.06Å; D148-T152 PolarHBondContact OD2-OG1 3.03Å
149P97.4Very high97.4Very high0 Ų041.3 Ų41.30%022%0.216CC..THydrogen-bonded Turntrans-57-23.4-179.4-31.839.1000116.4A22 Q23 V26 F127 S130 G151A22-P149 HydrophobicContact CB-CB 3.67Å; A22-P149 HydrophobicContact CB-CG 4.09Å; Q23-P149 HydrophobicContact CG-CB 4.47Å; Q23-P149 HydrophobicContact CG-CG 4.25Å; V26-P149 HydrophobicContact CG2-CG 3.86Å; F127-P149 WeakPolarHBondContact O-CB 3.26Å; S130-P149 WeakPolarHBondContact OG-CD 3.38Å; P149-G151 PolarHBondContact O-N 2.85Å
150S96.1Very high97.7Very high35 Ų3537.4 Ų37.425%0.24520%0.196CC..THydrogen-bonded Turntrans-71.5-18.9178.9770000112.5D148 T152D148-S150 PolarHBondContact O-N 3.45Å; D148-S150 VanDerWaalsContact O-N 3.17Å; D148-S150 WeakPolarHBondContact OD1-CA 3.44Å; D148-S150 WeakPolarHBondContact OD1-CB 3.3Å; D148-S150 PolarHBondContact OD1-N 3.44Å; D148-S150 PolarHBondContact OD1-OG 3.06Å; S150-T152 PolarHBondContact OG-N 2.87Å; S150-T152 PolarHBondContact OG-OG1 2.86Å
151G96.6Very high97.9Very high13 Ų1337.6 Ų37.613%0.13420%0.195CC..SBendtrans91.311.8-174.600000114.1A112 D148 P149A112-G151 WeakPolarHBondContact CB-O 3.36Å; A112-G151 WeakPolarHBondContact O-CA 3.36Å; D148-G151 PolarHBondContact O-N 2.83Å; D148-G151 VanDerWaalsContact O-N 3.11Å; P149-G151 PolarHBondContact O-N 2.85Å
152T97.9Very high98Very high65 Ų6535.8 Ų35.840%0.39919%0.185SC..  trans-80.5156.8166.146.50000112.1T147 D148 S150T147-T152 WeakPolarHBondContact CA-O 3.47Å; D148-T152 VanDerWaalsContact CG-OG1 3.31Å; D148-T152 PolarHBondContact N-O 3.31Å; D148-T152 PolarHBondContact OD1-OG1 3.06Å; D148-T152 PolarHBondContact OD2-OG1 3.03Å; S150-T152 PolarHBondContact OG-N 2.87Å; S150-T152 PolarHBondContact OG-OG1 2.86Å
153Y98.6Very high97.9Very high65 Ų6540.3 Ų40.326%0.25520%0.201SC..EExtended strand (participates in β ladder)trans-147.1146.7175.276.5-87.6000112.3E105 T108 R109 A112 Y145 Q146E105-Y153 HydrophobicContact CG-CE2 4.14Å; E105-Y153 PolarHBondContact OE1-OH 2.92Å; T108-Y153 HydrophobicContact CG2-CD2 3.52Å; T108-Y153 HydrophobicContact CG2-CE2 4.31Å; T108-Y153 HydrophobicContact CG2-CG 3.73Å; R109-Y153 HydrophobicContact CB-CE1 4.03Å; R109-Y153 HydrophobicContact CG-CE1 4.1Å; A112-Y153 HydrophobicContact CB-CD1 3.6Å; A112-Y153 HydrophobicContact CB-CE1 4.44Å; A112-Y153 HydrophobicContact CB-CG 4.23Å; Y145-Y153 AromaticContact CD1-CD2 3.83Å; Y145-Y153 HydrophobicContact CD1-CD2 3.83Å; Y145-Y153 HydrophobicContact CD1-CE2 4.28Å; Y145-Y153 HydrophobicContact CE1-CD2 4.1Å; Y145-Y153 HydrophobicContact CE1-CE2 4.1Å; Q146-Y153 WeakPolarHBondContact O-CA 3.19Å; Q146-Y153 WeakPolarHBondContact O-CB 3.22Å
154H98.5Very high97.7Very high102 Ų10238.8 Ų38.847%0.47221%0.207SC..EExtended strand (participates in β ladder)trans-144.1152.5-179.6-58.2-67.9000111.5Y145 Q146Y145-H154 WeakPolarHBondContact CA-O 3.13Å; Q146-H154 PolarHBondContact N-O 3.49Å; Q146-H154 PolarHBondContact O-N 3.03Å; Q146-H154 VanDerWaalsContact O-N 3.08Å
155A98.4Very high97.6Very high65 Ų6539.3 Ų39.354%0.53721%0.211SC..EExtended strand (participates in β ladder)trans-85.4144.317300000111L144 Y145L144-A155 WeakPolarHBondContact O-CA 3.41Å; Y145-A155 HydrophobicContact CD1-CB 4.05Å; Y145-A155 HydrophobicContact CE1-CB 3.67Å
156W98.6Very high97.5Very high94 Ų9445.1 Ų45.136%0.35624%0.237SC..  trans-137.3152.4-176.8-64.785.1000111.9L144 N159L144-W156 HydrophobicContact CD2-CB 4.08Å; L144-W156 HydrophobicContact CG-CB 4.18Å; L144-W156 PolarHBondContact O-N 3.28Å; W156-N159 HydrophobicContact CB-CB 3.91Å; W156-N159 HydrophobicContact CD2-CB 4.03Å; W156-N159 VanDerWaalsContact CE2-ND2 3.29Å; W156-N159 HydrophobicContact CE3-CB 4.3Å; W156-N159 HydrophobicContact CG-CB 3.82Å; W156-N159 PolarHBondContact NE1-ND2 3.11Å
157K98Very high97.4Very high130 Ų13046.7 Ų46.757%0.56525%0.25SC*.SBendtrans-81.1-47.2168.4-67.7-175.1-179.1-176.50111.1R36 Y176R36-K157 WeakPolarHBondContact CB-O 3.31Å; R36-K157 PolarHBondContact N-O 3.19Å; K157-Y176 HydrophobicContact CB-CE1 3.88Å; K157-Y176 HydrophobicContact CB-CE2 4.24Å; K157-Y176 HydrophobicContact CD-CE1 3.93Å; K157-Y176 HydrophobicContact CG-CE1 4.43Å
158A98.4Very high97.3Very high16 Ų1646.7 Ų46.713%0.13225%0.25CC..EExtended strand (participates in β ladder)trans-142.9148.1168.200000108.2G34 V35 L172 Y176G34-A158 CarbonylContact O-C 3.58Å; G34-A158 VanDerWaalsContact O-CA 3.26Å; G34-A158 WeakPolarHBondContact O-CA 3.5Å; V35-A158 HydrophobicContact CG2-CB 3.98Å; A158-L172 HydrophobicContact CB-CB 4.43Å; A158-L172 HydrophobicContact CB-CD1 4.21Å; A158-L172 HydrophobicContact CB-CD2 4.22Å; A158-Y176 HydrophobicContact CB-CD2 3.67Å; A158-Y176 HydrophobicContact CB-CE2 4.06Å; A158-Y176 HydrophobicContact CB-CG 4.39Å
159N98.5Very high97.4Very high4 Ų449.5 Ų49.52%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-153.9159.9178.3-157.93.9000111.9V33 G34 L132 L144 Q146 W156V33-N159 WeakPolarHBondContact CA-O 3.32Å; G34-N159 PolarHBondContact N-O 3.36Å; G34-N159 PolarHBondContact O-N 3.27Å; L132-N159 HydrophobicContact CD2-CB 4.19Å; L144-N159 HydrophobicContact CD2-CB 4.42Å; Q146-N159 WeakPolarHBondContact CB-ND2 3.38Å; W156-N159 HydrophobicContact CB-CB 3.91Å; W156-N159 HydrophobicContact CD2-CB 4.03Å; W156-N159 VanDerWaalsContact CE2-ND2 3.29Å; W156-N159 HydrophobicContact CE3-CB 4.3Å; W156-N159 HydrophobicContact CG-CB 3.82Å; W156-N159 PolarHBondContact NE1-ND2 3.11Å
160A98.4Very high97.4Very high3 Ų353.4 Ų53.43%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-136.2143.7175.400000111.3A32 V33 A165 V168 L172A32-A160 CarbonylContact O-C 3.58Å; A32-A160 VanDerWaalsContact O-CA 3.25Å; A32-A160 WeakPolarHBondContact O-CA 3.33Å; V33-A160 HydrophobicContact CG2-CB 4.15Å; A160-A165 HydrophobicContact CB-CB 4.29Å; A160-V168 HydrophobicContact CB-CB 3.89Å; A160-V168 HydrophobicContact CB-CG1 3.71Å; A160-L172 HydrophobicContact CB-CD1 4.46Å
161I98.3Very high97.5Very high10 Ų1053.2 Ų53.25%0.05127%0.272CS..EExtended strand (participates in β ladder)trans-131.7163.6175.561.6169.9000110.8T31 A32 A74 S130 L132 Q146T31-I161 CarbonylContact C-O 3.59Å; T31-I161 WeakPolarHBondContact CA-O 3.5Å; A32-I161 HydrophobicContact CB-CD1 4.37Å; A32-I161 HydrophobicContact CB-CG1 3.87Å; A32-I161 PolarHBondContact N-O 2.91Å; A32-I161 PolarHBondContact O-N 3.15Å; A74-I161 HydrophobicContact CB-CB 4.43Å; A74-I161 HydrophobicContact CB-CD1 3.82Å; A74-I161 HydrophobicContact CB-CG1 3.92Å; S130-I161 WeakPolarHBondContact O-CD1 3.48Å; L132-I161 HydrophobicContact CD1-CG1 4.21Å; L132-I161 HydrophobicContact CD2-CG2 4Å; L132-I161 HydrophobicContact CG-CD1 3.94Å; L132-I161 HydrophobicContact CG-CG1 4.02Å; L132-I161 HydrophobicContact CG-CG2 4.38Å; Q146-I161 HydrophobicContact CG-CG2 4Å
162G96.9Very high97.5Very high8 Ų852.8 Ų52.88%0.08227%0.267CS..SBendtrans91.3-162.7-179.700000113.6V26 A165V26-G162 WeakPolarHBondContact O-CA 3.46Å; G162-A165 VanDerWaalsContact O-CB 3.28Å; G162-A165 WeakPolarHBondContact O-CB 3.47Å; G162-A165 PolarHBondContact O-N 3.37Å
163R95.4Very high97.5Very high107 Ų10756.3 Ų56.340%0.40428%0.279SS..THydrogen-bonded Turntrans-61.6143.7178.571.2-177.3-175.4163.21.2111.1K27 G29 T31 E46 A165K27-R163 WeakPolarHBondContact O-CA 3.44Å; K27-R163 WeakPolarHBondContact O-CB 3.45Å; K27-R163 PolarHBondContact O-N 3.33Å; G29-R163 WeakPolarHBondContact O-CB 3.37Å; G29-R163 WeakPolarHBondContact O-CG 3.36Å; G29-R163 PolarHBondContact O-N 2.88Å; T31-R163 WeakPolarHBondContact OG1-CG 3.32Å; T31-R163 PolarHBondContact OG1-O 3.31Å; E46-R163 IonicContact OE1-CZ 3.57Å; E46-R163 IonicContact OE1-NE 3.45Å; E46-R163 IonicContact OE1-NH2 2.82Å; E46-R163 PolarHBondContact OE1-NH2 2.87Å; E46-R163 IonicContact OE2-CZ 3.65Å; E46-R163 IonicContact OE2-NE 3.76Å; E46-R163 PolarHBondContact OE2-NE 3.39Å; E46-R163 IonicContact OE2-NH2 2.75Å; E46-R163 PolarHBondContact OE2-NH2 3.16Å; E46-R163 VanDerWaalsContact OE2-NH2 3.16Å; R163-A165 PolarHBondContact O-N 3.4Å
164G94.6Very high97.4Very high36 Ų3661 Ų6137%0.37130%0.301SS..THydrogen-bonded Turntrans64.96.8179.200000115.1K166 S167 V168G164-K166 PolarHBondContact O-N 2.9Å; G164-S167 PolarHBondContact O-N 2.84Å; G164-S167 VanDerWaalsContact O-N 3.12Å; G164-S167 PolarHBondContact O-OG 2.86Å; G164-V168 PolarHBondContact O-N 2.76Å
165A96.3Very high97.4Very high12 Ų1259.1 Ų59.110%0.09929%0.294CS..Hα-helixtrans-57.5-26.7-177.200000113.7A160 G162 R163 R169A160-A165 HydrophobicContact CB-CB 4.29Å; G162-A165 VanDerWaalsContact O-CB 3.28Å; G162-A165 WeakPolarHBondContact O-CB 3.47Å; G162-A165 PolarHBondContact O-N 3.37Å; R163-A165 PolarHBondContact O-N 3.4Å; A165-R169 WeakPolarHBondContact O-CB 3.26Å; A165-R169 PolarHBondContact O-N 2.95Å
166K95.9Very high97.3Very high143 Ų14358.2 Ų58.262%0.62228%0.277SS*.Hα-helixtrans-62.8-52.5175.7-175.2-178.6174-174.90111.9G164 V168 R169 E170G164-K166 PolarHBondContact O-N 2.9Å; K166-V168 VanDerWaalsContact C-N 3.33Å; K166-V168 PolarHBondContact O-N 3.16Å; K166-R169 PolarHBondContact O-N 3.02Å; K166-E170 WeakPolarHBondContact CE-OE1 3.25Å; K166-E170 WeakPolarHBondContact O-CG 3.33Å; K166-E170 PolarHBondContact O-N 3.18Å; K166-E170 VanDerWaalsContact O-N 3.08Å
167S96.5Very high97.2Very high53 Ų5356.6 Ų56.637%0.37128%0.277SS..Hα-helixtrans-65-39.6179.751.90000111.5G164 R169 E170 F171G164-S167 PolarHBondContact O-N 2.84Å; G164-S167 VanDerWaalsContact O-N 3.12Å; G164-S167 PolarHBondContact O-OG 2.86Å; S167-R169 VanDerWaalsContact C-N 3.31Å; S167-R169 PolarHBondContact O-N 3.33Å; S167-E170 PolarHBondContact O-N 2.63Å; S167-F171 PolarHBondContact O-N 2.59Å
168V97.8Very high97Very high0 Ų055.5 Ų55.50%028%0.278CS..Hα-helixtrans-62.8-38.2176.1-176.10000111.8T31 V33 A160 G164 K166 F171 L172 A194 V198T31-V168 HydrophobicContact CG2-CG2 4.11Å; V33-V168 HydrophobicContact CG2-CG1 3.69Å; A160-V168 HydrophobicContact CB-CB 3.89Å; A160-V168 HydrophobicContact CB-CG1 3.71Å; G164-V168 PolarHBondContact O-N 2.76Å; K166-V168 VanDerWaalsContact C-N 3.33Å; K166-V168 PolarHBondContact O-N 3.16Å; V168-F171 WeakPolarHBondContact O-CB 3.44Å; V168-F171 PolarHBondContact O-N 3.16Å; V168-L172 HydrophobicContact CG1-CD1 4.07Å; V168-L172 HydrophobicContact CG1-CG 4.41Å; V168-L172 VanDerWaalsContact O-CG 3.29Å; V168-L172 WeakPolarHBondContact O-CG 3.43Å; V168-L172 PolarHBondContact O-N 3.2Å; V168-A194 HydrophobicContact CG1-CB 3.98Å; V168-V198 HydrophobicContact CG2-CG1 3.6Å; V168-V198 HydrophobicContact CG2-CG2 4.13Å
169R97.5Very high96.8Very high78 Ų7860.6 Ų60.629%0.29430%0.299SS..Hα-helixtrans-67.7-42.8177.2-157.7-175.1-43.995.96.6112A165 K166 S167 F171 L172 E173A165-R169 WeakPolarHBondContact O-CB 3.26Å; A165-R169 PolarHBondContact O-N 2.95Å; K166-R169 PolarHBondContact O-N 3.02Å; S167-R169 VanDerWaalsContact C-N 3.31Å; S167-R169 PolarHBondContact O-N 3.33Å; R169-F171 PolarHBondContact O-N 3.33Å; R169-L172 PolarHBondContact O-N 2.86Å; R169-L172 VanDerWaalsContact O-N 3.14Å; R169-E173 WeakPolarHBondContact O-CG 3.45Å; R169-E173 PolarHBondContact O-N 3Å
170E97.8Very high96.5Very high83 Ų8361.5 Ų61.539%0.38831%0.307SS..Hα-helixtrans-60.9-33.7174.6-70170.4-167.900112.1K166 S167 K174K166-E170 WeakPolarHBondContact CE-OE1 3.25Å; K166-E170 WeakPolarHBondContact O-CG 3.33Å; K166-E170 PolarHBondContact O-N 3.18Å; K166-E170 VanDerWaalsContact O-N 3.08Å; S167-E170 PolarHBondContact O-N 2.63Å; E170-K174 WeakPolarHBondContact O-CG 3.39Å
171F97.9Very high96.3Very high30 Ų3061.8 Ų61.813%0.13231%0.308CS..Hα-helixtrans-66.9-51.2170.3174.4-89.1000111.4S167 V168 R169 E173 K174 N175 L190 K193 A194 E197S167-F171 PolarHBondContact O-N 2.59Å; V168-F171 WeakPolarHBondContact O-CB 3.44Å; V168-F171 PolarHBondContact O-N 3.16Å; R169-F171 PolarHBondContact O-N 3.33Å; F171-E173 VanDerWaalsContact C-N 3.28Å; F171-E173 PolarHBondContact O-N 3.49Å; F171-K174 PolarHBondContact O-N 3.47Å; F171-N175 HydrophobicContact CD1-CB 4.41Å; F171-N175 HydrophobicContact CE1-CB 3.96Å; F171-N175 WeakPolarHBondContact CE2-OD1 3.36Å; F171-N175 HydrophobicContact CZ-CB 4.01Å; F171-N175 WeakPolarHBondContact O-CB 3.35Å; F171-N175 PolarHBondContact O-N 3.4Å; F171-N175 PolarHBondContact O-OD1 2.98Å; F171-L190 HydrophobicContact CE1-CD1 4.04Å; F171-K193 HydrophobicContact CE1-CB 4.14Å; F171-K193 HydrophobicContact CZ-CB 3.7Å; F171-A194 HydrophobicContact CD1-CB 3.71Å; F171-A194 HydrophobicContact CE1-CB 3.78Å; F171-E197 HydrophobicContact CB-CG 4.27Å; F171-E197 HydrophobicContact CD2-CG 3.8Å; F171-E197 HydrophobicContact CE2-CG 4.33Å; F171-E197 HydrophobicContact CG-CG 3.96Å
172L98Very high96.1Very high5 Ų566.9 Ų66.93%0.02633%0.331CS..Hα-helixtrans-60.1-37.3-179.7-71.2167.4000112.3V33 V35 A158 A160 V168 R169 K174 N175 Y176 L190 A194V33-L172 HydrophobicContact CG1-CD1 4.02Å; V35-L172 HydrophobicContact CG2-CD2 3.97Å; A158-L172 HydrophobicContact CB-CB 4.43Å; A158-L172 HydrophobicContact CB-CD1 4.21Å; A158-L172 HydrophobicContact CB-CD2 4.22Å; A160-L172 HydrophobicContact CB-CD1 4.46Å; V168-L172 HydrophobicContact CG1-CD1 4.07Å; V168-L172 HydrophobicContact CG1-CG 4.41Å; V168-L172 VanDerWaalsContact O-CG 3.29Å; V168-L172 WeakPolarHBondContact O-CG 3.43Å; V168-L172 PolarHBondContact O-N 3.2Å; R169-L172 PolarHBondContact O-N 2.86Å; R169-L172 VanDerWaalsContact O-N 3.14Å; L172-K174 PolarHBondContact O-N 2.86Å; L172-N175 PolarHBondContact O-N 3.25Å; L172-Y176 WeakPolarHBondContact O-CB 3.21Å; L172-Y176 PolarHBondContact O-N 3.42Å; L172-L190 HydrophobicContact CD2-CG 4.49Å; L172-A194 HydrophobicContact CD2-CB 3.91Å; L172-A194 HydrophobicContact CG-CB 4.29Å
173E97.5Very high96Very high139 Ų13969.4 Ų69.465%0.6535%0.345SS*.Hα-helixtrans-60.4-32.8175.7-76.5168.5-16900112.8R169 F171R169-E173 WeakPolarHBondContact O-CG 3.45Å; R169-E173 PolarHBondContact O-N 3Å; F171-E173 VanDerWaalsContact C-N 3.28Å; F171-E173 PolarHBondContact O-N 3.49Å
174K97.2Very high95.9Very high164 Ų16466.6 Ų66.671%0.71334%0.338SS*.Hα-helixtrans-86.5-25.6178.8-66.3171.6-173.2171.50113.2E170 F171 L172E170-K174 WeakPolarHBondContact O-CG 3.39Å; F171-K174 PolarHBondContact O-N 3.47Å; L172-K174 PolarHBondContact O-N 2.86Å
175N96.8Very high96Very high61 Ų6168.8 Ų68.833%0.32634%0.341SS..Hα-helixtrans-113.8-12.6-166.7-7285.2000114.3F171 L172 T177 A180 L190F171-N175 HydrophobicContact CD1-CB 4.41Å; F171-N175 HydrophobicContact CE1-CB 3.96Å; F171-N175 WeakPolarHBondContact CE2-OD1 3.36Å; F171-N175 HydrophobicContact CZ-CB 4.01Å; F171-N175 WeakPolarHBondContact O-CB 3.35Å; F171-N175 PolarHBondContact O-N 3.4Å; F171-N175 PolarHBondContact O-OD1 2.98Å; L172-N175 PolarHBondContact O-N 3.25Å; N175-T177 PolarHBondContact O-N 3.26Å; N175-A180 WeakPolarHBondContact O-CB 3.48Å; N175-L190 HydrophobicContact CB-CD1 3.72Å
176Y97.1Very high96Very high46 Ų4671.3 Ų71.318%0.1835%0.353CS..  trans-81.195.2172-172.4-79.7000109.3V35 R36 K157 A158 L172 I181 L190V35-Y176 HydrophobicContact CG1-CD2 4.03Å; V35-Y176 HydrophobicContact CG1-CE2 3.86Å; R36-Y176 WeakPolarHBondContact O-CE2 3.41Å; R36-Y176 PolarHBondContact O-OH 3.24Å; K157-Y176 HydrophobicContact CB-CE1 3.88Å; K157-Y176 HydrophobicContact CB-CE2 4.24Å; K157-Y176 HydrophobicContact CD-CE1 3.93Å; K157-Y176 HydrophobicContact CG-CE1 4.43Å; A158-Y176 HydrophobicContact CB-CD2 3.67Å; A158-Y176 HydrophobicContact CB-CE2 4.06Å; A158-Y176 HydrophobicContact CB-CG 4.39Å; L172-Y176 WeakPolarHBondContact O-CB 3.21Å; L172-Y176 PolarHBondContact O-N 3.42Å; Y176-I181 HydrophobicContact CD2-CG2 4.06Å; Y176-I181 HydrophobicContact CE1-CD1 4.28Å; Y176-I181 HydrophobicContact CE2-CD1 4.49Å; Y176-I181 HydrophobicContact CE2-CG2 3.81Å; Y176-L190 HydrophobicContact CD2-CD2 4.21Å
177T96.6Very high96.1Very high60 Ų6064.5 Ų64.537%0.36832%0.323SS..  trans-125164.7172.873.50000110.1N175 E179 A180 I181N175-T177 PolarHBondContact O-N 3.26Å; T177-E179 WeakPolarHBondContact CB-OE2 3.28Å; T177-E179 PolarHBondContact O-N 2.93Å; T177-E179 PolarHBondContact OG1-OE2 3.28Å; T177-A180 WeakPolarHBondContact O-CB 3.32Å; T177-A180 PolarHBondContact O-N 2.85Å; T177-A180 PolarHBondContact OG1-N 3.19Å; T177-I181 WeakPolarHBondContact O-CG1 3.35Å; T177-I181 PolarHBondContact O-N 2.86Å
178D94.1Very high96.1Very high107 Ų10762 Ų6257%0.57231%0.306SS*.THydrogen-bonded Turntrans-61.5-30.7-178.8-69.9-37000112.3E182D178-E182 PolarHBondContact O-N 3.17Å; D178-E182 VanDerWaalsContact O-N 3.16Å
179E93.9Very high96Very high124 Ų12463.1 Ų63.158%0.57931%0.311SS*.THydrogen-bonded Turntrans-71.6-37.1173.6-52.576.9-166.300111.6T177 I181 E182 L186T177-E179 WeakPolarHBondContact CB-OE2 3.28Å; T177-E179 PolarHBondContact O-N 2.93Å; T177-E179 PolarHBondContact OG1-OE2 3.28Å; E179-I181 PolarHBondContact O-N 2.94Å; E179-E182 PolarHBondContact O-N 2.95Å; E179-L186 WeakPolarHBondContact O-CD1 3.42Å
180A92Very high96Very high23 Ų2359.8 Ų59.819%0.1930%0.299CS..THydrogen-bonded Turntrans-70.4-17.6-179.500000113.3N175 T177 L186 L190N175-A180 WeakPolarHBondContact O-CB 3.48Å; T177-A180 WeakPolarHBondContact O-CB 3.32Å; T177-A180 PolarHBondContact O-N 2.85Å; T177-A180 PolarHBondContact OG1-N 3.19Å; A180-L186 CarbonylContact O-C 3.54Å; A180-L186 WeakPolarHBondContact O-CB 3.34Å; A180-L190 HydrophobicContact CB-CD2 4.31Å
181I95.3Very high96Very high9 Ų955.8 Ų55.85%0.04628%0.28CS..THydrogen-bonded Turntrans-118.513.4178.165.2156.6000113.3V35 Y176 T177 E179 T183 L190V35-I181 HydrophobicContact CG1-CG2 4.27Å; Y176-I181 HydrophobicContact CD2-CG2 4.06Å; Y176-I181 HydrophobicContact CE1-CD1 4.28Å; Y176-I181 HydrophobicContact CE2-CD1 4.49Å; Y176-I181 HydrophobicContact CE2-CG2 3.81Å; T177-I181 WeakPolarHBondContact O-CG1 3.35Å; T177-I181 PolarHBondContact O-N 2.86Å; E179-I181 PolarHBondContact O-N 2.94Å; I181-T183 VanDerWaalsContact C-N 3.27Å; I181-T183 PolarHBondContact O-N 2.98Å; I181-L190 HydrophobicContact CG2-CD2 4.15Å
182E92.2Very high95.9Very high116 Ų11654.4 Ų54.454%0.54227%0.274SS..SBendtrans-63.5-36.7-176.3-176.9173.7-159.100111.8D178 E179D178-E182 PolarHBondContact O-N 3.17Å; D178-E182 VanDerWaalsContact O-N 3.16Å; E179-E182 PolarHBondContact O-N 2.95Å
183T95.1Very high95.8Very high61 Ų6156.5 Ų56.537%0.37428%0.283SS..SBendtrans-124.1159-18071.90000111.7I181 D185 L186 T187I181-T183 VanDerWaalsContact C-N 3.27Å; I181-T183 PolarHBondContact O-N 2.98Å; T183-D185 VanDerWaalsContact C-N 3.3Å; T183-D185 PolarHBondContact O-N 3.08Å; T183-L186 HydrophobicContact CG2-CD1 4.45Å; T183-L186 PolarHBondContact O-N 3.24Å; T183-L186 VanDerWaalsContact OG1-CG 3.27Å; T183-L186 WeakPolarHBondContact OG1-CG 3.39Å; T183-L186 PolarHBondContact OG1-N 2.85Å; T183-T187 PolarHBondContact O-N 3.4Å; T183-T187 PolarHBondContact O-OG1 3.16Å
184D95.1Very high95.7Very high48 Ų4849.9 Ų49.926%0.25725%0.252SS..Hα-helixtrans-56.2-45.3175-74.68.9000112.3I40 L186 T187 I188 R212I40-D184 HydrophobicContact CD1-CB 3.77Å; I40-D184 WeakPolarHBondContact CG2-OD1 3.43Å; D184-L186 PolarHBondContact O-N 3.14Å; D184-T187 PolarHBondContact O-N 2.91Å; D184-I188 VanDerWaalsContact O-CG1 3.28Å; D184-I188 WeakPolarHBondContact O-CG1 3.39Å; D184-I188 PolarHBondContact O-N 3.34Å; D184-R212 IonicContact OD2-CZ 3.59Å; D184-R212 IonicContact OD2-NE 2.76Å; D184-R212 PolarHBondContact OD2-NE 3.35Å; D184-R212 IonicContact OD2-NH2 3.63Å; D184-R212 PolarHBondContact OD2-NH2 3Å
185D95.6Very high95.6Very high82 Ų8242.1 Ų42.144%0.43922%0.218SC..Hα-helixtrans-65.2-40.3-178.6-74.2-36.1000112T183 T187 I188 K189 Y228T183-D185 VanDerWaalsContact C-N 3.3Å; T183-D185 PolarHBondContact O-N 3.08Å; D185-T187 VanDerWaalsContact C-N 3.35Å; D185-I188 PolarHBondContact O-N 3.07Å; D185-K189 WeakPolarHBondContact O-CB 3.48Å; D185-K189 VanDerWaalsContact O-CG 3.32Å; D185-K189 WeakPolarHBondContact O-CG 3.47Å; D185-K189 PolarHBondContact O-N 3.23Å; D185-Y228 HydrophobicContact CB-CE1 4.37Å; D185-Y228 PolarHBondContact OD1-OH 3.42Å
186L96Very high95.4Very high65 Ų6540.9 Ų40.934%0.3421%0.211SC..Hα-helixtrans-66.9-38.7176-68.2173.9000111.4E179 A180 T183 D184 K189 L190E179-L186 WeakPolarHBondContact O-CD1 3.42Å; A180-L186 CarbonylContact O-C 3.54Å; A180-L186 WeakPolarHBondContact O-CB 3.34Å; T183-L186 HydrophobicContact CG2-CD1 4.45Å; T183-L186 PolarHBondContact O-N 3.24Å; T183-L186 VanDerWaalsContact OG1-CG 3.27Å; T183-L186 WeakPolarHBondContact OG1-CG 3.39Å; T183-L186 PolarHBondContact OG1-N 2.85Å; D184-L186 PolarHBondContact O-N 3.14Å; L186-K189 PolarHBondContact O-N 3.47Å; L186-L190 WeakPolarHBondContact O-CB 3.19Å; L186-L190 PolarHBondContact O-N 3.33Å
187T97.6Very high95.1Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-63.2-43.7176.1-53.30000111.4V35 I40 V42 T183 D184 D185 L190 V191V35-T187 HydrophobicContact CB-CG2 4.4Å; V35-T187 HydrophobicContact CG1-CG2 3.79Å; I40-T187 HydrophobicContact CG2-CG2 4.05Å; V42-T187 HydrophobicContact CG2-CG2 3.92Å; T183-T187 PolarHBondContact O-N 3.4Å; T183-T187 PolarHBondContact O-OG1 3.16Å; D184-T187 PolarHBondContact O-N 2.91Å; D185-T187 VanDerWaalsContact C-N 3.35Å; T187-L190 PolarHBondContact O-N 3.46Å; T187-V191 PolarHBondContact O-N 3.27Å
188I97.3Very high94.7Very high1 Ų142.1 Ų42.11%0.00522%0.217CC..Hα-helixtrans-63-46.7175.1-66.7163.7000110.3I40 V42 D184 D185 L190 V191 I192 L208 V210 L220 Y228I40-I188 HydrophobicContact CD1-CD1 4.24Å; I40-I188 HydrophobicContact CD1-CG1 4.16Å; V42-I188 HydrophobicContact CG2-CG1 4.06Å; D184-I188 VanDerWaalsContact O-CG1 3.28Å; D184-I188 WeakPolarHBondContact O-CG1 3.39Å; D184-I188 PolarHBondContact O-N 3.34Å; D185-I188 PolarHBondContact O-N 3.07Å; I188-L190 VanDerWaalsContact C-N 3.28Å; I188-L190 PolarHBondContact O-N 3.41Å; I188-V191 PolarHBondContact O-N 3.01Å; I188-I192 HydrophobicContact CG2-CD1 3.91Å; I188-I192 WeakPolarHBondContact O-CG1 3.44Å; I188-I192 PolarHBondContact O-N 3.02Å; I188-L208 HydrophobicContact CG2-CD1 4.32Å; I188-L208 HydrophobicContact CG2-CD2 4.15Å; I188-V210 HydrophobicContact CD1-CG2 3.9Å; I188-V210 HydrophobicContact CG1-CG2 3.95Å; I188-L220 HydrophobicContact CG2-CD1 4.38Å; I188-Y228 HydrophobicContact CG2-CD1 4.39Å; I188-Y228 HydrophobicContact CG2-CD2 3.99Å; I188-Y228 HydrophobicContact CG2-CE1 4.3Å; I188-Y228 HydrophobicContact CG2-CE2 3.91Å; I188-Y228 HydrophobicContact CG2-CG 4.25Å
189K96.3Very high94.3Very high23 Ų2337.5 Ų37.510%0.119%0.193CC..Hα-helixtrans-58.6-39.1176.1-77.2-179.7177.7-174.60111.9D185 L186 I192 K193 Y228 E231 I232 E235D185-K189 WeakPolarHBondContact O-CB 3.48Å; D185-K189 VanDerWaalsContact O-CG 3.32Å; D185-K189 WeakPolarHBondContact O-CG 3.47Å; D185-K189 PolarHBondContact O-N 3.23Å; L186-K189 PolarHBondContact O-N 3.47Å; K189-I192 PolarHBondContact O-N 3.36Å; K189-K193 WeakPolarHBondContact O-CB 3.45Å; K189-K193 VanDerWaalsContact O-CG 3.24Å; K189-K193 WeakPolarHBondContact O-CG 3.41Å; K189-K193 PolarHBondContact O-N 3.02Å; K189-Y228 HydrophobicContact CG-CD1 3.95Å; K189-E231 WeakPolarHBondContact CE-OE2 3.44Å; K189-E231 IonicContact NZ-OE2 3.36Å; K189-E231 PolarHBondContact NZ-OE2 3.11Å; K189-I232 HydrophobicContact CB-CD1 4.28Å; K189-I232 HydrophobicContact CB-CG1 4.41Å; K189-I232 HydrophobicContact CG-CD1 4.24Å; K189-I232 HydrophobicContact CG-CG1 4.16Å; K189-E235 IonicContact NZ-OE1 3.57Å; K189-E235 PolarHBondContact NZ-OE1 3.12Å
190L97.4Very high93.3Very high8 Ų840.8 Ų40.84%0.04221%0.208CC..Hα-helixtrans-62.2-44.1177.6179.859.9000111.6V35 F171 L172 N175 Y176 A180 I181 L186 T187 I188 K193 A194V35-L190 HydrophobicContact CG1-CD2 4.13Å; F171-L190 HydrophobicContact CE1-CD1 4.04Å; L172-L190 HydrophobicContact CD2-CG 4.49Å; N175-L190 HydrophobicContact CB-CD1 3.72Å; Y176-L190 HydrophobicContact CD2-CD2 4.21Å; A180-L190 HydrophobicContact CB-CD2 4.31Å; I181-L190 HydrophobicContact CG2-CD2 4.15Å; L186-L190 WeakPolarHBondContact O-CB 3.19Å; L186-L190 PolarHBondContact O-N 3.33Å; T187-L190 PolarHBondContact O-N 3.46Å; I188-L190 VanDerWaalsContact C-N 3.28Å; I188-L190 PolarHBondContact O-N 3.41Å; L190-K193 PolarHBondContact O-N 3.02Å; L190-A194 WeakPolarHBondContact O-CB 3.41Å; L190-A194 PolarHBondContact O-N 2.86Å
191V97.6Very high92.2Very high0 Ų043.3 Ų43.30%022%0.224CC..Hα-helixtrans-62.9-43.4175.8173.20000111.7V35 V42 T187 I188 A194 L195 L208V35-V191 HydrophobicContact CB-CG2 3.6Å; V35-V191 HydrophobicContact CG2-CG2 3.46Å; V35-V191 VanDerWaalsContact CG2-CG2 3.46Å; V42-V191 HydrophobicContact CB-CG2 3.87Å; V42-V191 HydrophobicContact CG1-CB 4.03Å; V42-V191 HydrophobicContact CG1-CG1 4.14Å; V42-V191 HydrophobicContact CG1-CG2 3.71Å; T187-V191 PolarHBondContact O-N 3.27Å; I188-V191 PolarHBondContact O-N 3.01Å; V191-A194 PolarHBondContact O-N 3.32Å; V191-L195 HydrophobicContact CG1-CD1 4.37Å; V191-L195 PolarHBondContact O-N 2.62Å; V191-L208 HydrophobicContact CG1-CD1 4.11Å
192I95.9Very high91Very high0 Ų044 Ų440%023%0.233CC..Hα-helixtrans-64.9-45.9178-64.4169.8000110.5I188 K189 A194 L195 L196 I206 L208 Y228 V229 I232I188-I192 HydrophobicContact CG2-CD1 3.91Å; I188-I192 WeakPolarHBondContact O-CG1 3.44Å; I188-I192 PolarHBondContact O-N 3.02Å; K189-I192 PolarHBondContact O-N 3.36Å; I192-A194 VanDerWaalsContact C-N 3.29Å; I192-A194 PolarHBondContact O-N 3.42Å; I192-L195 PolarHBondContact O-N 3.3Å; I192-L196 HydrophobicContact CG2-CD1 3.9Å; I192-L196 HydrophobicContact CG2-CG 4.23Å; I192-L196 VanDerWaalsContact O-CG 3.31Å; I192-L196 WeakPolarHBondContact O-CG 3.42Å; I192-L196 PolarHBondContact O-N 2.87Å; I192-I206 HydrophobicContact CG2-CD1 4.29Å; I192-L208 HydrophobicContact CD1-CD1 3.93Å; I192-L208 HydrophobicContact CG1-CD1 3.39Å; I192-Y228 HydrophobicContact CD1-CD2 4.25Å; I192-Y228 HydrophobicContact CD1-CG 3.99Å; I192-V229 HydrophobicContact CG2-CG2 3.75Å; I192-I232 HydrophobicContact CB-CD1 3.76Å; I192-I232 HydrophobicContact CG2-CD1 3.52Å
193K95.2Very high90.2Very high50 Ų5039 Ų3922%0.21721%0.213CC..Hα-helixtrans-55.9-45175.2-72.7174.1-173.6-178.80110.7F171 K189 L190 L195 L196 E197 I232 E235F171-K193 HydrophobicContact CE1-CB 4.14Å; F171-K193 HydrophobicContact CZ-CB 3.7Å; K189-K193 WeakPolarHBondContact O-CB 3.45Å; K189-K193 VanDerWaalsContact O-CG 3.24Å; K189-K193 WeakPolarHBondContact O-CG 3.41Å; K189-K193 PolarHBondContact O-N 3.02Å; L190-K193 PolarHBondContact O-N 3.02Å; K193-L195 PolarHBondContact O-N 2.79Å; K193-L196 PolarHBondContact O-N 2.89Å; K193-E197 PolarHBondContact O-N 3.46Å; K193-I232 HydrophobicContact CD-CG2 4.42Å; K193-I232 HydrophobicContact CG-CD1 4.01Å; K193-I232 HydrophobicContact CG-CG1 4.22Å; K193-I232 HydrophobicContact CG-CG2 3.78Å; K193-E235 IonicContact NZ-OE2 2.63Å; K193-E235 PolarHBondContact NZ-OE2 3.48Å
194A96.2Very high89.6Confident0 Ų043.6 Ų43.60%023%0.228CC..Hα-helixtrans-64-37.5178.600000113.3V33 V168 F171 L172 L190 V191 I192V33-A194 HydrophobicContact CG1-CB 4.32Å; V168-A194 HydrophobicContact CG1-CB 3.98Å; F171-A194 HydrophobicContact CD1-CB 3.71Å; F171-A194 HydrophobicContact CE1-CB 3.78Å; L172-A194 HydrophobicContact CD2-CB 3.91Å; L172-A194 HydrophobicContact CG-CB 4.29Å; L190-A194 WeakPolarHBondContact O-CB 3.41Å; L190-A194 PolarHBondContact O-N 2.86Å; V191-A194 PolarHBondContact O-N 3.32Å; I192-A194 VanDerWaalsContact C-N 3.29Å; I192-A194 PolarHBondContact O-N 3.42Å
195L94.8Very high89.2Confident0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-72.7-35.6175.3-77.3174.3000112.8T31 V33 V191 I192 K193 E197 V198 V199 I206T31-L195 HydrophobicContact CG2-CD2 4.48Å; V33-L195 HydrophobicContact CB-CD2 4.46Å; V33-L195 HydrophobicContact CG2-CD2 3.71Å; V33-L195 HydrophobicContact CG2-CG 4.1Å; V191-L195 HydrophobicContact CG1-CD1 4.37Å; V191-L195 PolarHBondContact O-N 2.62Å; I192-L195 PolarHBondContact O-N 3.3Å; K193-L195 PolarHBondContact O-N 2.79Å; L195-E197 PolarHBondContact O-N 2.91Å; L195-V198 VanDerWaalsContact O-CG2 3.22Å; L195-V198 WeakPolarHBondContact O-CG2 3.43Å; L195-V198 PolarHBondContact O-N 3.37Å; L195-V199 WeakPolarHBondContact O-CB 3.4Å; L195-V199 WeakPolarHBondContact O-CG2 3.16Å; L195-V199 PolarHBondContact O-N 3.38Å; L195-I206 HydrophobicContact CB-CD1 4.15Å; L195-I206 HydrophobicContact CD1-CG1 4.37Å; L195-I206 HydrophobicContact CD1-CG2 3.73Å
196L92.7Very high89Confident36 Ų3639 Ų3919%0.18820%0.203CC..Hα-helixtrans-64.8-16.8177.8-71.6173.3000113.2I192 K193 V198 I206 I232I192-L196 HydrophobicContact CG2-CD1 3.9Å; I192-L196 HydrophobicContact CG2-CG 4.23Å; I192-L196 VanDerWaalsContact O-CG 3.31Å; I192-L196 WeakPolarHBondContact O-CG 3.42Å; I192-L196 PolarHBondContact O-N 2.87Å; K193-L196 PolarHBondContact O-N 2.89Å; L196-V198 PolarHBondContact O-N 3.08Å; L196-I206 HydrophobicContact CD2-CD1 4.12Å; L196-I206 HydrophobicContact CG-CD1 4.37Å; L196-I232 HydrophobicContact CD1-CG2 4.43Å
197E90.4Very high88.9Confident98 Ų9836.7 Ų36.746%0.45819%0.19SC..THydrogen-bonded Turntrans-65.7-20.7170.8-64.7-61.6127.500113.2F171 K193 L195F171-E197 HydrophobicContact CB-CG 4.27Å; F171-E197 HydrophobicContact CD2-CG 3.8Å; F171-E197 HydrophobicContact CE2-CG 4.33Å; F171-E197 HydrophobicContact CG-CG 3.96Å; K193-E197 PolarHBondContact O-N 3.46Å; L195-E197 PolarHBondContact O-N 2.91Å
198V89.3Confident88.8Confident34 Ų3436.7 Ų36.721%0.20619%0.19CC..THydrogen-bonded Turntrans-122.8-22.1-178-65.90000113.8T31 V168 L195 L196T31-V198 HydrophobicContact CG2-CG2 4.07Å; V168-V198 HydrophobicContact CG2-CG1 3.6Å; V168-V198 HydrophobicContact CG2-CG2 4.13Å; L195-V198 VanDerWaalsContact O-CG2 3.22Å; L195-V198 WeakPolarHBondContact O-CG2 3.43Å; L195-V198 PolarHBondContact O-N 3.37Å; L196-V198 PolarHBondContact O-N 3.08Å
199V84.8Confident88.7Confident10 Ų1036.7 Ų36.76%0.06119%0.19CC..  trans-88.5116.9-178.21780000110.9E46 L195 N205E46-V199 HydrophobicContact CB-CG2 4.09Å; E46-V199 HydrophobicContact CG-CG2 3.82Å; L195-V199 WeakPolarHBondContact O-CB 3.4Å; L195-V199 WeakPolarHBondContact O-CG2 3.16Å; L195-V199 PolarHBondContact O-N 3.38Å; V199-N205 HydrophobicContact CG1-CB 3.72Å
200Q72.5Confident88.8Confident192 Ų19235.6 Ų35.690%0.89719%0.186SC*.THydrogen-bonded Turntrans-79.1-17.3-175.9-67-179.8-18.800115.4
201S68.4Low88.8Confident77 Ų7735.4 Ų35.454%0.53819%0.185SC..THydrogen-bonded Turntrans-11825.5-167.3-40.70000114.9N205S201-N205 WeakPolarHBondContact CB-ND2 3.45Å; S201-N205 PolarHBondContact OG-ND2 2.98Å
202G70.5Confident88.7Confident22 Ų2238.1 Ų38.123%0.22720%0.195CC..G310 helixtrans67.6-161176.800000114.5K204 N205G202-K204 VanDerWaalsContact C-N 3.27Å; G202-K204 PolarHBondContact O-N 2.91Å; G202-K204 VanDerWaalsContact O-N 3.14Å; G202-N205 PolarHBondContact O-N 3.18Å
203G76Confident88.5Confident11 Ų1143.2 Ų43.211%0.11321%0.214CC..G310 helixtrans-60.2-23.2-169.500000116.6N205 I206G203-N205 PolarHBondContact O-N 3.32Å; G203-N205 VanDerWaalsContact O-N 3.17Å; G203-I206 PolarHBondContact O-N 3.27Å; G203-I206 VanDerWaalsContact O-N 3.1Å
204K81.8Confident88.1Confident159 Ų15947.9 Ų47.969%0.69124%0.242SC*.G310 helixtrans-63.7-23.4-177.9-67.6-179.4179.6177.10114.1G202G202-K204 VanDerWaalsContact C-N 3.27Å; G202-K204 PolarHBondContact O-N 2.91Å; G202-K204 VanDerWaalsContact O-N 3.14Å
205N87.4Confident87.9Confident23 Ų2352.9 Ų52.912%0.12327%0.265CS..G310 helixtrans-101.518.4-179.6-73-6.7000112.2K47 V199 S201 G202 G203K47-N205 PolarHBondContact N-O 3.29Å; K47-N205 WeakPolarHBondContact O-CA 3.24Å; K47-N205 VanDerWaalsContact O-CB 3.25Å; K47-N205 WeakPolarHBondContact O-CB 3.23Å; V199-N205 HydrophobicContact CG1-CB 3.72Å; S201-N205 WeakPolarHBondContact CB-ND2 3.45Å; S201-N205 PolarHBondContact OG-ND2 2.98Å; G202-N205 PolarHBondContact O-N 3.18Å; G203-N205 PolarHBondContact O-N 3.32Å; G203-N205 VanDerWaalsContact O-N 3.17Å
206I91.6Very high87.7Confident9 Ų958 Ų585%0.04630%0.298CS..EExtended strand (participates in β ladder)trans-115.2126.4178.8-62.6177.9000108.8I192 L195 L196 G203 L208 I225I192-I206 HydrophobicContact CG2-CD1 4.29Å; L195-I206 HydrophobicContact CB-CD1 4.15Å; L195-I206 HydrophobicContact CD1-CG1 4.37Å; L195-I206 HydrophobicContact CD1-CG2 3.73Å; L196-I206 HydrophobicContact CD2-CD1 4.12Å; L196-I206 HydrophobicContact CG-CD1 4.37Å; G203-I206 PolarHBondContact O-N 3.27Å; G203-I206 VanDerWaalsContact O-N 3.1Å; I206-L208 HydrophobicContact CG2-CB 4.42Å; I206-L208 HydrophobicContact CG2-CD1 4.44Å; I206-I225 HydrophobicContact CB-CG2 4.27Å; I206-I225 HydrophobicContact CG2-CG2 4.29Å; I206-I225 WeakPolarHBondContact O-CD1 3.38Å
207E92.6Very high87.8Confident17 Ų1758.4 Ų58.48%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-105.5129.5164.2179173.410700107.5G44 V45 R60 K61 I62G44-E207 CarbonylContact C-O 3.57Å; G44-E207 WeakPolarHBondContact CA-O 3.23Å; V45-E207 PolarHBondContact N-O 3.39Å; V45-E207 PolarHBondContact O-N 2.93Å; R60-E207 WeakPolarHBondContact CG-OE2 3.48Å; K61-E207 PolarHBondContact N-OE1 3.29Å; I62-E207 HydrophobicContact CD1-CG 4.19Å; I62-E207 PolarHBondContact N-OE1 3.21Å
208L95.4Very high88.1Confident0 Ų058.1 Ų58.10%030%0.297CS..EExtended strand (participates in β ladder)trans-132.6131.3-176.2-153.4146.8000109.7V42 L43 I188 V191 I192 I206 V210 L220 I225V42-L208 HydrophobicContact CG1-CD2 3.48Å; V42-L208 VanDerWaalsContact CG1-CD2 3.48Å; V42-L208 HydrophobicContact CG1-CG 4.09Å; L43-L208 WeakPolarHBondContact O-CA 3.24Å; I188-L208 HydrophobicContact CG2-CD1 4.32Å; I188-L208 HydrophobicContact CG2-CD2 4.15Å; V191-L208 HydrophobicContact CG1-CD1 4.11Å; I192-L208 HydrophobicContact CD1-CD1 3.93Å; I192-L208 HydrophobicContact CG1-CD1 3.39Å; I206-L208 HydrophobicContact CG2-CB 4.42Å; I206-L208 HydrophobicContact CG2-CD1 4.44Å; L208-V210 HydrophobicContact CD2-CG2 3.73Å; L208-L220 HydrophobicContact CB-CD1 4.47Å; L208-L220 HydrophobicContact CD2-CD1 3.75Å; L208-L220 HydrophobicContact CD2-CG 4.18Å; L208-L220 PolarHBondContact O-N 3.36Å; L208-I225 HydrophobicContact CB-CD1 4.11Å; L208-I225 HydrophobicContact CB-CG1 4.43Å
209A96.3Very high88.3Confident1 Ų158.7 Ų58.71%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-125.5138.9174.200000110.3L43 I62 L217 K218 I219L43-A209 PolarHBondContact N-O 3.04Å; L43-A209 PolarHBondContact O-N 3.32Å; I62-A209 HydrophobicContact CB-CB 4.41Å; I62-A209 HydrophobicContact CD1-CB 3.54Å; I62-A209 HydrophobicContact CG2-CB 3.77Å; A209-L217 HydrophobicContact CB-CD1 3.81Å; A209-L217 HydrophobicContact CB-CG 4.41Å; A209-K218 CarbonylContact C-O 3.6Å; A209-K218 WeakPolarHBondContact CA-O 3.4Å; A209-I219 HydrophobicContact CB-CG1 4.16Å
210V97.5Very high88.7Confident1 Ų158.9 Ų58.91%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-119.3131.1-178.81770000107.9I40 V42 I188 L208 R212 K218 L220I40-V210 HydrophobicContact CD1-CG1 3.39Å; I40-V210 HydrophobicContact CG1-CG1 3.64Å; V42-V210 HydrophobicContact CG1-CG2 4.37Å; V42-V210 HydrophobicContact CG2-CG2 4.33Å; I188-V210 HydrophobicContact CD1-CG2 3.9Å; I188-V210 HydrophobicContact CG1-CG2 3.95Å; L208-V210 HydrophobicContact CD2-CG2 3.73Å; V210-R212 HydrophobicContact CG1-CG 4.19Å; V210-K218 PolarHBondContact N-O 3.16Å; V210-K218 PolarHBondContact O-N 3.04Å; V210-L220 HydrophobicContact CG2-CD1 4.42Å; V210-L220 HydrophobicContact CG2-CD2 4.29Å; V210-L220 HydrophobicContact CG2-CG 4.33Å
211M97.3Very high89.6Confident3 Ų354.5 Ų54.52%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-119128.2167-175.4-179.3-77.800107.5V41 C70 F136 L217V41-M211 HydrophobicContact CG2-CB 3.75Å; V41-M211 HydrophobicContact CG2-CG 4.4Å; V41-M211 PolarHBondContact N-O 2.87Å; V41-M211 PolarHBondContact O-N 3.17Å; C70-M211 HydrophobicContact CB-CE 3.94Å; F136-M211 HydrophobicContact CD2-CG 3.96Å; F136-M211 HydrophobicContact CD2-SD 4.08Å; F136-M211 HydrophobicContact CE2-CB 4.32Å; F136-M211 HydrophobicContact CE2-CG 3.87Å; F136-M211 WeakPolarHBondContact CE2-O 3.49Å; F136-M211 HydrophobicContact CE2-SD 4.47Å; M211-L217 HydrophobicContact CB-CD1 4.21Å; M211-L217 HydrophobicContact CE-CB 4.16Å; M211-L217 HydrophobicContact CE-CD1 4.19Å
212R95.9Very high90.5Very high58 Ų5854.9 Ų54.922%0.21928%0.283CS..EExtended strand (participates in β ladder)trans-110160.8173.4-67.3177.5175.487.56.4108.5I40 F136 D184 V210 D214 Q215I40-R212 HydrophobicContact CG1-CG 4.34Å; F136-R212 VanDerWaalsContact CE2-C 3.44Å; D184-R212 IonicContact OD2-CZ 3.59Å; D184-R212 IonicContact OD2-NE 2.76Å; D184-R212 PolarHBondContact OD2-NE 3.35Å; D184-R212 IonicContact OD2-NH2 3.63Å; D184-R212 PolarHBondContact OD2-NH2 3Å; V210-R212 HydrophobicContact CG1-CG 4.19Å; R212-D214 PolarHBondContact O-N 2.75Å; R212-Q215 HydrophobicContact CB-CB 4.16Å; R212-Q215 HydrophobicContact CB-CG 4.36Å; R212-Q215 PolarHBondContact O-N 3.45Å
213R91.3Very high91.5Very high106 Ų10661.4 Ų61.440%0.431%0.307SS..THydrogen-bonded Turntrans-53.8133.5173.3-168.7-172.1175.4141.911.9110.3D39 F136 D139 Q215D39-R213 PolarHBondContact O-N 2.89Å; F136-R213 HydrophobicContact CD1-CB 4.21Å; F136-R213 HydrophobicContact CD1-CG 4.45Å; F136-R213 HydrophobicContact CE1-CB 4.08Å; D139-R213 PolarHBondContact O-NH2 3.06Å; R213-Q215 PolarHBondContact O-N 3.03Å
214D88.1Confident92.3Very high149 Ų14963.9 Ų63.980%0.79732%0.316SS*.THydrogen-bonded Turntrans55.921.1176.5-51.8-40000115.2R212R212-D214 PolarHBondContact O-N 2.75Å
215Q92.1Very high92.8Very high105 Ų10556.5 Ų56.549%0.49128%0.284SS..SBendtrans-124.6144.1176.8-66.2-177.117.100111R212 R213R212-Q215 HydrophobicContact CB-CB 4.16Å; R212-Q215 HydrophobicContact CB-CG 4.36Å; R212-Q215 PolarHBondContact O-N 3.45Å; R213-Q215 PolarHBondContact O-N 3.03Å
216P90.6Very high93Very high108 Ų10859.7 Ų59.770%0.70130%0.298SS*.PPolyproline II helixtrans-64.6156.3176.329-35.3000111K218P216-K218 PolarHBondContact O-N 2.76Å; P216-K218 VanDerWaalsContact O-N 3.13Å
217L95Very high93Very high43 Ų4365.8 Ų65.823%0.22532%0.324CS..PPolyproline II helixtrans-54.2118.2174.5-178.168000111I62 A64 C70 A209 M211I62-L217 HydrophobicContact CG2-CD2 4.38Å; A64-L217 HydrophobicContact CB-CD2 4.24Å; C70-L217 HydrophobicContact CB-CD1 4.15Å; C70-L217 HydrophobicContact CB-CD2 3.93Å; A209-L217 HydrophobicContact CB-CD1 3.81Å; A209-L217 HydrophobicContact CB-CG 4.41Å; M211-L217 HydrophobicContact CB-CD1 4.21Å; M211-L217 HydrophobicContact CE-CB 4.16Å; M211-L217 HydrophobicContact CE-CD1 4.19Å
218K95.8Very high93.1Very high92 Ų9266.6 Ų66.640%0.433%0.327SS..EExtended strand (participates in β ladder)trans-101.2116.1172.8-173.8-176.9173.5-171.60109.7A209 V210 P216 L220 E224A209-K218 CarbonylContact C-O 3.6Å; A209-K218 WeakPolarHBondContact CA-O 3.4Å; V210-K218 PolarHBondContact N-O 3.16Å; V210-K218 PolarHBondContact O-N 3.04Å; P216-K218 PolarHBondContact O-N 2.76Å; P216-K218 VanDerWaalsContact O-N 3.13Å; K218-L220 HydrophobicContact CD-CD2 4.11Å; K218-L220 HydrophobicContact CG-CD2 4.33Å; K218-E224 IonicContact NZ-OE1 3.73Å; K218-E224 PolarHBondContact NZ-OE1 2.8Å; K218-E224 IonicContact NZ-OE2 2.71Å
219I93.6Very high93Very high46 Ų4667.1 Ų67.124%0.23633%0.33CS..EExtended strand (participates in β ladder)trans-83.8125.5165.6-61.5170.5000107R60 A209R60-I219 VanDerWaalsContact NH1-CD1 3.29Å; A209-I219 HydrophobicContact CB-CG1 4.16Å
220L93.7Very high92.7Very high14 Ų1469 Ų697%0.07335%0.346CS..PPolyproline II helixtrans-72.5144.2-178.8-61.2-167000111.1I188 L208 V210 K218 E224 I225 Y228I188-L220 HydrophobicContact CG2-CD1 4.38Å; L208-L220 HydrophobicContact CB-CD1 4.47Å; L208-L220 HydrophobicContact CD2-CD1 3.75Å; L208-L220 HydrophobicContact CD2-CG 4.18Å; L208-L220 PolarHBondContact O-N 3.36Å; V210-L220 HydrophobicContact CG2-CD1 4.42Å; V210-L220 HydrophobicContact CG2-CD2 4.29Å; V210-L220 HydrophobicContact CG2-CG 4.33Å; K218-L220 HydrophobicContact CD-CD2 4.11Å; K218-L220 HydrophobicContact CG-CD2 4.33Å; L220-E224 WeakPolarHBondContact CA-OE2 3.32Å; L220-E224 HydrophobicContact CB-CB 4.39Å; L220-E224 WeakPolarHBondContact CD2-OE2 3.36Å; L220-I225 HydrophobicContact CB-CD1 4.27Å; L220-I225 HydrophobicContact CB-CG1 3.91Å; L220-I225 HydrophobicContact CD1-CG1 4.47Å; L220-Y228 HydrophobicContact CD1-CE2 4.19Å
221N90.9Very high92.5Very high100 Ų10071.9 Ų71.954%0.53536%0.359SS..PPolyproline II helixtrans-75.8155.2175.1-69.5-15.5000110.5E223 E224 I225N221-E223 PolarHBondContact O-N 3.26Å; N221-E223 VanDerWaalsContact O-N 3.17Å; N221-E224 HydrophobicContact CB-CG 4.48Å; N221-E224 PolarHBondContact N-OE2 3.3Å; N221-E224 PolarHBondContact O-N 3.36Å; N221-I225 PolarHBondContact O-N 2.9Å; N221-I225 VanDerWaalsContact O-N 3.17Å
222P88.3Confident92.2Very high85 Ų8571.8 Ų71.855%0.55236%0.359SS*.Hα-helixtrans-53.4-38.3178.9-27.835.7000113.7I225 E226P222-I225 PolarHBondContact O-N 3.14Å; P222-E226 WeakPolarHBondContact O-CG 3.5Å; P222-E226 PolarHBondContact O-N 3.26Å
223E90.7Very high91.9Very high159 Ų15974.2 Ų74.274%0.74337%0.373SS*.Hα-helixtrans-63.9-40.1178.1-62.7174.6-175.900112.8N221 I225 E226 K227N221-E223 PolarHBondContact O-N 3.26Å; N221-E223 VanDerWaalsContact O-N 3.17Å; E223-I225 VanDerWaalsContact C-N 3.34Å; E223-E226 PolarHBondContact O-N 3.45Å; E223-K227 PolarHBondContact O-N 2.91Å
224E93Very high91.9Very high63 Ų6375.8 Ų75.829%0.29438%0.382SS..Hα-helixtrans-64.9-42.4176.3-65.6179.3131.400110.2K218 L220 N221 K227 Y228K218-E224 IonicContact NZ-OE1 3.73Å; K218-E224 PolarHBondContact NZ-OE1 2.8Å; K218-E224 IonicContact NZ-OE2 2.71Å; L220-E224 WeakPolarHBondContact CA-OE2 3.32Å; L220-E224 HydrophobicContact CB-CB 4.39Å; L220-E224 WeakPolarHBondContact CD2-OE2 3.36Å; N221-E224 HydrophobicContact CB-CG 4.48Å; N221-E224 PolarHBondContact N-OE2 3.3Å; N221-E224 PolarHBondContact O-N 3.36Å; E224-K227 WeakPolarHBondContact O-CB 3.46Å; E224-K227 PolarHBondContact O-N 3.45Å; E224-Y228 WeakPolarHBondContact O-CD2 3.48Å; E224-Y228 PolarHBondContact O-N 2.55Å
225I92.3Very high92Very high5 Ų571.3 Ų71.33%0.02636%0.356CS..Hα-helixtrans-64.9-45177.8-61.1173.9000110.6I206 L208 L220 N221 P222 E223 K227 Y228 V229I206-I225 HydrophobicContact CB-CG2 4.27Å; I206-I225 HydrophobicContact CG2-CG2 4.29Å; I206-I225 WeakPolarHBondContact O-CD1 3.38Å; L208-I225 HydrophobicContact CB-CD1 4.11Å; L208-I225 HydrophobicContact CB-CG1 4.43Å; L220-I225 HydrophobicContact CB-CD1 4.27Å; L220-I225 HydrophobicContact CB-CG1 3.91Å; L220-I225 HydrophobicContact CD1-CG1 4.47Å; N221-I225 PolarHBondContact O-N 2.9Å; N221-I225 VanDerWaalsContact O-N 3.17Å; P222-I225 PolarHBondContact O-N 3.14Å; E223-I225 VanDerWaalsContact C-N 3.34Å; I225-K227 VanDerWaalsContact C-N 3.3Å; I225-K227 PolarHBondContact O-N 3.37Å; I225-Y228 PolarHBondContact O-N 2.95Å; I225-V229 HydrophobicContact CG2-CG2 4.38Å; I225-V229 WeakPolarHBondContact O-CG2 3.46Å; I225-V229 PolarHBondContact O-N 2.67Å
226E90.4Very high91.7Very high89 Ų8970.6 Ų70.642%0.41635%0.352SS..Hα-helixtrans-61.3-38.1177.7-77.6-175.7174.700112.1P222 E223 V229 A230P222-E226 WeakPolarHBondContact O-CG 3.5Å; P222-E226 PolarHBondContact O-N 3.26Å; E223-E226 PolarHBondContact O-N 3.45Å; E226-V229 PolarHBondContact O-N 3.42Å; E226-A230 WeakPolarHBondContact O-CB 3.14Å; E226-A230 PolarHBondContact O-N 3.35Å
227K93.3Very high91.6Very high137 Ų13770.6 Ų70.660%0.59634%0.342SS*.Hα-helixtrans-59-50.2173.5-177.1-174.2172.1-170.30111.5E223 E224 I225 V229 A230 E231E223-K227 PolarHBondContact O-N 2.91Å; E224-K227 WeakPolarHBondContact O-CB 3.46Å; E224-K227 PolarHBondContact O-N 3.45Å; I225-K227 VanDerWaalsContact C-N 3.3Å; I225-K227 PolarHBondContact O-N 3.37Å; K227-V229 VanDerWaalsContact C-N 3.32Å; K227-V229 PolarHBondContact O-N 3.06Å; K227-A230 PolarHBondContact O-N 3.11Å; K227-E231 WeakPolarHBondContact CE-OE1 3.48Å; K227-E231 WeakPolarHBondContact O-CG 3.14Å; K227-E231 PolarHBondContact O-N 3.38Å
228Y94.6Very high91.4Very high35 Ų3573.7 Ų73.714%0.13736%0.356CS..Hα-helixtrans-62.4-39.8178.1-74.7-68.4000112.1D185 I188 K189 I192 L220 E224 I225 E231 I232D185-Y228 HydrophobicContact CB-CE1 4.37Å; D185-Y228 PolarHBondContact OD1-OH 3.42Å; I188-Y228 HydrophobicContact CG2-CD1 4.39Å; I188-Y228 HydrophobicContact CG2-CD2 3.99Å; I188-Y228 HydrophobicContact CG2-CE1 4.3Å; I188-Y228 HydrophobicContact CG2-CE2 3.91Å; I188-Y228 HydrophobicContact CG2-CG 4.25Å; K189-Y228 HydrophobicContact CG-CD1 3.95Å; I192-Y228 HydrophobicContact CD1-CD2 4.25Å; I192-Y228 HydrophobicContact CD1-CG 3.99Å; L220-Y228 HydrophobicContact CD1-CE2 4.19Å; E224-Y228 WeakPolarHBondContact O-CD2 3.48Å; E224-Y228 PolarHBondContact O-N 2.55Å; I225-Y228 PolarHBondContact O-N 2.95Å; Y228-E231 PolarHBondContact O-N 2.86Å; Y228-I232 WeakPolarHBondContact O-CD1 3.38Å; Y228-I232 WeakPolarHBondContact O-CG1 3.5Å; Y228-I232 PolarHBondContact O-N 2.55Å
229V91.9Very high91Very high10 Ų1073.4 Ų73.46%0.06136%0.359CS..Hα-helixtrans-62.3-46177172.30000111I192 I225 E226 K227 E231 I232 E233I192-V229 HydrophobicContact CG2-CG2 3.75Å; I225-V229 HydrophobicContact CG2-CG2 4.38Å; I225-V229 WeakPolarHBondContact O-CG2 3.46Å; I225-V229 PolarHBondContact O-N 2.67Å; E226-V229 PolarHBondContact O-N 3.42Å; K227-V229 VanDerWaalsContact C-N 3.32Å; K227-V229 PolarHBondContact O-N 3.06Å; V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 PolarHBondContact O-N 2.94Å; V229-I232 WeakPolarHBondContact O-CB 3.43Å; V229-I232 PolarHBondContact O-N 3.16Å; V229-I232 VanDerWaalsContact O-N 3.16Å; V229-E233 PolarHBondContact O-N 3Å
230A91.6Very high90.6Very high41 Ų4176.9 Ų76.934%0.33937%0.374SS..Hα-helixtrans-62.9-37.8178.300000112.5E226 K227 K234E226-A230 WeakPolarHBondContact O-CB 3.14Å; E226-A230 PolarHBondContact O-N 3.35Å; K227-A230 PolarHBondContact O-N 3.11Å; A230-K234 VanDerWaalsContact O-CG 3.31Å; A230-K234 WeakPolarHBondContact O-CG 3.48Å; A230-K234 PolarHBondContact O-N 3.44Å; A230-K234 VanDerWaalsContact O-N 3.15Å
231E92.8Very high90.3Very high62 Ų6281.6 Ų81.629%0.2939%0.394SS..Hα-helixtrans-64.2-42.9173.1-72.2178.2-162.700111.9K189 K227 Y228 V229 E233 K234 E235K189-E231 WeakPolarHBondContact CE-OE2 3.44Å; K189-E231 IonicContact NZ-OE2 3.36Å; K189-E231 PolarHBondContact NZ-OE2 3.11Å; K227-E231 WeakPolarHBondContact CE-OE1 3.48Å; K227-E231 WeakPolarHBondContact O-CG 3.14Å; K227-E231 PolarHBondContact O-N 3.38Å; Y228-E231 PolarHBondContact O-N 2.86Å; V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 PolarHBondContact O-N 2.94Å; E231-E233 PolarHBondContact O-N 3.16Å; E231-K234 PolarHBondContact O-N 3.28Å; E231-E235 WeakPolarHBondContact O-CB 3.27Å; E231-E235 WeakPolarHBondContact O-CG 3.43Å; E231-E235 PolarHBondContact O-N 2.89Å
232I91.4Very high89.9Confident0 Ų082.4 Ų82.40%039%0.392CS..Hα-helixtrans-62.9-42.1178.6-70.1164000111.5K189 I192 K193 L196 Y228 V229 E235 K236K189-I232 HydrophobicContact CB-CD1 4.28Å; K189-I232 HydrophobicContact CB-CG1 4.41Å; K189-I232 HydrophobicContact CG-CD1 4.24Å; K189-I232 HydrophobicContact CG-CG1 4.16Å; I192-I232 HydrophobicContact CB-CD1 3.76Å; I192-I232 HydrophobicContact CG2-CD1 3.52Å; K193-I232 HydrophobicContact CD-CG2 4.42Å; K193-I232 HydrophobicContact CG-CD1 4.01Å; K193-I232 HydrophobicContact CG-CG1 4.22Å; K193-I232 HydrophobicContact CG-CG2 3.78Å; L196-I232 HydrophobicContact CD1-CG2 4.43Å; Y228-I232 WeakPolarHBondContact O-CD1 3.38Å; Y228-I232 WeakPolarHBondContact O-CG1 3.5Å; Y228-I232 PolarHBondContact O-N 2.55Å; V229-I232 WeakPolarHBondContact O-CB 3.43Å; V229-I232 PolarHBondContact O-N 3.16Å; V229-I232 VanDerWaalsContact O-N 3.16Å; I232-E235 PolarHBondContact O-N 2.67Å; I232-K236 WeakPolarHBondContact O-CG 3.5Å; I232-K236 PolarHBondContact O-N 3.15Å
233E88.7Confident89.5Confident110 Ų11085.8 Ų85.851%0.51440%0.399SS..Hα-helixtrans-64.9-44.4177.9-72.4178.6170.500111.4V229 E231 E235 K236 E237V229-E233 PolarHBondContact O-N 3Å; E231-E233 PolarHBondContact O-N 3.16Å; E233-E235 PolarHBondContact O-N 2.93Å; E233-K236 PolarHBondContact O-N 3.33Å; E233-E237 PolarHBondContact O-N 3.42Å
234K91.3Very high88.8Confident138 Ų13884.5 Ų84.560%0.639%0.393SS*.Hα-helixtrans-60.2-46.1174.4-71.9174.1-176.4179.20112.3A230 E231 K236 E237 E238A230-K234 VanDerWaalsContact O-CG 3.31Å; A230-K234 WeakPolarHBondContact O-CG 3.48Å; A230-K234 PolarHBondContact O-N 3.44Å; A230-K234 VanDerWaalsContact O-N 3.15Å; E231-K234 PolarHBondContact O-N 3.28Å; K234-K236 VanDerWaalsContact C-N 3.29Å; K234-K236 PolarHBondContact O-N 3.46Å; K234-E237 PolarHBondContact O-N 3.05Å; K234-E238 WeakPolarHBondContact O-CG 3.42Å; K234-E238 PolarHBondContact O-N 3.16Å
235E90.1Very high87.9Confident55 Ų5589.6 Ų89.626%0.25741%0.414SS..Hα-helixtrans-58.5-40.4176-76.4171.9-161.400111.7K189 K193 E231 I232 E233 N239K189-E235 IonicContact NZ-OE1 3.57Å; K189-E235 PolarHBondContact NZ-OE1 3.12Å; K193-E235 IonicContact NZ-OE2 2.63Å; K193-E235 PolarHBondContact NZ-OE2 3.48Å; E231-E235 WeakPolarHBondContact O-CB 3.27Å; E231-E235 WeakPolarHBondContact O-CG 3.43Å; E231-E235 PolarHBondContact O-N 2.89Å; I232-E235 PolarHBondContact O-N 2.67Å; E233-E235 PolarHBondContact O-N 2.93Å; E235-N239 WeakPolarHBondContact O-CB 3.43Å; E235-N239 PolarHBondContact O-N 3.3Å; E235-N239 PolarHBondContact O-ND2 3.23Å
236K86.5Confident86.9Confident91 Ų9198.3 Ų98.340%0.39645%0.452SS..Hα-helixtrans-63.9-49.2177.8-78.4-177.4176.1-171.90111.3I232 E233 K234 E238 N239 E240I232-K236 WeakPolarHBondContact O-CG 3.5Å; I232-K236 PolarHBondContact O-N 3.15Å; E233-K236 PolarHBondContact O-N 3.33Å; K234-K236 VanDerWaalsContact C-N 3.29Å; K234-K236 PolarHBondContact O-N 3.46Å; K236-E238 VanDerWaalsContact C-N 3.34Å; K236-E238 PolarHBondContact O-N 2.69Å; K236-N239 PolarHBondContact O-N 3.17Å; K236-E240 WeakPolarHBondContact O-CG 3.43Å; K236-E240 PolarHBondContact O-N 3.14Å
237E88.3Confident85.7Confident107 Ų10798.2 Ų98.250%0.547%0.466SS..Hα-helixtrans-60.4-42.1178.2-72-170.7-169.400112.7E233 K234 N239 E240 K241E233-E237 PolarHBondContact O-N 3.42Å; K234-E237 PolarHBondContact O-N 3.05Å; E237-N239 VanDerWaalsContact C-N 3.34Å; E237-E240 PolarHBondContact O-N 3.34Å; E237-K241 WeakPolarHBondContact O-CB 3.48Å; E237-K241 VanDerWaalsContact O-CG 3.28Å; E237-K241 WeakPolarHBondContact O-CG 3.32Å; E237-K241 PolarHBondContact O-N 2.92Å; E237-K241 IonicContact OE2-NZ 2.76Å; E237-K241 PolarHBondContact OE2-NZ 3.28Å
238E90.3Very high83.9Confident108 Ų10899.3 Ų99.351%0.50549%0.491SS..Hα-helixtrans-64.7-40.1177.7-74.7-174.8-172.700112.1K234 K236 K241 K242K234-E238 WeakPolarHBondContact O-CG 3.42Å; K234-E238 PolarHBondContact O-N 3.16Å; K236-E238 VanDerWaalsContact C-N 3.34Å; K236-E238 PolarHBondContact O-N 2.69Å; E238-K241 PolarHBondContact O-N 3.21Å; E238-K242 WeakPolarHBondContact O-CB 3.37Å; E238-K242 VanDerWaalsContact O-CG 3.25Å; E238-K242 WeakPolarHBondContact O-CG 3.48Å; E238-K242 PolarHBondContact O-N 3.08Å
239N87.4Confident83.4Confident87 Ų87102.6 Ų102.647%0.46551%0.509SS..Hα-helixtrans-67.9-36.6177.8-74.3-31.4000112.1E235 K236 E237 K243E235-N239 WeakPolarHBondContact O-CB 3.43Å; E235-N239 PolarHBondContact O-N 3.3Å; E235-N239 PolarHBondContact O-ND2 3.23Å; K236-N239 PolarHBondContact O-N 3.17Å; E237-N239 VanDerWaalsContact C-N 3.34Å; N239-K243 WeakPolarHBondContact O-CB 3.14Å; N239-K243 WeakPolarHBondContact O-CG 3.32Å; N239-K243 PolarHBondContact O-N 3.02Å
240E85.6Confident82.9Confident118 Ų118107.4 Ų107.455%0.55153%0.532SS*.Hα-helixtrans-66.7-47.1173.1-73.7179.1-179.600111.8K236 E237 K242 K243 Q244K236-E240 WeakPolarHBondContact O-CG 3.43Å; K236-E240 PolarHBondContact O-N 3.14Å; E237-E240 PolarHBondContact O-N 3.34Å; E240-K242 VanDerWaalsContact C-N 3.31Å; E240-K242 PolarHBondContact O-N 3.13Å; E240-K243 PolarHBondContact O-N 3.26Å; E240-K243 VanDerWaalsContact O-N 3.15Å; E240-Q244 WeakPolarHBondContact O-CG 3.25Å; E240-Q244 PolarHBondContact O-N 2.82Å
241K86.6Confident82.4Confident113 Ų113111.1 Ų111.149%0.49154%0.543SS..Hα-helixtrans-59.4-40.4175.2-72.8167.2-176.1158.50111.7E237 E238 K245E237-K241 WeakPolarHBondContact O-CB 3.48Å; E237-K241 VanDerWaalsContact O-CG 3.28Å; E237-K241 WeakPolarHBondContact O-CG 3.32Å; E237-K241 PolarHBondContact O-N 2.92Å; E237-K241 IonicContact OE2-NZ 2.76Å; E237-K241 PolarHBondContact OE2-NZ 3.28Å; E238-K241 PolarHBondContact O-N 3.21Å; K241-K245 WeakPolarHBondContact O-CB 3.43Å; K241-K245 WeakPolarHBondContact O-CG 3.38Å; K241-K245 PolarHBondContact O-N 2.82Å
242K82.2Confident81.8Confident117 Ų117114 Ų11451%0.50956%0.558SS.*Hα-helixtrans-67-38.3175.4-76.6171.3-176166.10112.4E238 E240 K246E238-K242 WeakPolarHBondContact O-CB 3.37Å; E238-K242 VanDerWaalsContact O-CG 3.25Å; E238-K242 WeakPolarHBondContact O-CG 3.48Å; E238-K242 PolarHBondContact O-N 3.08Å; E240-K242 VanDerWaalsContact C-N 3.31Å; E240-K242 PolarHBondContact O-N 3.13Å; K242-K246 WeakPolarHBondContact O-CG 3.34Å; K242-K246 PolarHBondContact O-N 2.84Å; K242-K246 VanDerWaalsContact O-N 3.15Å
243K80Confident81.2Confident157 Ų157121.1 Ų121.168%0.68359%0.593SS**Hα-helixtrans-65.8-43.5174.9-80.3179.7178.7-179.30111.8N239 E240 K246 A247N239-K243 WeakPolarHBondContact O-CB 3.14Å; N239-K243 WeakPolarHBondContact O-CG 3.32Å; N239-K243 PolarHBondContact O-N 3.02Å; E240-K243 PolarHBondContact O-N 3.26Å; E240-K243 VanDerWaalsContact O-N 3.15Å; K243-K246 PolarHBondContact O-N 2.92Å; K243-A247 PolarHBondContact O-N 3.43Å
244Q77.4Confident80.7Confident132 Ų132121.9 Ų121.962%0.61760%0.598SS**Hα-helixtrans-62.7-42.9176.7-70.7174.32.500111.9E240 K246 A247 S248E240-Q244 WeakPolarHBondContact O-CG 3.25Å; E240-Q244 PolarHBondContact O-N 2.82Å; Q244-K246 VanDerWaalsContact C-N 3.3Å; Q244-K246 PolarHBondContact O-N 2.95Å; Q244-A247 PolarHBondContact O-N 3.35Å; Q244-S248 PolarHBondContact O-N 3.13Å; Q244-S248 PolarHBondContact O-OG 3.31Å
245K74.4Confident80Confident170 Ų170120.7 Ų120.774%0.73960%0.598SS**Hα-helixtrans-66-24.6175.3-76.7-176.6178-175.60114.8K241K241-K245 WeakPolarHBondContact O-CB 3.43Å; K241-K245 WeakPolarHBondContact O-CG 3.38Å; K241-K245 PolarHBondContact O-N 2.82Å
246K70.4Confident79.2Confident188 Ų188125.8 Ų125.882%0.81762%0.624SS**Hα-helixtrans-85.2-15175.3-77.1-176176.7-173.10113.1K242 K243 Q244K242-K246 WeakPolarHBondContact O-CG 3.34Å; K242-K246 PolarHBondContact O-N 2.84Å; K242-K246 VanDerWaalsContact O-N 3.15Å; K243-K246 PolarHBondContact O-N 2.92Å; Q244-K246 VanDerWaalsContact C-N 3.3Å; Q244-K246 PolarHBondContact O-N 2.95Å
247A66Low78.6Confident87 Ų87128.7 Ų128.772%0.71964%0.643SS**Hα-helixtrans-98.5-8.2179.800000113.2K243 Q244K243-A247 PolarHBondContact O-N 3.43Å; Q244-A247 PolarHBondContact O-N 3.35Å
248S54.8Low77.7Confident160 Ų160130.6 Ų130.6100%1.11966%0.656SS**  trans-98.60167.2-57.10000109.9Q244Q244-S248 PolarHBondContact O-N 3.13Å; Q244-S248 PolarHBondContact O-OG 3.31Å

Retrieved 248 of 248 residues in 1120.5 ms (Link to these results)

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