A0A087X5R1_POEFO Loading...

Acyltransferase

AlphaFold DB , UniProt , Accession A0A087X5R1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 313 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
1M57.6Low74.4Confident175 Ų175115.4 Ų115.486%0.86259%0.592SS**  01260-130.6160.191.800108.7S271M1-S271 WeakPolarHBondContact CE-O 3.42Å
2K64.4Low75.7Confident195 Ų195116.2 Ų116.285%0.84860%0.597SS**  trans-72.3129.3175.4-73-176179.2-179.90109.1Q4 S271K2-Q4 PolarHBondContact O-N 2.74Å; K2-S271 PolarHBondContact O-OG 3.42Å
3I71.7Confident77Confident106 Ų106119.3 Ų119.354%0.54460%0.597SS.*  trans-77.4118.2178.8-58.3175000108.7F5 Q269 S271I3-F5 HydrophobicContact CB-CE2 4.21Å; I3-F5 HydrophobicContact CB-CZ 4.44Å; I3-F5 HydrophobicContact CG2-CD1 4.34Å; I3-F5 HydrophobicContact CG2-CD2 4.09Å; I3-F5 HydrophobicContact CG2-CE1 3.99Å; I3-F5 HydrophobicContact CG2-CE2 3.72Å; I3-F5 HydrophobicContact CG2-CG 4.39Å; I3-F5 HydrophobicContact CG2-CZ 3.67Å; I3-Q269 HydrophobicContact CG2-CB 3.87Å; I3-Q269 HydrophobicContact CG2-CG 4.12Å; I3-S271 WeakPolarHBondContact CA-OG 3.2Å
4Q75Confident78.1Confident131 Ų131118.5 Ų118.561%0.61258%0.583SS**  trans-97.2104.1173.5-68.6-175.1-0.600108.8K2 Q269 Y270 S271K2-Q4 PolarHBondContact O-N 2.74Å; Q4-Q269 CarbonylContact O-C 3.47Å; Q4-Q269 WeakPolarHBondContact O-CA 3.49Å; Q4-Q269 WeakPolarHBondContact O-CB 3.41Å; Q4-Y270 PolarHBondContact O-N 2.87Å; Q4-S271 PolarHBondContact N-OG 3.4Å
5F77.3Confident79Confident147 Ų147119.9 Ų119.965%0.64558%0.579SS**BIsolated β-bridgetrans-72.1149.4177.8-69.8-80.8000111.6I3 Q269I3-F5 HydrophobicContact CB-CE2 4.21Å; I3-F5 HydrophobicContact CB-CZ 4.44Å; I3-F5 HydrophobicContact CG2-CD1 4.34Å; I3-F5 HydrophobicContact CG2-CD2 4.09Å; I3-F5 HydrophobicContact CG2-CE1 3.99Å; I3-F5 HydrophobicContact CG2-CE2 3.72Å; I3-F5 HydrophobicContact CG2-CG 4.39Å; I3-F5 HydrophobicContact CG2-CZ 3.67Å; F5-Q269 HydrophobicContact CD1-CB 4.09Å
6A71.4Confident80Confident25 Ų25116.9 Ų116.921%0.20757%0.567CS.*PPolyproline II helixtrans-66.6138.2170.200000109.5F268 Y270A6-F268 WeakPolarHBondContact CB-O 3.39Å; A6-F268 PolarHBondContact N-O 3.39Å; A6-Y270 HydrophobicContact CB-CE1 4.09Å; A6-Y270 HydrophobicContact CB-CE2 4.12Å
7P76.4Confident81Confident77 Ų77110.7 Ų110.750%0.554%0.537SS..PPolyproline II helixtrans-60.9143.4176.223.8-30.9000110.1N9 V10P7-N9 PolarHBondContact O-N 3.23Å; P7-V10 HydrophobicContact CG-CG2 4.18Å; P7-V10 WeakPolarHBondContact O-CG2 3.16Å
8L71.4Confident81.7Confident165 Ų165105.7 Ų105.786%0.86451%0.514SS*.SBendtrans-63.2-32.2-178.4-69168000112.3V10 R15L8-V10 PolarHBondContact O-N 3.04Å; L8-R15 PolarHBondContact O-NH2 2.57Å
9N79.1Confident82.4Confident147 Ų147102.9 Ų102.979%0.78651%0.51SS*.  trans-91.263.2179.5-164.54.8000112.5P7P7-N9 PolarHBondContact O-N 3.23Å
10V83.4Confident83.1Confident23 Ų2397.9 Ų97.914%0.13949%0.486CS..  trans-87.2126.8169.1-175.90000110.4P7 L8 R14 R15P7-V10 HydrophobicContact CG-CG2 4.18Å; P7-V10 WeakPolarHBondContact O-CG2 3.16Å; L8-V10 PolarHBondContact O-N 3.04Å; V10-R14 HydrophobicContact CG1-CB 3.47Å; V10-R14 VanDerWaalsContact CG1-CB 3.47Å; V10-R14 HydrophobicContact CG1-CG 4.45Å; V10-R15 HydrophobicContact CB-CG 4.31Å; V10-R15 HydrophobicContact CG1-CG 4.13Å; V10-R15 PolarHBondContact O-NE 3.13Å
11P91.1Very high83.7Confident78 Ų7893.2 Ų93.251%0.50646%0.462SS..  trans-55.4144.8175.4-25.533.3000113R13 R14 R15P11-R13 PolarHBondContact O-N 2.89Å; P11-R13 VanDerWaalsContact O-N 3.13Å; P11-R14 PolarHBondContact O-N 3.28Å; P11-R15 PolarHBondContact O-N 3.22Å
12L90.1Very high85.5Confident125 Ų12588.4 Ų88.465%0.65444%0.44SS*.Hα-helixtrans-51.7-40.6-179.8-179.862.1000112.4R14 R15 L16L12-R14 VanDerWaalsContact C-N 3.31Å; L12-R14 PolarHBondContact O-N 2.79Å; L12-R15 WeakPolarHBondContact O-CA 3.34Å; L12-R15 WeakPolarHBondContact O-CB 3.31Å; L12-R15 PolarHBondContact O-N 3.13Å; L12-L16 HydrophobicContact CD1-CG 4.25Å; L12-L16 HydrophobicContact CG-CD1 4.15Å; L12-L16 HydrophobicContact CG-CG 4.29Å; L12-L16 WeakPolarHBondContact O-CG 3.12Å; L12-L16 PolarHBondContact O-N 2.94Å
13R92.6Very high87Confident157 Ų15781.9 Ų81.959%0.59241%0.412SS*.Hα-helixtrans-53.7-45.9176-174.6178.5-178.6-160.9-0.5112.2P11 R15 L16 Q17 D86P11-R13 PolarHBondContact O-N 2.89Å; P11-R13 VanDerWaalsContact O-N 3.13Å; R13-R15 VanDerWaalsContact C-N 3.34Å; R13-L16 PolarHBondContact O-N 2.76Å; R13-Q17 VanDerWaalsContact O-CG 3.24Å; R13-Q17 WeakPolarHBondContact O-CG 3.42Å; R13-Q17 PolarHBondContact O-N 2.87Å; R13-D86 IonicContact CZ-OD2 2.57Å; R13-D86 IonicContact NE-OD2 2.85Å; R13-D86 IonicContact NH2-OD2 3.78Å; R13-D86 PolarHBondContact NH2-OD2 2.89Å
14R91.7Very high88.1Confident108 Ų10877.1 Ų77.141%0.40839%0.387SS..Hα-helixtrans-70.4-31.4179-70.7-170.282.7-178.26111.8V10 P11 L12 T18 R278V10-R14 HydrophobicContact CG1-CB 3.47Å; V10-R14 VanDerWaalsContact CG1-CB 3.47Å; V10-R14 HydrophobicContact CG1-CG 4.45Å; P11-R14 PolarHBondContact O-N 3.28Å; L12-R14 VanDerWaalsContact C-N 3.31Å; L12-R14 PolarHBondContact O-N 2.79Å; R14-T18 PolarHBondContact O-N 2.84Å; R14-T18 PolarHBondContact O-OG1 2.89Å; R14-T18 VanDerWaalsContact O-OG1 3.1Å; R14-R278 PolarHBondContact O-NH2 3.2Å
15R92.3Very high89Confident139 Ų13971.2 Ų71.253%0.52536%0.361SS..Hα-helixtrans-66-46.3173.7-60.4-178.2-176-144.4-2.4111.2L8 V10 P11 L12 R13 Q17 T18 A19L8-R15 PolarHBondContact O-NH2 2.57Å; V10-R15 HydrophobicContact CB-CG 4.31Å; V10-R15 HydrophobicContact CG1-CG 4.13Å; V10-R15 PolarHBondContact O-NE 3.13Å; P11-R15 PolarHBondContact O-N 3.22Å; L12-R15 WeakPolarHBondContact O-CA 3.34Å; L12-R15 WeakPolarHBondContact O-CB 3.31Å; L12-R15 PolarHBondContact O-N 3.13Å; R13-R15 VanDerWaalsContact C-N 3.34Å; R15-Q17 PolarHBondContact O-N 3.01Å; R15-T18 PolarHBondContact O-N 3.19Å; R15-T18 VanDerWaalsContact O-N 3.14Å; R15-A19 WeakPolarHBondContact O-CB 3.39Å; R15-A19 PolarHBondContact O-N 3.21Å
16L95.2Very high89.8Confident72 Ų7268.4 Ų68.438%0.37735%0.348SS..Hα-helixtrans-61.2-41.6176.2-67.6174.5000112.3L12 R13 A19 A20L12-L16 HydrophobicContact CD1-CG 4.25Å; L12-L16 HydrophobicContact CG-CD1 4.15Å; L12-L16 HydrophobicContact CG-CG 4.29Å; L12-L16 WeakPolarHBondContact O-CG 3.12Å; L12-L16 PolarHBondContact O-N 2.94Å; R13-L16 PolarHBondContact O-N 2.76Å; L16-A19 PolarHBondContact O-N 3.18Å; L16-A20 WeakPolarHBondContact O-CB 3.19Å; L16-A20 PolarHBondContact O-N 3.31Å
17Q96.1Very high90.8Very high12 Ų1267.6 Ų67.66%0.05634%0.341CS..Hα-helixtrans-58.8-46.1171.7-70168.3-11.100112.2R13 R15 A20 V21 H83 D86 Y87R13-Q17 VanDerWaalsContact O-CG 3.24Å; R13-Q17 WeakPolarHBondContact O-CG 3.42Å; R13-Q17 PolarHBondContact O-N 2.87Å; R15-Q17 PolarHBondContact O-N 3.01Å; Q17-A20 PolarHBondContact O-N 2.99Å; Q17-V21 PolarHBondContact O-N 3.13Å; Q17-V21 VanDerWaalsContact O-N 3.12Å; Q17-H83 HydrophobicContact CG-CB 4.47Å; Q17-H83 WeakPolarHBondContact CG-O 3.31Å; Q17-D86 HydrophobicContact CG-CB 4.25Å; Q17-D86 PolarHBondContact NE2-O 3.06Å; Q17-Y87 HydrophobicContact CB-CD2 3.94Å
18T94Very high91.3Very high20 Ų2067 Ų6712%0.12333%0.331CS..Hα-helixtrans-65-40.6176.7-60.30000111.5R14 R15 V21 L22 R265 I275 R278R14-T18 PolarHBondContact O-N 2.84Å; R14-T18 PolarHBondContact O-OG1 2.89Å; R14-T18 VanDerWaalsContact O-OG1 3.1Å; R15-T18 PolarHBondContact O-N 3.19Å; R15-T18 VanDerWaalsContact O-N 3.14Å; T18-V21 PolarHBondContact O-N 3.48Å; T18-L22 VanDerWaalsContact O-CB 3.29Å; T18-L22 WeakPolarHBondContact O-CB 3.4Å; T18-L22 PolarHBondContact O-N 3.08Å; T18-R265 PolarHBondContact OG1-NH2 2.94Å; T18-I275 HydrophobicContact CG2-CD1 3.86Å; T18-R278 PolarHBondContact OG1-NH2 3.35Å
19A94.9Very high92.2Very high53 Ų5361.9 Ų61.944%0.43830%0.304SS..Hα-helixtrans-63.7-40.2177.400000111.8R15 L16 L22 Q23R15-A19 WeakPolarHBondContact O-CB 3.39Å; R15-A19 PolarHBondContact O-N 3.21Å; L16-A19 PolarHBondContact O-N 3.18Å; A19-L22 PolarHBondContact O-N 3.49Å; A19-Q23 WeakPolarHBondContact O-CB 3.36Å; A19-Q23 PolarHBondContact O-N 3.14Å
20A96.8Very high92.8Very high3 Ų356.1 Ų56.13%0.02528%0.277CS..Hα-helixtrans-61.6-46.517500000112.2L16 Q17 Q23 W24 V80 H83 F84L16-A20 WeakPolarHBondContact O-CB 3.19Å; L16-A20 PolarHBondContact O-N 3.31Å; Q17-A20 PolarHBondContact O-N 2.99Å; A20-Q23 PolarHBondContact O-N 2.74Å; A20-W24 PolarHBondContact O-N 3.36Å; A20-V80 HydrophobicContact CB-CG2 3.49Å; A20-V80 VanDerWaalsContact CB-CG2 3.49Å; A20-V80 WeakPolarHBondContact CB-O 3.4Å; A20-H83 HydrophobicContact CB-CB 3.64Å; A20-F84 HydrophobicContact CB-CB 4.47Å
21V95.9Very high93.4Very high0 Ų056.5 Ų56.50%028%0.278CS..Hα-helixtrans-67.4-37.5176.2173.30000111.7Q17 T18 W24 V25 F84 Y87 F88 I275 P276Q17-V21 PolarHBondContact O-N 3.13Å; Q17-V21 VanDerWaalsContact O-N 3.12Å; T18-V21 PolarHBondContact O-N 3.48Å; V21-W24 PolarHBondContact O-N 2.95Å; V21-V25 HydrophobicContact CG1-CG2 4.23Å; V21-V25 WeakPolarHBondContact O-CB 3.36Å; V21-V25 WeakPolarHBondContact O-CG2 3.15Å; V21-V25 PolarHBondContact O-N 2.86Å; V21-F84 HydrophobicContact CG2-CD2 3.88Å; V21-F84 HydrophobicContact CG2-CE2 4.35Å; V21-Y87 HydrophobicContact CB-CD2 4.36Å; V21-Y87 HydrophobicContact CB-CE2 4.38Å; V21-Y87 HydrophobicContact CB-CG 4.41Å; V21-Y87 HydrophobicContact CG1-CE1 4.3Å; V21-Y87 HydrophobicContact CG2-CD1 3.53Å; V21-Y87 HydrophobicContact CG2-CD2 3.72Å; V21-Y87 HydrophobicContact CG2-CE1 3.99Å; V21-Y87 HydrophobicContact CG2-CE2 4.16Å; V21-Y87 HydrophobicContact CG2-CG 3.38Å; V21-F88 HydrophobicContact CG1-CE2 4.44Å; V21-F88 HydrophobicContact CG1-CZ 4.25Å; V21-F88 HydrophobicContact CG2-CD2 4.41Å; V21-F88 HydrophobicContact CG2-CE2 3.72Å; V21-F88 HydrophobicContact CG2-CZ 4.25Å; V21-I275 HydrophobicContact CG1-CG2 4.01Å; V21-P276 HydrophobicContact CG1-CG 3.72Å
22L94.4Very high93.5Very high74 Ų7453 Ų5339%0.38726%0.256SS..Hα-helixtrans-62-45175.1179.862.8000111.3T18 A19 W24 V25 F26 V267 I275T18-L22 VanDerWaalsContact O-CB 3.29Å; T18-L22 WeakPolarHBondContact O-CB 3.4Å; T18-L22 PolarHBondContact O-N 3.08Å; A19-L22 PolarHBondContact O-N 3.49Å; L22-W24 VanDerWaalsContact C-N 3.3Å; L22-W24 PolarHBondContact O-N 2.89Å; L22-V25 PolarHBondContact O-N 3.21Å; L22-F26 VanDerWaalsContact O-CB 3.27Å; L22-F26 WeakPolarHBondContact O-CB 3.4Å; L22-F26 PolarHBondContact O-N 3.41Å; L22-V267 HydrophobicContact CD1-CG2 4.23Å; L22-V267 HydrophobicContact CD2-CG2 4.16Å; L22-I275 HydrophobicContact CB-CD1 4.32Å; L22-I275 HydrophobicContact CD1-CD1 4.18Å; L22-I275 HydrophobicContact CD1-CG1 4.38Å
23Q95.5Very high93.8Very high58 Ų5851.9 Ų51.927%0.27125%0.247SC..Hα-helixtrans-60.7-40.7175179.5-83.6-37.600111.5A19 A20 S27 Y155A19-Q23 WeakPolarHBondContact O-CB 3.36Å; A19-Q23 PolarHBondContact O-N 3.14Å; A20-Q23 PolarHBondContact O-N 2.74Å; Q23-S27 PolarHBondContact NE2-OG 3.16Å; Q23-S27 WeakPolarHBondContact O-CB 3.46Å; Q23-S27 PolarHBondContact O-N 3.28Å; Q23-S27 PolarHBondContact O-OG 3.38Å; Q23-Y155 PolarHBondContact NE2-OH 3.37Å
24W95.8Very high94Very high5 Ų550.5 Ų50.52%0.01925%0.245CC..Hα-helixtrans-66-47.4176.1176.877.1000112.7A20 V21 L22 F26 S27 F28 F84 L114 A116 F119 P276A20-W24 PolarHBondContact O-N 3.36Å; V21-W24 PolarHBondContact O-N 2.95Å; L22-W24 VanDerWaalsContact C-N 3.3Å; L22-W24 PolarHBondContact O-N 2.89Å; W24-F26 VanDerWaalsContact C-N 3.33Å; W24-F26 PolarHBondContact O-N 2.85Å; W24-S27 WeakPolarHBondContact O-CB 3.47Å; W24-S27 PolarHBondContact O-N 2.77Å; W24-S27 VanDerWaalsContact O-N 3.15Å; W24-F28 PolarHBondContact O-N 2.83Å; W24-F84 HydrophobicContact CB-CD2 4.06Å; W24-F84 HydrophobicContact CB-CE2 3.93Å; W24-F84 HydrophobicContact CD2-CD2 4.42Å; W24-F84 AromaticContact CD2-CE2 3.44Å; W24-F84 HydrophobicContact CD2-CE2 3.44Å; W24-F84 VanDerWaalsContact CD2-CE2 3.44Å; W24-F84 AromaticContact CD2-CZ 3.97Å; W24-F84 HydrophobicContact CD2-CZ 3.97Å; W24-F84 AromaticContact CE2-CE2 3.96Å; W24-F84 AromaticContact CE2-CZ 3.99Å; W24-F84 AromaticContact CE3-CE2 3.68Å; W24-F84 HydrophobicContact CE3-CE2 3.68Å; W24-F84 HydrophobicContact CE3-CZ 4.31Å; W24-F84 HydrophobicContact CG-CD2 4.12Å; W24-F84 AromaticContact CG-CE2 3.54Å; W24-F84 HydrophobicContact CG-CE2 3.54Å; W24-F84 HydrophobicContact CG-CZ 4.27Å; W24-F84 HydrophobicContact CZ2-CZ 4.34Å; W24-F84 HydrophobicContact CZ3-CE2 4.33Å; W24-L114 HydrophobicContact CH2-CB 3.41Å; W24-L114 VanDerWaalsContact CH2-CB 3.41Å; W24-L114 HydrophobicContact CH2-CD1 4.08Å; W24-L114 HydrophobicContact CH2-CG 4.41Å; W24-L114 HydrophobicContact CZ2-CB 4.17Å; W24-L114 WeakPolarHBondContact CZ2-O 3.4Å; W24-L114 HydrophobicContact CZ3-CB 4.08Å; W24-L114 HydrophobicContact CZ3-CD1 3.92Å; W24-A116 HydrophobicContact CH2-CB 3.53Å; W24-A116 HydrophobicContact CZ2-CB 4.06Å; W24-A116 HydrophobicContact CZ3-CB 4.15Å; W24-F119 AromaticContact CD1-CD1 3.54Å; W24-F119 AromaticContact CD1-CE1 3.31Å; W24-F119 AromaticContact CD1-CZ 3.71Å; W24-F119 HydrophobicContact CG-CE1 4.44Å; W24-F119 HydrophobicContact CZ2-CB 4.38Å; W24-F119 AromaticContact NE1-CD1 3.12Å; W24-F119 AromaticContact NE1-CD2 3.77Å; W24-F119 AromaticContact NE1-CE1 3.42Å; W24-F119 AromaticContact NE1-CG 3.32Å; W24-F119 VanDerWaalsContact NE1-CG 3.32Å; W24-F119 AromaticContact NE1-CZ 3.86Å; W24-P276 HydrophobicContact CZ3-CG 4.47Å
25V93.2Very high94.2Very high8 Ų846.1 Ų46.15%0.04823%0.231CC..Hα-helixtrans-59.9-44.1175.6170.20000110.7V21 L22 S27 F28 L29 L114 L274 P276V21-V25 HydrophobicContact CG1-CG2 4.23Å; V21-V25 WeakPolarHBondContact O-CB 3.36Å; V21-V25 WeakPolarHBondContact O-CG2 3.15Å; V21-V25 PolarHBondContact O-N 2.86Å; L22-V25 PolarHBondContact O-N 3.21Å; V25-S27 VanDerWaalsContact C-N 3.32Å; V25-S27 PolarHBondContact O-N 3.2Å; V25-F28 PolarHBondContact O-N 2.82Å; V25-L29 HydrophobicContact CG1-CD1 3.68Å; V25-L29 HydrophobicContact CG1-CG 4.34Å; V25-L29 WeakPolarHBondContact O-CB 3.31Å; V25-L29 WeakPolarHBondContact O-CG 3.47Å; V25-L29 PolarHBondContact O-N 3Å; V25-L114 HydrophobicContact CG2-CD1 4.49Å; V25-L274 HydrophobicContact CG1-CB 4.26Å; V25-P276 HydrophobicContact CG2-CG 4.48Å
26F93.4Very high94.4Very high87 Ų8743.5 Ų43.538%0.38223%0.227SC..Hα-helixtrans-59.5-44.4174.9174.1-94.6000111.5L22 W24 F28 L29 A30 L31 F34L22-F26 VanDerWaalsContact O-CB 3.27Å; L22-F26 WeakPolarHBondContact O-CB 3.4Å; L22-F26 PolarHBondContact O-N 3.41Å; W24-F26 VanDerWaalsContact C-N 3.33Å; W24-F26 PolarHBondContact O-N 2.85Å; F26-F28 VanDerWaalsContact C-N 3.25Å; F26-F28 PolarHBondContact O-N 3.26Å; F26-L29 PolarHBondContact O-N 3.37Å; F26-A30 HydrophobicContact CD2-CB 3.85Å; F26-A30 HydrophobicContact CE2-CB 3.81Å; F26-A30 HydrophobicContact CZ-CB 4.5Å; F26-A30 PolarHBondContact O-N 2.79Å; F26-L31 HydrophobicContact CD1-CB 4.36Å; F26-L31 HydrophobicContact CE1-CB 4.1Å; F26-L31 HydrophobicContact CE1-CD1 4.02Å; F26-L31 PolarHBondContact O-N 3.08Å; F26-F34 AromaticContact CE2-CD2 3.84Å; F26-F34 HydrophobicContact CE2-CD2 3.84Å; F26-F34 AromaticContact CE2-CE2 3.64Å; F26-F34 HydrophobicContact CE2-CE2 3.64Å; F26-F34 HydrophobicContact CE2-CZ 4.49Å; F26-F34 AromaticContact CZ-CD2 3.63Å; F26-F34 HydrophobicContact CZ-CD2 3.63Å; F26-F34 AromaticContact CZ-CE2 3.89Å; F26-F34 HydrophobicContact CZ-CE2 3.89Å; F26-F34 HydrophobicContact CZ-CG 4.32Å
27S92.9Very high94.5Very high9 Ų942.3 Ų42.36%0.06323%0.228CC..Hα-helixtrans-59.2-38.6176.8-60.70000112.2Q23 W24 V25 F152 Y155Q23-S27 PolarHBondContact NE2-OG 3.16Å; Q23-S27 WeakPolarHBondContact O-CB 3.46Å; Q23-S27 PolarHBondContact O-N 3.28Å; Q23-S27 PolarHBondContact O-OG 3.38Å; W24-S27 WeakPolarHBondContact O-CB 3.47Å; W24-S27 PolarHBondContact O-N 2.77Å; W24-S27 VanDerWaalsContact O-N 3.15Å; V25-S27 VanDerWaalsContact C-N 3.32Å; V25-S27 PolarHBondContact O-N 3.2Å; S27-F152 VanDerWaalsContact O-CE2 3.29Å; S27-F152 WeakPolarHBondContact O-CE2 3.43Å; S27-Y155 PolarHBondContact OG-OH 2.87Å
28F88.1Confident94.6Very high64 Ų6444 Ų4428%0.28124%0.244SC..Hα-helixtrans-77-38.9-178.6-160.3-80.1000113W24 V25 F26 L114W24-F28 PolarHBondContact O-N 2.83Å; V25-F28 PolarHBondContact O-N 2.82Å; F26-F28 VanDerWaalsContact C-N 3.25Å; F26-F28 PolarHBondContact O-N 3.26Å; F28-L114 HydrophobicContact CD1-CD2 3.59Å; F28-L114 HydrophobicContact CE1-CD2 3.49Å; F28-L114 VanDerWaalsContact CE1-CD2 3.49Å; F28-L114 HydrophobicContact CG-CD2 4.33Å; F28-L114 HydrophobicContact CZ-CD2 4.15Å
29L89.3Confident94.7Very high57 Ų5744.8 Ų44.830%0.29825%0.246SC..Hα-helixtrans-99.3-30.2-169.7-62.9178.9000115V25 F26 Q33 L114 F262 L274V25-L29 HydrophobicContact CG1-CD1 3.68Å; V25-L29 HydrophobicContact CG1-CG 4.34Å; V25-L29 WeakPolarHBondContact O-CB 3.31Å; V25-L29 WeakPolarHBondContact O-CG 3.47Å; V25-L29 PolarHBondContact O-N 3Å; F26-L29 PolarHBondContact O-N 3.37Å; L29-Q33 PolarHBondContact O-NE2 2.73Å; L29-Q33 PolarHBondContact O-OE1 3.14Å; L29-L114 HydrophobicContact CD2-CD2 4.42Å; L29-F262 HydrophobicContact CD1-CZ 4.21Å; L29-F262 HydrophobicContact CD2-CZ 4.31Å; L29-L274 HydrophobicContact CD1-CD1 4.09Å
30A92.6Very high94.8Very high26 Ų2645.9 Ų45.922%0.21525%0.247CC..THydrogen-bonded Turntrans-128.9-29.9-166.100000114.3F26 A32 Q33 F34F26-A30 HydrophobicContact CD2-CB 3.85Å; F26-A30 HydrophobicContact CE2-CB 3.81Å; F26-A30 HydrophobicContact CZ-CB 4.5Å; F26-A30 PolarHBondContact O-N 2.79Å; A30-A32 VanDerWaalsContact C-N 3.27Å; A30-A32 PolarHBondContact O-N 2.89Å; A30-Q33 WeakPolarHBondContact O-CB 3.1Å; A30-Q33 PolarHBondContact O-N 2.73Å; A30-Q33 PolarHBondContact O-OE1 2.8Å; A30-F34 HydrophobicContact CB-CD2 4.14Å; A30-F34 HydrophobicContact CB-CE2 4.04Å; A30-F34 VanDerWaalsContact O-CD2 3.24Å; A30-F34 WeakPolarHBondContact O-CD2 3.29Å; A30-F34 PolarHBondContact O-N 3.47Å; A30-F34 VanDerWaalsContact O-N 3.12Å
31L95.5Very high94.9Very high32 Ų3251.2 Ų51.217%0.16827%0.274CS..Hα-helixtrans-58.1-38.1-172.8177.964.8000112.8F26 Q33 F34 C35 F152 Y155F26-L31 HydrophobicContact CD1-CB 4.36Å; F26-L31 HydrophobicContact CE1-CB 4.1Å; F26-L31 HydrophobicContact CE1-CD1 4.02Å; F26-L31 PolarHBondContact O-N 3.08Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 3.12Å; L31-F34 PolarHBondContact O-N 2.65Å; L31-C35 WeakPolarHBondContact O-CB 3.18Å; L31-C35 PolarHBondContact O-N 2.9Å; L31-C35 PolarHBondContact O-SG 3.09Å; L31-F152 HydrophobicContact CB-CD2 4.23Å; L31-F152 HydrophobicContact CB-CE2 4.25Å; L31-F152 HydrophobicContact CD2-CD2 3.92Å; L31-F152 HydrophobicContact CD2-CE2 4.08Å; L31-F152 HydrophobicContact CG-CD2 3.89Å; L31-F152 HydrophobicContact CG-CE2 4.28Å; L31-Y155 HydrophobicContact CD2-CD1 3.6Å; L31-Y155 HydrophobicContact CD2-CE1 3.71Å; L31-Y155 HydrophobicContact CD2-CG 4.14Å
32A94.3Very high94.9Very high5 Ų553.4 Ų53.44%0.04129%0.286CS..Hα-helixtrans-59.3-41.617700000112.6A30 C35 L36 W146 V149 F152A30-A32 VanDerWaalsContact C-N 3.27Å; A30-A32 PolarHBondContact O-N 2.89Å; A32-C35 PolarHBondContact O-N 3.4Å; A32-L36 WeakPolarHBondContact O-CB 3.46Å; A32-L36 PolarHBondContact O-N 3.18Å; A32-W146 HydrophobicContact CB-CE3 3.83Å; A32-W146 HydrophobicContact CB-CZ3 3.46Å; A32-W146 VanDerWaalsContact CB-CZ3 3.46Å; A32-V149 HydrophobicContact CB-CG1 4.17Å; A32-V149 VanDerWaalsContact O-CG1 3.28Å; A32-V149 WeakPolarHBondContact O-CG1 3.42Å; A32-F152 HydrophobicContact CB-CB 4.3Å; A32-F152 HydrophobicContact CB-CD1 3.69Å; A32-F152 HydrophobicContact CB-CD2 4.09Å; A32-F152 HydrophobicContact CB-CE1 3.94Å; A32-F152 HydrophobicContact CB-CE2 4.34Å; A32-F152 HydrophobicContact CB-CG 3.75Å; A32-F152 HydrophobicContact CB-CZ 4.26Å
33Q94.6Very high95Very high100 Ų10052 Ų5247%0.46729%0.285SS..Hα-helixtrans-67.9-42.2179-62.185.3-26.900110.6L29 A30 L31 L36 A37L29-Q33 PolarHBondContact O-NE2 2.73Å; L29-Q33 PolarHBondContact O-OE1 3.14Å; A30-Q33 WeakPolarHBondContact O-CB 3.1Å; A30-Q33 PolarHBondContact O-N 2.73Å; A30-Q33 PolarHBondContact O-OE1 2.8Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 3.12Å; Q33-L36 PolarHBondContact O-N 2.84Å; Q33-A37 WeakPolarHBondContact O-CB 3.5Å; Q33-A37 PolarHBondContact O-N 2.7Å
34F96.9Very high95Very high128 Ų12854.8 Ų54.856%0.56131%0.305SS*.Hα-helixtrans-64-42.7174-79.3-79.7000112.1F26 A30 L31 A37 A38F26-F34 AromaticContact CE2-CD2 3.84Å; F26-F34 HydrophobicContact CE2-CD2 3.84Å; F26-F34 AromaticContact CE2-CE2 3.64Å; F26-F34 HydrophobicContact CE2-CE2 3.64Å; F26-F34 HydrophobicContact CE2-CZ 4.49Å; F26-F34 AromaticContact CZ-CD2 3.63Å; F26-F34 HydrophobicContact CZ-CD2 3.63Å; F26-F34 AromaticContact CZ-CE2 3.89Å; F26-F34 HydrophobicContact CZ-CE2 3.89Å; F26-F34 HydrophobicContact CZ-CG 4.32Å; A30-F34 HydrophobicContact CB-CD2 4.14Å; A30-F34 HydrophobicContact CB-CE2 4.04Å; A30-F34 VanDerWaalsContact O-CD2 3.24Å; A30-F34 WeakPolarHBondContact O-CD2 3.29Å; A30-F34 PolarHBondContact O-N 3.47Å; A30-F34 VanDerWaalsContact O-N 3.12Å; L31-F34 PolarHBondContact O-N 2.65Å; F34-A37 PolarHBondContact O-N 2.84Å; F34-A38 VanDerWaalsContact O-CB 3.3Å; F34-A38 WeakPolarHBondContact O-CB 3.41Å; F34-A38 PolarHBondContact O-N 2.89Å
35C97.6Very high95.1Very high17 Ų1756.5 Ų56.512%0.11532%0.318CS..Hα-helixtrans-63.3-42.3176.3-730000112L31 A32 A38 F39 V149 P150 F151 F152L31-C35 WeakPolarHBondContact O-CB 3.18Å; L31-C35 PolarHBondContact O-N 2.9Å; L31-C35 PolarHBondContact O-SG 3.09Å; A32-C35 PolarHBondContact O-N 3.4Å; C35-A38 PolarHBondContact O-N 3.33Å; C35-F39 PolarHBondContact O-N 3.17Å; C35-V149 HydrophobicContact CB-CG1 4.46Å; C35-P150 VanDerWaalsContact CB-O 3.27Å; C35-P150 WeakPolarHBondContact CB-O 3.27Å; C35-F151 HydrophobicContact CB-CB 4Å; C35-F151 HydrophobicContact CB-CD2 4.43Å; C35-F152 HydrophobicContact CB-CB 4.06Å
36L96.3Very high95.2Very high83 Ų8363.6 Ų63.644%0.43536%0.356SS..Hα-helixtrans-64.2-46.8175.8-178.160.9000111.2A32 Q33 A38 F39 V40 V149A32-L36 WeakPolarHBondContact O-CB 3.46Å; A32-L36 PolarHBondContact O-N 3.18Å; Q33-L36 PolarHBondContact O-N 2.84Å; L36-A38 VanDerWaalsContact C-N 3.33Å; L36-A38 PolarHBondContact O-N 3.21Å; L36-F39 PolarHBondContact O-N 3.42Å; L36-V40 HydrophobicContact CD1-CG2 4.48Å; L36-V40 WeakPolarHBondContact O-CG2 3.44Å; L36-V40 PolarHBondContact O-N 3.14Å; L36-V149 HydrophobicContact CB-CG1 4.17Å
37A97.1Very high95.3Very high47 Ų4768.3 Ų68.339%0.38837%0.371SS..Hα-helixtrans-59.5-44.4176.400000111.4Q33 F34 F39 V40 L41Q33-A37 WeakPolarHBondContact O-CB 3.5Å; Q33-A37 PolarHBondContact O-N 2.7Å; F34-A37 PolarHBondContact O-N 2.84Å; A37-F39 VanDerWaalsContact C-N 3.33Å; A37-F39 PolarHBondContact O-N 3.16Å; A37-V40 PolarHBondContact O-N 3.47Å; A37-L41 WeakPolarHBondContact O-CB 3.39Å; A37-L41 VanDerWaalsContact O-CG 3.24Å; A37-L41 WeakPolarHBondContact O-CG 3.45Å; A37-L41 PolarHBondContact O-N 3.09Å
38A97Very high95.5Very high47 Ų4774.4 Ų74.439%0.38839%0.393SS..Hα-helixtrans-60.2-41.617600000112.2F34 C35 L36 L41 L42F34-A38 VanDerWaalsContact O-CB 3.3Å; F34-A38 WeakPolarHBondContact O-CB 3.41Å; F34-A38 PolarHBondContact O-N 2.89Å; C35-A38 PolarHBondContact O-N 3.33Å; L36-A38 VanDerWaalsContact C-N 3.33Å; L36-A38 PolarHBondContact O-N 3.21Å; A38-L41 PolarHBondContact O-N 2.82Å; A38-L42 WeakPolarHBondContact O-CB 3.23Å; A38-L42 PolarHBondContact O-N 2.82Å
39F97.3Very high96Very high38 Ų3876 Ų7617%0.16740%0.403CS..Hα-helixtrans-65.3-43.9176.3-179.3-105.4000112.3C35 L36 A37 L42 A43 A51 Y54 A55 P150 F151C35-F39 PolarHBondContact O-N 3.17Å; L36-F39 PolarHBondContact O-N 3.42Å; A37-F39 VanDerWaalsContact C-N 3.33Å; A37-F39 PolarHBondContact O-N 3.16Å; F39-L42 PolarHBondContact O-N 3.24Å; F39-A43 WeakPolarHBondContact O-CB 3.49Å; F39-A43 PolarHBondContact O-N 2.84Å; F39-A51 HydrophobicContact CE2-CB 4.22Å; F39-Y54 AromaticContact CD2-CD1 3.81Å; F39-Y54 HydrophobicContact CD2-CD1 3.81Å; F39-Y54 HydrophobicContact CD2-CE1 4.28Å; F39-Y54 AromaticContact CE2-CD1 3.75Å; F39-Y54 HydrophobicContact CE2-CD1 3.75Å; F39-Y54 HydrophobicContact CE2-CE1 4.5Å; F39-A55 HydrophobicContact CZ-CB 4.2Å; F39-P150 HydrophobicContact CB-CB 3.93Å; F39-P150 HydrophobicContact CB-CG 4.19Å; F39-P150 HydrophobicContact CD1-CB 4.23Å; F39-P150 HydrophobicContact CD1-CG 3.73Å; F39-P150 HydrophobicContact CD2-CB 3.98Å; F39-P150 HydrophobicContact CD2-CG 4.32Å; F39-P150 HydrophobicContact CE1-CG 4.17Å; F39-P150 HydrophobicContact CG-CB 3.77Å; F39-P150 HydrophobicContact CG-CG 3.8Å; F39-F151 HydrophobicContact CB-CD2 4.26Å; F39-F151 HydrophobicContact CB-CE2 3.72Å; F39-F151 HydrophobicContact CD2-CE2 4.16Å; F39-F151 HydrophobicContact CD2-CZ 4.27Å; F39-F151 HydrophobicContact CG-CE2 4.44Å
40V97.1Very high96.3Very high76 Ų7675.1 Ų75.146%0.46140%0.404SS..Hα-helixtrans-62.4-46.1176172.60000110.7L36 A37 L42 A43 V44L36-V40 HydrophobicContact CD1-CG2 4.48Å; L36-V40 WeakPolarHBondContact O-CG2 3.44Å; L36-V40 PolarHBondContact O-N 3.14Å; A37-V40 PolarHBondContact O-N 3.47Å; V40-L42 VanDerWaalsContact C-N 3.32Å; V40-L42 PolarHBondContact O-N 3.4Å; V40-A43 PolarHBondContact O-N 2.86Å; V40-A43 VanDerWaalsContact O-N 3.14Å; V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.33Å
41L97.2Very high96.5Very high115 Ų11574.1 Ų74.160%0.60240%0.396SS*.Hα-helixtrans-60.2-42.1176.6-72.1173000111.7A37 A38 A43 V44 S45A37-L41 WeakPolarHBondContact O-CB 3.39Å; A37-L41 VanDerWaalsContact O-CG 3.24Å; A37-L41 WeakPolarHBondContact O-CG 3.45Å; A37-L41 PolarHBondContact O-N 3.09Å; A38-L41 PolarHBondContact O-N 2.82Å; L41-A43 VanDerWaalsContact C-N 3.31Å; L41-A43 PolarHBondContact O-N 2.98Å; L41-V44 PolarHBondContact O-N 2.89Å; L41-S45 WeakPolarHBondContact O-CB 3.41Å; L41-S45 PolarHBondContact O-N 3.38Å; L41-S45 PolarHBondContact O-OG 3.27Å
42L96.6Very high96.6Very high46 Ų4677.6 Ų77.624%0.24141%0.414CS..Hα-helixtrans-60.7-43.1175-16972000111.2A38 F39 V40 V44 S45 W47 W48 A50 A51 F151A38-L42 WeakPolarHBondContact O-CB 3.23Å; A38-L42 PolarHBondContact O-N 2.82Å; F39-L42 PolarHBondContact O-N 3.24Å; V40-L42 VanDerWaalsContact C-N 3.32Å; V40-L42 PolarHBondContact O-N 3.4Å; L42-V44 PolarHBondContact O-N 2.91Å; L42-S45 PolarHBondContact O-N 2.83Å; L42-S45 PolarHBondContact O-OG 3.19Å; L42-W47 HydrophobicContact CD1-CB 3.56Å; L42-W47 HydrophobicContact CD1-CG 4.39Å; L42-W47 HydrophobicContact CG-CB 4.41Å; L42-W47 CarbonylContact O-C 3.5Å; L42-W48 WeakPolarHBondContact O-CA 3.15Å; L42-W48 PolarHBondContact O-N 3.24Å; L42-A50 HydrophobicContact CD2-CB 4.28Å; L42-A51 HydrophobicContact CB-CB 4.22Å; L42-A51 HydrophobicContact CD2-CB 3.94Å; L42-A51 HydrophobicContact CG-CB 3.91Å; L42-F151 HydrophobicContact CD2-CZ 4.49Å
43A96.2Very high96.7Very high44 Ų4483.3 Ų83.336%0.36444%0.443SS..Hα-helixtrans-68.3-30.6-178.900000114.1F39 V40 L41 W48 A51F39-A43 WeakPolarHBondContact O-CB 3.49Å; F39-A43 PolarHBondContact O-N 2.84Å; V40-A43 PolarHBondContact O-N 2.86Å; V40-A43 VanDerWaalsContact O-N 3.14Å; L41-A43 VanDerWaalsContact C-N 3.31Å; L41-A43 PolarHBondContact O-N 2.98Å; A43-W48 VanDerWaalsContact O-CB 3.28Å; A43-W48 WeakPolarHBondContact O-CB 3.4Å; A43-A51 HydrophobicContact CB-CB 3.84Å
44V97.1Very high96.9Very high116 Ų11680.3 Ų80.370%0.70343%0.428SS*.Hα-helixtrans-94.5-8.6178.4-56.10000113.6V40 L41 L42V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.33Å; L41-V44 PolarHBondContact O-N 2.89Å; L42-V44 PolarHBondContact O-N 2.91Å
45S96.4Very high96.9Very high41 Ų4175.9 Ų75.929%0.28742%0.415SS..SBendtrans-86.2176.1177.373.10000112.6L41 L42 W47 W48L41-S45 WeakPolarHBondContact O-CB 3.41Å; L41-S45 PolarHBondContact O-N 3.38Å; L41-S45 PolarHBondContact O-OG 3.27Å; L42-S45 PolarHBondContact O-N 2.83Å; L42-S45 PolarHBondContact O-OG 3.19Å; S45-W47 PolarHBondContact O-N 3.25Å; S45-W47 PolarHBondContact OG-N 3.03Å; S45-W48 PolarHBondContact O-N 2.85Å; S45-W48 VanDerWaalsContact O-N 3.09Å
46D96.6Very high96.9Very high157 Ų15776.7 Ų76.784%0.8443%0.426SS*.THydrogen-bonded Turntrans-58.7-14.9171.5-59.7-39000113.4W48D46-W48 VanDerWaalsContact C-N 3.32Å; D46-W48 PolarHBondContact O-N 3.29Å
47W95.6Very high96.9Very high186 Ų18678.8 Ų78.871%0.70543%0.429SS*.THydrogen-bonded Turntrans-90.318.4177-60.387.5000113.8L42 S45 I49 A50 A51L42-W47 HydrophobicContact CD1-CB 3.56Å; L42-W47 HydrophobicContact CD1-CG 4.39Å; L42-W47 HydrophobicContact CG-CB 4.41Å; L42-W47 CarbonylContact O-C 3.5Å; S45-W47 PolarHBondContact O-N 3.25Å; S45-W47 PolarHBondContact OG-N 3.03Å; W47-I49 PolarHBondContact O-N 3.09Å; W47-I49 VanDerWaalsContact O-N 3.08Å; W47-A50 WeakPolarHBondContact O-CB 3.29Å; W47-A50 PolarHBondContact O-N 3.37Å; W47-A51 PolarHBondContact O-N 3.48Å
48W96.9Very high96.8Very high138 Ų13877.3 Ų77.352%0.52341%0.414SS..Hα-helixtrans-55.5-29.2-178.470.8-90.6000113.7L42 A43 S45 D46 A50 A51 L52L42-W48 WeakPolarHBondContact O-CA 3.15Å; L42-W48 PolarHBondContact O-N 3.24Å; A43-W48 VanDerWaalsContact O-CB 3.28Å; A43-W48 WeakPolarHBondContact O-CB 3.4Å; S45-W48 PolarHBondContact O-N 2.85Å; S45-W48 VanDerWaalsContact O-N 3.09Å; D46-W48 VanDerWaalsContact C-N 3.32Å; D46-W48 PolarHBondContact O-N 3.29Å; W48-A50 VanDerWaalsContact C-N 3.3Å; W48-A50 PolarHBondContact O-N 2.93Å; W48-A51 WeakPolarHBondContact O-CB 3.08Å; W48-A51 PolarHBondContact O-N 3.31Å; W48-A51 VanDerWaalsContact O-N 3.16Å; W48-L52 HydrophobicContact CE3-CB 4.47Å; W48-L52 HydrophobicContact CZ3-CD2 3.9Å; W48-L52 PolarHBondContact O-N 3.18Å
49I97.3Very high96.7Very high96 Ų9684.3 Ų84.349%0.49243%0.43SS..Hα-helixtrans-60.7-41.4174.4-61.5177.5000110.4W47 A51 L52 L53W47-I49 PolarHBondContact O-N 3.09Å; W47-I49 VanDerWaalsContact O-N 3.08Å; I49-A51 VanDerWaalsContact C-N 3.33Å; I49-A51 PolarHBondContact O-N 3.44Å; I49-L52 PolarHBondContact O-N 3.02Å; I49-L53 HydrophobicContact CG2-CD1 4.17Å; I49-L53 HydrophobicContact CG2-CG 4.36Å; I49-L53 VanDerWaalsContact O-CG 3.31Å; I49-L53 WeakPolarHBondContact O-CG 3.36Å; I49-L53 PolarHBondContact O-N 3.02Å
50A96.6Very high96.7Very high40 Ų4088.6 Ų88.633%0.33145%0.454SS..Hα-helixtrans-64.8-39.6176.100000111.4L42 W47 W48 L53 Y54L42-A50 HydrophobicContact CD2-CB 4.28Å; W47-A50 WeakPolarHBondContact O-CB 3.29Å; W47-A50 PolarHBondContact O-N 3.37Å; W48-A50 VanDerWaalsContact C-N 3.3Å; W48-A50 PolarHBondContact O-N 2.93Å; A50-L53 PolarHBondContact O-N 2.81Å; A50-Y54 WeakPolarHBondContact O-CB 3.24Å; A50-Y54 PolarHBondContact O-N 3.05Å
51A96.7Very high96.6Very high4 Ų485.6 Ų85.63%0.03344%0.436CS..Hα-helixtrans-63.1-40.9173.400000112F39 L42 A43 W47 W48 I49 Y54 A55F39-A51 HydrophobicContact CE2-CB 4.22Å; L42-A51 HydrophobicContact CB-CB 4.22Å; L42-A51 HydrophobicContact CD2-CB 3.94Å; L42-A51 HydrophobicContact CG-CB 3.91Å; A43-A51 HydrophobicContact CB-CB 3.84Å; W47-A51 PolarHBondContact O-N 3.48Å; W48-A51 WeakPolarHBondContact O-CB 3.08Å; W48-A51 PolarHBondContact O-N 3.31Å; W48-A51 VanDerWaalsContact O-N 3.16Å; I49-A51 VanDerWaalsContact C-N 3.33Å; I49-A51 PolarHBondContact O-N 3.44Å; A51-Y54 PolarHBondContact O-N 3.3Å; A51-A55 VanDerWaalsContact O-CB 3.32Å; A51-A55 WeakPolarHBondContact O-CB 3.31Å; A51-A55 PolarHBondContact O-N 3.34Å
52L97.1Very high96.4Very high106 Ų10686.9 Ų86.956%0.55543%0.433SS*.Hα-helixtrans-65.6-45.4177.4-178.465000111.7W48 I49 Y54 A55 G56W48-L52 HydrophobicContact CE3-CB 4.47Å; W48-L52 HydrophobicContact CZ3-CD2 3.9Å; W48-L52 PolarHBondContact O-N 3.18Å; I49-L52 PolarHBondContact O-N 3.02Å; L52-Y54 VanDerWaalsContact C-N 3.31Å; L52-Y54 PolarHBondContact O-N 2.93Å; L52-A55 PolarHBondContact O-N 3.05Å; L52-G56 PolarHBondContact O-N 3.44Å
53L97.6Very high96.3Very high124 Ų12489.5 Ų89.565%0.64945%0.447SS*.Hα-helixtrans-60.4-43.6175.6-71.1174.8000111I49 A50 G56 W57I49-L53 HydrophobicContact CG2-CD1 4.17Å; I49-L53 HydrophobicContact CG2-CG 4.36Å; I49-L53 VanDerWaalsContact O-CG 3.31Å; I49-L53 WeakPolarHBondContact O-CG 3.36Å; I49-L53 PolarHBondContact O-N 3.02Å; A50-L53 PolarHBondContact O-N 2.81Å; L53-G56 PolarHBondContact O-N 3.03Å; L53-W57 PolarHBondContact O-N 2.81Å
54Y97Very high96.2Very high37 Ų3788.8 Ų88.815%0.14544%0.438CS..Hα-helixtrans-66.2-39.8175.7-175.7-124.1000112.1F39 A50 A51 L52 G56 W57 L58 P150 F151 D154F39-Y54 AromaticContact CD2-CD1 3.81Å; F39-Y54 HydrophobicContact CD2-CD1 3.81Å; F39-Y54 HydrophobicContact CD2-CE1 4.28Å; F39-Y54 AromaticContact CE2-CD1 3.75Å; F39-Y54 HydrophobicContact CE2-CD1 3.75Å; F39-Y54 HydrophobicContact CE2-CE1 4.5Å; A50-Y54 WeakPolarHBondContact O-CB 3.24Å; A50-Y54 PolarHBondContact O-N 3.05Å; A51-Y54 PolarHBondContact O-N 3.3Å; L52-Y54 VanDerWaalsContact C-N 3.31Å; L52-Y54 PolarHBondContact O-N 2.93Å; Y54-G56 VanDerWaalsContact C-N 3.34Å; Y54-G56 PolarHBondContact O-N 3.13Å; Y54-W57 WeakPolarHBondContact O-CB 3.3Å; Y54-W57 PolarHBondContact O-N 3.03Å; Y54-L58 HydrophobicContact CD1-CD1 4.07Å; Y54-L58 HydrophobicContact CD1-CG 4.33Å; Y54-L58 HydrophobicContact CD2-CG 4.49Å; Y54-L58 HydrophobicContact CE1-CD1 3.74Å; Y54-L58 HydrophobicContact CE1-CD2 4.27Å; Y54-L58 HydrophobicContact CE1-CG 4.05Å; Y54-L58 HydrophobicContact CE2-CD2 4.03Å; Y54-L58 HydrophobicContact CE2-CG 4.18Å; Y54-L58 VanDerWaalsContact O-CG 3.31Å; Y54-L58 WeakPolarHBondContact O-CG 3.44Å; Y54-L58 PolarHBondContact O-N 2.89Å; Y54-P150 HydrophobicContact CE1-CB 3.76Å; Y54-F151 HydrophobicContact CD1-CD1 4.3Å; Y54-F151 AromaticContact CD1-CE1 3.61Å; Y54-F151 HydrophobicContact CD1-CE1 3.61Å; Y54-F151 AromaticContact CD1-CZ 3.79Å; Y54-F151 HydrophobicContact CD1-CZ 3.79Å; Y54-F151 HydrophobicContact CD2-CE1 4.48Å; Y54-F151 AromaticContact CE1-CD1 3.5Å; Y54-F151 HydrophobicContact CE1-CD1 3.5Å; Y54-F151 HydrophobicContact CE1-CD2 4.46Å; Y54-F151 AromaticContact CE1-CE1 3.27Å; Y54-F151 HydrophobicContact CE1-CE1 3.27Å; Y54-F151 HydrophobicContact CE1-CE2 4.29Å; Y54-F151 HydrophobicContact CE1-CG 4.11Å; Y54-F151 AromaticContact CE1-CZ 3.71Å; Y54-F151 HydrophobicContact CE1-CZ 3.71Å; Y54-F151 HydrophobicContact CE2-CD1 4.38Å; Y54-F151 HydrophobicContact CE2-CE1 4.26Å; Y54-F151 HydrophobicContact CG-CE1 4.21Å; Y54-F151 AromaticContact CZ-CD1 3.58Å; Y54-F151 AromaticContact CZ-CE1 3.68Å; Y54-F151 WeakPolarHBondContact OH-CA 3.2Å; Y54-F151 PolarHBondContact OH-N 3.33Å; Y54-D154 PolarHBondContact OH-OD2 3.15Å
55A96.8Very high96.1Very high36 Ų3683.5 Ų83.530%0.29841%0.407SS..Hα-helixtrans-62.2-41.2174.300000112F39 A51 L52 W57 L58 W59F39-A55 HydrophobicContact CZ-CB 4.2Å; A51-A55 VanDerWaalsContact O-CB 3.32Å; A51-A55 WeakPolarHBondContact O-CB 3.31Å; A51-A55 PolarHBondContact O-N 3.34Å; L52-A55 PolarHBondContact O-N 3.05Å; A55-W57 VanDerWaalsContact C-N 3.35Å; A55-L58 WeakPolarHBondContact O-CB 3.45Å; A55-L58 PolarHBondContact O-N 3.48Å; A55-W59 PolarHBondContact O-N 3.01Å
56G97.5Very high96Very high34 Ų3483.1 Ų83.135%0.35140%0.402SS..Hα-helixtrans-60.2-44.4172.700000111.8L52 L53 Y54 W59 L60L52-G56 PolarHBondContact O-N 3.44Å; L53-G56 PolarHBondContact O-N 3.03Å; Y54-G56 VanDerWaalsContact C-N 3.34Å; Y54-G56 PolarHBondContact O-N 3.13Å; G56-W59 PolarHBondContact O-N 3.45Å; G56-L60 WeakPolarHBondContact O-CG 3.41Å; G56-L60 PolarHBondContact O-N 2.95Å
57W96.4Very high95.8Very high127 Ų12778.2 Ų78.248%0.48138%0.38SS..Hα-helixtrans-59.6-45.3171.9173.3-99.7000112.4L53 Y54 A55 W59 L60 D61L53-W57 PolarHBondContact O-N 2.81Å; Y54-W57 WeakPolarHBondContact O-CB 3.3Å; Y54-W57 PolarHBondContact O-N 3.03Å; A55-W57 VanDerWaalsContact C-N 3.35Å; W57-W59 VanDerWaalsContact C-N 3.26Å; W57-W59 PolarHBondContact O-N 3.05Å; W57-L60 PolarHBondContact O-N 3.24Å; W57-D61 WeakPolarHBondContact O-CB 3.22Å; W57-D61 PolarHBondContact O-N 3.18Å
58L95.8Very high95.3Very high16 Ų1669.9 Ų69.98%0.08435%0.353CS..Hα-helixtrans-61.1-34.7178.3-73.1-176.9000112.9Y54 A55 D61 W62 P150 R153Y54-L58 HydrophobicContact CD1-CD1 4.07Å; Y54-L58 HydrophobicContact CD1-CG 4.33Å; Y54-L58 HydrophobicContact CD2-CG 4.49Å; Y54-L58 HydrophobicContact CE1-CD1 3.74Å; Y54-L58 HydrophobicContact CE1-CD2 4.27Å; Y54-L58 HydrophobicContact CE1-CG 4.05Å; Y54-L58 HydrophobicContact CE2-CD2 4.03Å; Y54-L58 HydrophobicContact CE2-CG 4.18Å; Y54-L58 VanDerWaalsContact O-CG 3.31Å; Y54-L58 WeakPolarHBondContact O-CG 3.44Å; Y54-L58 PolarHBondContact O-N 2.89Å; A55-L58 WeakPolarHBondContact O-CB 3.45Å; A55-L58 PolarHBondContact O-N 3.48Å; L58-D61 CarbonylContact O-C 3.34Å; L58-W62 WeakPolarHBondContact O-CA 3.47Å; L58-W62 PolarHBondContact O-N 3.05Å; L58-W62 VanDerWaalsContact O-N 3.14Å; L58-P150 HydrophobicContact CD1-CB 3.93Å; L58-P150 HydrophobicContact CD1-CG 4.06Å; L58-R153 HydrophobicContact CD2-CG 4.46Å; L58-R153 PolarHBondContact O-NH1 2.92Å
59W96Very high95Very high193 Ų19364.4 Ų64.473%0.73134%0.339SS*.Hα-helixtrans-69-45.6175.5-179.579.9000111.6A55 G56 W57 D61 W62A55-W59 PolarHBondContact O-N 3.01Å; G56-W59 PolarHBondContact O-N 3.45Å; W57-W59 VanDerWaalsContact C-N 3.26Å; W57-W59 PolarHBondContact O-N 3.05Å; W59-D61 PolarHBondContact O-N 3.31Å; W59-W62 WeakPolarHBondContact O-CB 3.41Å; W59-W62 PolarHBondContact O-N 2.79Å
60L95.6Very high94.8Very high128 Ų12864 Ų6467%0.6733%0.331SS*.Hα-helixtrans-62.8-35.2174.5-67.8173.1000112.1G56 W57G56-L60 WeakPolarHBondContact O-CG 3.41Å; G56-L60 PolarHBondContact O-N 2.95Å; W57-L60 PolarHBondContact O-N 3.24Å
61D95.1Very high94.7Very high14 Ų1465.6 Ų65.68%0.07533%0.329CS..THydrogen-bonded Turntrans-93.111.5-176-167.656.6000113.7W57 L58 W59 D63 T64 R70 R153W57-D61 WeakPolarHBondContact O-CB 3.22Å; W57-D61 PolarHBondContact O-N 3.18Å; L58-D61 CarbonylContact O-C 3.34Å; W59-D61 PolarHBondContact O-N 3.31Å; D61-D63 VanDerWaalsContact C-N 3.28Å; D61-D63 PolarHBondContact O-N 2.84Å; D61-D63 VanDerWaalsContact O-N 3.15Å; D61-T64 WeakPolarHBondContact O-CB 3.46Å; D61-T64 PolarHBondContact O-N 2.87Å; D61-T64 WeakPolarHBondContact OD1-CB 3.34Å; D61-T64 PolarHBondContact OD1-OG1 2.89Å; D61-R70 IonicContact OD1-CZ 2.77Å; D61-R70 IonicContact OD1-NH1 2.99Å; D61-R70 PolarHBondContact OD1-NH1 3.45Å; D61-R70 IonicContact OD1-NH2 3.18Å; D61-R70 IonicContact OD2-CZ 3.28Å; D61-R70 IonicContact OD2-NH1 3.84Å; D61-R70 PolarHBondContact OD2-NH1 3.4Å; D61-R70 IonicContact OD2-NH2 2.73Å; D61-R70 PolarHBondContact OD2-NH2 3.05Å; D61-R153 PolarHBondContact O-NH2 3.18Å; D61-R153 IonicContact OD2-CZ 3.17Å; D61-R153 IonicContact OD2-NH2 2.7Å; D61-R153 PolarHBondContact OD2-NH2 2.64Å
62W93.1Very high94.7Very high141 Ų14167.3 Ų67.353%0.53434%0.34SS..THydrogen-bonded Turntrans-55.6-39.1-166.5-170.8-97.5000114.2L58 W59 P65L58-W62 WeakPolarHBondContact O-CA 3.47Å; L58-W62 PolarHBondContact O-N 3.05Å; L58-W62 VanDerWaalsContact O-N 3.14Å; W59-W62 WeakPolarHBondContact O-CB 3.41Å; W59-W62 PolarHBondContact O-N 2.79Å; W62-P65 WeakPolarHBondContact O-CD 3.33Å
63D94.8Very high94.6Very high102 Ų10266.7 Ų66.755%0.54533%0.334SS..THydrogen-bonded Turntrans-88.7-4-173.5-67.4-36.5000114.6D61 P65 T66 S67D61-D63 VanDerWaalsContact C-N 3.28Å; D61-D63 PolarHBondContact O-N 2.84Å; D61-D63 VanDerWaalsContact O-N 3.15Å; D63-P65 VanDerWaalsContact C-CD 3.46Å; D63-T66 CarbonylContact O-C 3.5Å; D63-T66 WeakPolarHBondContact O-CA 3.48Å; D63-T66 PolarHBondContact O-N 3.39Å; D63-T66 PolarHBondContact O-OG1 2.91Å; D63-S67 WeakPolarHBondContact O-CB 3.32Å; D63-S67 PolarHBondContact O-N 3.18Å; D63-S67 PolarHBondContact O-OG 2.8Å
64T94.9Very high94.5Very high28 Ų2869.5 Ų69.517%0.17234%0.336CS..G310 helixtrans-53.2-44.1-179.5-73.30000114D61 T66 S67 G69 R70 I157D61-T64 WeakPolarHBondContact O-CB 3.46Å; D61-T64 PolarHBondContact O-N 2.87Å; D61-T64 WeakPolarHBondContact OD1-CB 3.34Å; D61-T64 PolarHBondContact OD1-OG1 2.89Å; T64-T66 PolarHBondContact O-N 2.88Å; T64-S67 PolarHBondContact O-N 3.4Å; T64-G69 VanDerWaalsContact O-CA 3.3Å; T64-G69 WeakPolarHBondContact O-CA 3.49Å; T64-G69 PolarHBondContact O-N 3.48Å; T64-R70 HydrophobicContact CG2-CG 3.93Å; T64-I157 HydrophobicContact CG2-CD1 4.47Å
65P93.7Very high94.5Very high6 Ų668.3 Ų68.34%0.03933%0.333CS..G310 helixtrans-59.5-26.3174.7-23.633.3000114.7W62 D63 F147 I157 S163 S168W62-P65 WeakPolarHBondContact O-CD 3.33Å; D63-P65 VanDerWaalsContact C-CD 3.46Å; P65-F147 HydrophobicContact CB-CB 3.79Å; P65-F147 HydrophobicContact CB-CD1 3.56Å; P65-F147 HydrophobicContact CB-CD2 4.23Å; P65-F147 HydrophobicContact CB-CE1 4.15Å; P65-F147 HydrophobicContact CB-CG 3.59Å; P65-F147 HydrophobicContact CG-CB 3.7Å; P65-F147 HydrophobicContact CG-CD1 3.83Å; P65-F147 HydrophobicContact CG-CG 3.96Å; P65-I157 HydrophobicContact CG-CD1 3.92Å; P65-S163 PolarHBondContact O-N 3.27Å; P65-S168 PolarHBondContact O-OG 3.17Å
66T94.3Very high94.5Very high32 Ų3266.7 Ų66.720%0.19632%0.319CS..G310 helixtrans-94.2-10.9177.450.40000113.2D63 T64 S168D63-T66 CarbonylContact O-C 3.5Å; D63-T66 WeakPolarHBondContact O-CA 3.48Å; D63-T66 PolarHBondContact O-N 3.39Å; D63-T66 PolarHBondContact O-OG1 2.91Å; T64-T66 PolarHBondContact O-N 2.88Å; T66-S168 VanDerWaalsContact O-CA 3.25Å; T66-S168 WeakPolarHBondContact O-CA 3.44Å
67S93.2Very high94.5Very high54 Ų5470.7 Ų70.738%0.37833%0.327SS..THydrogen-bonded Turntrans-112.335.5-174.5-61.60000112.8D63 T64 H171D63-S67 WeakPolarHBondContact O-CB 3.32Å; D63-S67 PolarHBondContact O-N 3.18Å; D63-S67 PolarHBondContact O-OG 2.8Å; T64-S67 PolarHBondContact O-N 3.4Å; S67-H171 WeakPolarHBondContact CA-NE2 3.49Å; S67-H171 PolarHBondContact O-NE2 3.04Å; S67-H171 VanDerWaalsContact O-NE2 3.13Å
68G86Confident94.5Very high12 Ų1268.2 Ų68.212%0.12432%0.318CS..THydrogen-bonded Turntrans90.6-7.2177.400000115.4H139G68-H139 PolarHBondContact O-CE1 3.49Å; G68-H139 VanDerWaalsContact O-CE1 3.25Å; G68-H139 PolarHBondContact O-ND1 3.19Å
69G90.6Very high94.6Very high23 Ų2370.5 Ų70.524%0.23734%0.335CS..  trans69.2-169178.800000114T64T64-G69 VanDerWaalsContact O-CA 3.3Å; T64-G69 WeakPolarHBondContact O-CA 3.49Å; T64-G69 PolarHBondContact O-N 3.48Å
70R92.6Very high94.6Very high88 Ų8862.8 Ų62.833%0.33231%0.309SS..  trans-125.371.8177.4-71-171.4-68.6-113.9-5.1109.8D61 T64 C72 D154 I157D61-R70 IonicContact OD1-CZ 2.77Å; D61-R70 IonicContact OD1-NH1 2.99Å; D61-R70 PolarHBondContact OD1-NH1 3.45Å; D61-R70 IonicContact OD1-NH2 3.18Å; D61-R70 IonicContact OD2-CZ 3.28Å; D61-R70 IonicContact OD2-NH1 3.84Å; D61-R70 PolarHBondContact OD2-NH1 3.4Å; D61-R70 IonicContact OD2-NH2 2.73Å; D61-R70 PolarHBondContact OD2-NH2 3.05Å; T64-R70 HydrophobicContact CG2-CG 3.93Å; R70-C72 PolarHBondContact O-N 2.91Å; R70-D154 IonicContact CZ-OD1 3.61Å; R70-D154 IonicContact NH2-OD1 3.08Å; R70-D154 PolarHBondContact NH2-OD1 3.2Å; R70-I157 HydrophobicContact CB-CG2 3.76Å
71R94.2Very high94.7Very high72 Ų7257 Ų5727%0.27228%0.278SS..  trans-63.8123.2-179.4-170178.269.7160.45110.3R76 R137R71-R76 VanDerWaalsContact CG-CD 3.43Å; R71-R137 VanDerWaalsContact NH1-CA 3.31Å
72C96.1Very high94.8Very high41 Ų4163.4 Ų63.428%0.27730%0.301SS..  trans-106.1107.5-178.4-178.10000110.7R70 W74 V75 R76 C158R70-C72 PolarHBondContact O-N 2.91Å; C72-W74 PolarHBondContact O-N 2.9Å; C72-V75 HydrophobicContact CB-CB 4.15Å; C72-V75 HydrophobicContact CB-CG2 3.98Å; C72-V75 PolarHBondContact O-N 3.42Å; C72-R76 WeakPolarHBondContact O-CG 3.33Å; C72-R76 PolarHBondContact O-N 2.88Å; C72-R76 VanDerWaalsContact O-N 3.09Å; C72-C158 HydrophobicContact CB-CB 3.86Å; C72-C158 PolarHBondContact N-O 3.16Å
73H95.1Very high95Very high92 Ų9259.2 Ų59.243%0.42629%0.287SS..Hα-helixtrans-62.1-30.1-177.9-179.2-115.3000113.4R76 K77H73-R76 PolarHBondContact O-N 3.48Å; H73-K77 WeakPolarHBondContact CE1-CE 3.25Å; H73-K77 PolarHBondContact CE1-NZ 3.43Å; H73-K77 WeakPolarHBondContact NE2-CE 3.42Å; H73-K77 PolarHBondContact NE2-NZ 2.9Å; H73-K77 WeakPolarHBondContact O-CB 3.29Å; H73-K77 WeakPolarHBondContact O-CG 3.15Å; H73-K77 PolarHBondContact O-N 3.22Å; H73-K77 VanDerWaalsContact O-N 3.14Å
74W96.4Very high95.1Very high183 Ų18354.3 Ų54.369%0.69326%0.261SS*.Hα-helixtrans-64.3-47.9174.5178.279.4000111.9C72 R76 K77 W78C72-W74 PolarHBondContact O-N 2.9Å; W74-R76 VanDerWaalsContact C-N 3.33Å; W74-R76 PolarHBondContact O-N 3.36Å; W74-K77 PolarHBondContact O-N 2.69Å; W74-K77 VanDerWaalsContact O-N 3.09Å; W74-W78 AromaticContact CD2-NE1 3.58Å; W74-W78 AromaticContact CE2-NE1 3.68Å; W74-W78 HydrophobicContact CE3-CZ2 4.32Å; W74-W78 AromaticContact CE3-NE1 3.28Å; W74-W78 VanDerWaalsContact CE3-NE1 3.28Å; W74-W78 AromaticContact CH2-CE2 3.92Å; W74-W78 HydrophobicContact CH2-CZ2 4.03Å; W74-W78 AromaticContact CH2-NE1 3.24Å; W74-W78 AromaticContact CZ2-NE1 3.52Å; W74-W78 AromaticContact CZ3-CE2 3.66Å; W74-W78 AromaticContact CZ3-CZ2 3.61Å; W74-W78 HydrophobicContact CZ3-CZ2 3.61Å; W74-W78 AromaticContact CZ3-NE1 3.12Å; W74-W78 VanDerWaalsContact O-CD1 3.26Å; W74-W78 PolarHBondContact O-N 2.9Å
75V96.3Very high95.2Very high13 Ų1357 Ų578%0.07927%0.268CS..Hα-helixtrans-59.6-44.7175.8174.80000110.7C72 K77 W78 W81 C158C72-V75 HydrophobicContact CB-CB 4.15Å; C72-V75 HydrophobicContact CB-CG2 3.98Å; C72-V75 PolarHBondContact O-N 3.42Å; V75-K77 PolarHBondContact O-N 2.75Å; V75-K77 VanDerWaalsContact O-N 3.16Å; V75-W78 HydrophobicContact CB-CZ2 4.4Å; V75-W78 HydrophobicContact CG1-CD2 4.28Å; V75-W78 HydrophobicContact CG1-CE3 4.27Å; V75-W78 HydrophobicContact CG1-CH2 4.21Å; V75-W78 HydrophobicContact CG1-CZ2 4.21Å; V75-W78 HydrophobicContact CG1-CZ3 4.23Å; V75-W78 HydrophobicContact CG2-CH2 4.46Å; V75-W78 HydrophobicContact CG2-CZ2 3.85Å; V75-W78 VanDerWaalsContact O-CG 3.32Å; V75-W78 PolarHBondContact O-N 2.81Å; V75-W81 PolarHBondContact O-NE1 3.26Å; V75-C158 HydrophobicContact CB-CB 4.08Å; V75-C158 HydrophobicContact CG1-CB 4.07Å; V75-C158 HydrophobicContact CG2-CB 3.94Å
76R97Very high95.4Very high1 Ų158.5 Ų58.50%0.00428%0.276CS..Hα-helixtrans-63.6-21.2178.9-61.3-178.462.7-123.2-3.2113.4R71 C72 H73 W74 W81 C123 E125R71-R76 VanDerWaalsContact CG-CD 3.43Å; C72-R76 WeakPolarHBondContact O-CG 3.33Å; C72-R76 PolarHBondContact O-N 2.88Å; C72-R76 VanDerWaalsContact O-N 3.09Å; H73-R76 PolarHBondContact O-N 3.48Å; W74-R76 VanDerWaalsContact C-N 3.33Å; W74-R76 PolarHBondContact O-N 3.36Å; R76-W81 VanDerWaalsContact O-CD1 3.3Å; R76-C123 VanDerWaalsContact CG-O 3.22Å; R76-C123 WeakPolarHBondContact CG-O 3.45Å; R76-C123 PolarHBondContact NE-O 2.87Å; R76-E125 HydrophobicContact CB-CG 4.16Å; R76-E125 IonicContact CZ-OE1 2.63Å; R76-E125 IonicContact NH1-OE1 3.71Å; R76-E125 PolarHBondContact NH1-OE1 2.99Å; R76-E125 IonicContact NH2-OE1 3.78Å; R76-E125 PolarHBondContact NH2-OE1 3.4Å; R76-E125 PolarHBondContact O-N 3.38Å
77K97.2Very high95.5Very high118 Ų11857.1 Ų57.151%0.51327%0.267SS..THydrogen-bonded Turntrans-98.44.8178.8-79.2-173.2167.7-179.50114.7H73 W74 V75 S79 E125H73-K77 WeakPolarHBondContact CE1-CE 3.25Å; H73-K77 PolarHBondContact CE1-NZ 3.43Å; H73-K77 WeakPolarHBondContact NE2-CE 3.42Å; H73-K77 PolarHBondContact NE2-NZ 2.9Å; H73-K77 WeakPolarHBondContact O-CB 3.29Å; H73-K77 WeakPolarHBondContact O-CG 3.15Å; H73-K77 PolarHBondContact O-N 3.22Å; H73-K77 VanDerWaalsContact O-N 3.14Å; W74-K77 PolarHBondContact O-N 2.69Å; W74-K77 VanDerWaalsContact O-N 3.09Å; V75-K77 PolarHBondContact O-N 2.75Å; V75-K77 VanDerWaalsContact O-N 3.16Å; K77-S79 PolarHBondContact O-N 2.87Å; K77-E125 HydrophobicContact CG-CB 3.91Å; K77-E125 HydrophobicContact CG-CG 3.96Å
78W97.3Very high95.6Very high76 Ų7654.5 Ų54.529%0.28825%0.249SC..  trans-53.1142.1178.8-73.3-11.8000112.6W74 V75 V80 W81 Y155W74-W78 AromaticContact CD2-NE1 3.58Å; W74-W78 AromaticContact CE2-NE1 3.68Å; W74-W78 HydrophobicContact CE3-CZ2 4.32Å; W74-W78 AromaticContact CE3-NE1 3.28Å; W74-W78 VanDerWaalsContact CE3-NE1 3.28Å; W74-W78 AromaticContact CH2-CE2 3.92Å; W74-W78 HydrophobicContact CH2-CZ2 4.03Å; W74-W78 AromaticContact CH2-NE1 3.24Å; W74-W78 AromaticContact CZ2-NE1 3.52Å; W74-W78 AromaticContact CZ3-CE2 3.66Å; W74-W78 AromaticContact CZ3-CZ2 3.61Å; W74-W78 HydrophobicContact CZ3-CZ2 3.61Å; W74-W78 AromaticContact CZ3-NE1 3.12Å; W74-W78 VanDerWaalsContact O-CD1 3.26Å; W74-W78 PolarHBondContact O-N 2.9Å; V75-W78 HydrophobicContact CB-CZ2 4.4Å; V75-W78 HydrophobicContact CG1-CD2 4.28Å; V75-W78 HydrophobicContact CG1-CE3 4.27Å; V75-W78 HydrophobicContact CG1-CH2 4.21Å; V75-W78 HydrophobicContact CG1-CZ2 4.21Å; V75-W78 HydrophobicContact CG1-CZ3 4.23Å; V75-W78 HydrophobicContact CG2-CH2 4.46Å; V75-W78 HydrophobicContact CG2-CZ2 3.85Å; V75-W78 VanDerWaalsContact O-CG 3.32Å; V75-W78 PolarHBondContact O-N 2.81Å; W78-V80 HydrophobicContact CB-CG1 3.87Å; W78-V80 HydrophobicContact CE3-CG1 4.19Å; W78-V80 PolarHBondContact O-N 3.47Å; W78-W81 AromaticContact CE3-CZ2 3.83Å; W78-W81 HydrophobicContact CE3-CZ2 3.83Å; W78-W81 HydrophobicContact CZ3-CZ2 4.32Å; W78-W81 PolarHBondContact O-N 2.81Å; W78-W81 VanDerWaalsContact O-N 3.08Å; W78-Y155 HydrophobicContact CH2-CE2 4.32Å; W78-Y155 HydrophobicContact CZ3-CE2 4.08Å
79S96.4Very high96Very high64 Ų6457.5 Ų57.545%0.44827%0.267SS..Hα-helixtrans-58.5-31-179.354.90000112.7K77 W81 R82 H83K77-S79 PolarHBondContact O-N 2.87Å; S79-W81 PolarHBondContact O-N 2.89Å; S79-R82 WeakPolarHBondContact O-CB 3.48Å; S79-R82 PolarHBondContact O-N 2.95Å; S79-H83 PolarHBondContact O-N 2.88Å
80V97Very high96.3Very high31 Ų3156.9 Ų56.919%0.18826%0.258CS..Hα-helixtrans-55-34.9176.5730000112.3A20 W78 R82 H83 F84A20-V80 HydrophobicContact CB-CG2 3.49Å; A20-V80 VanDerWaalsContact CB-CG2 3.49Å; A20-V80 WeakPolarHBondContact CB-O 3.4Å; W78-V80 HydrophobicContact CB-CG1 3.87Å; W78-V80 HydrophobicContact CE3-CG1 4.19Å; W78-V80 PolarHBondContact O-N 3.47Å; V80-R82 VanDerWaalsContact C-N 3.32Å; V80-R82 PolarHBondContact O-N 3.13Å; V80-H83 WeakPolarHBondContact O-CB 3.45Å; V80-H83 PolarHBondContact O-N 3.26Å; V80-F84 PolarHBondContact O-N 3.35Å
81W97.6Very high96.5Very high7 Ų757.3 Ų57.33%0.02726%0.263CS..Hα-helixtrans-71-26.8179.8-49.4133.7000113.2V75 R76 W78 S79 F84 R85 F119 T124 A126V75-W81 PolarHBondContact O-NE1 3.26Å; R76-W81 VanDerWaalsContact O-CD1 3.3Å; W78-W81 AromaticContact CE3-CZ2 3.83Å; W78-W81 HydrophobicContact CE3-CZ2 3.83Å; W78-W81 HydrophobicContact CZ3-CZ2 4.32Å; W78-W81 PolarHBondContact O-N 2.81Å; W78-W81 VanDerWaalsContact O-N 3.08Å; S79-W81 PolarHBondContact O-N 2.89Å; W81-F84 HydrophobicContact CE3-CB 4.42Å; W81-F84 WeakPolarHBondContact O-CB 3.49Å; W81-F84 PolarHBondContact O-N 3.28Å; W81-R85 PolarHBondContact O-N 3.23Å; W81-F119 AromaticContact CE3-CE1 3.94Å; W81-F119 HydrophobicContact CE3-CE1 3.94Å; W81-F119 HydrophobicContact CE3-CZ 4.38Å; W81-F119 HydrophobicContact CH2-CE1 4.19Å; W81-F119 AromaticContact CH2-CZ 3.87Å; W81-F119 HydrophobicContact CH2-CZ 3.87Å; W81-F119 HydrophobicContact CZ2-CZ 4.29Å; W81-F119 AromaticContact CZ3-CE1 3.74Å; W81-F119 HydrophobicContact CZ3-CE1 3.74Å; W81-F119 AromaticContact CZ3-CZ 3.91Å; W81-F119 HydrophobicContact CZ3-CZ 3.91Å; W81-T124 HydrophobicContact CB-CG2 4.14Å; W81-T124 HydrophobicContact CD2-CG2 3.72Å; W81-T124 HydrophobicContact CE3-CG2 4.21Å; W81-T124 HydrophobicContact CG-CG2 3.67Å; W81-A126 HydrophobicContact CB-CB 3.9Å; W81-A126 VanDerWaalsContact O-CB 3.24Å; W81-A126 WeakPolarHBondContact O-CB 3.32Å
82R97.1Very high96.6Very high148 Ų14854.6 Ų54.656%0.55825%0.254SS*.Hα-helixtrans-67-40.6171.6-65-176.5-74.3-178.4-6111S79 V80 R85 D86S79-R82 WeakPolarHBondContact O-CB 3.48Å; S79-R82 PolarHBondContact O-N 2.95Å; V80-R82 VanDerWaalsContact C-N 3.32Å; V80-R82 PolarHBondContact O-N 3.13Å; R82-R85 PolarHBondContact O-N 3.27Å; R82-D86 WeakPolarHBondContact O-CB 3.31Å; R82-D86 PolarHBondContact O-N 3.45Å
83H97.8Very high96.5Very high52 Ų5255 Ų5524%0.24126%0.255CS..Hα-helixtrans-68.4-36.7174.7-64.1-49.8000112.3Q17 A20 S79 V80 D86 Y87Q17-H83 HydrophobicContact CG-CB 4.47Å; Q17-H83 WeakPolarHBondContact CG-O 3.31Å; A20-H83 HydrophobicContact CB-CB 3.64Å; S79-H83 PolarHBondContact O-N 2.88Å; V80-H83 WeakPolarHBondContact O-CB 3.45Å; V80-H83 PolarHBondContact O-N 3.26Å; H83-D86 PolarHBondContact O-N 3.05Å; H83-Y87 WeakPolarHBondContact O-CB 3.24Å; H83-Y87 PolarHBondContact O-N 3.27Å
84F97.3Very high96.3Very high0 Ų053.4 Ų53.40%025%0.247CC..Hα-helixtrans-60.3-49.3171.8-179.9-94.1000111.5A20 V21 W24 V80 W81 D86 Y87 F88 L90 A116 F119A20-F84 HydrophobicContact CB-CB 4.47Å; V21-F84 HydrophobicContact CG2-CD2 3.88Å; V21-F84 HydrophobicContact CG2-CE2 4.35Å; W24-F84 HydrophobicContact CB-CD2 4.06Å; W24-F84 HydrophobicContact CB-CE2 3.93Å; W24-F84 HydrophobicContact CD2-CD2 4.42Å; W24-F84 AromaticContact CD2-CE2 3.44Å; W24-F84 HydrophobicContact CD2-CE2 3.44Å; W24-F84 VanDerWaalsContact CD2-CE2 3.44Å; W24-F84 AromaticContact CD2-CZ 3.97Å; W24-F84 HydrophobicContact CD2-CZ 3.97Å; W24-F84 AromaticContact CE2-CE2 3.96Å; W24-F84 AromaticContact CE2-CZ 3.99Å; W24-F84 AromaticContact CE3-CE2 3.68Å; W24-F84 HydrophobicContact CE3-CE2 3.68Å; W24-F84 HydrophobicContact CE3-CZ 4.31Å; W24-F84 HydrophobicContact CG-CD2 4.12Å; W24-F84 AromaticContact CG-CE2 3.54Å; W24-F84 HydrophobicContact CG-CE2 3.54Å; W24-F84 HydrophobicContact CG-CZ 4.27Å; W24-F84 HydrophobicContact CZ2-CZ 4.34Å; W24-F84 HydrophobicContact CZ3-CE2 4.33Å; V80-F84 PolarHBondContact O-N 3.35Å; W81-F84 HydrophobicContact CE3-CB 4.42Å; W81-F84 WeakPolarHBondContact O-CB 3.49Å; W81-F84 PolarHBondContact O-N 3.28Å; F84-D86 PolarHBondContact O-N 3.14Å; F84-Y87 VanDerWaalsContact O-CB 3.31Å; F84-Y87 WeakPolarHBondContact O-CB 3.48Å; F84-Y87 PolarHBondContact O-N 3.06Å; F84-F88 HydrophobicContact CD2-CD2 4.49Å; F84-F88 HydrophobicContact CD2-CE2 4.03Å; F84-F88 HydrophobicContact CE1-CD2 4.29Å; F84-F88 HydrophobicContact CE1-CE2 4.32Å; F84-F88 HydrophobicContact CE2-CD2 4.22Å; F84-F88 AromaticContact CE2-CE2 3.53Å; F84-F88 HydrophobicContact CE2-CE2 3.53Å; F84-F88 HydrophobicContact CZ-CD2 4.12Å; F84-F88 AromaticContact CZ-CE2 3.7Å; F84-F88 HydrophobicContact CZ-CE2 3.7Å; F84-F88 WeakPolarHBondContact O-CD2 3.47Å; F84-L90 HydrophobicContact CD1-CD1 3.76Å; F84-L90 HydrophobicContact CE1-CD1 3.5Å; F84-A116 HydrophobicContact CZ-CB 4.11Å; F84-F119 HydrophobicContact CE1-CD1 4.17Å; F84-F119 HydrophobicContact CZ-CD1 4.16Å
85R97Very high96Very high84 Ų8448 Ų4832%0.31723%0.234SC..Hα-helixtrans-57.1-49174.9178.8-157.468.6-178.27.9112.3W81 R82 Y87 F88 P89 L90 A126 T127W81-R85 PolarHBondContact O-N 3.23Å; R82-R85 PolarHBondContact O-N 3.27Å; R85-Y87 PolarHBondContact O-N 3.37Å; R85-F88 PolarHBondContact O-N 3.13Å; R85-P89 CarbonylContact O-C 3.52Å; R85-P89 VanDerWaalsContact O-CA 3.29Å; R85-P89 WeakPolarHBondContact O-CA 3.48Å; R85-L90 HydrophobicContact CB-CB 4.29Å; R85-L90 HydrophobicContact CG-CB 3.74Å; R85-L90 WeakPolarHBondContact CG-O 3.48Å; R85-L90 PolarHBondContact O-N 3.37Å; R85-A126 HydrophobicContact CB-CB 3.9Å; R85-A126 VanDerWaalsContact CD-O 3.28Å; R85-A126 WeakPolarHBondContact CD-O 3.42Å; R85-A126 PolarHBondContact NH1-O 3.28Å; R85-T127 HydrophobicContact CG-CG2 4.1Å
86D97.1Very high95.6Very high38 Ų3850.6 Ų50.620%0.20325%0.25CC..Hα-helixtrans-69.7-14.2-178.5-72.811.3000113.5R13 Q17 R82 H83 F84 P89R13-D86 IonicContact CZ-OD2 2.57Å; R13-D86 IonicContact NE-OD2 2.85Å; R13-D86 IonicContact NH2-OD2 3.78Å; R13-D86 PolarHBondContact NH2-OD2 2.89Å; Q17-D86 HydrophobicContact CG-CB 4.25Å; Q17-D86 PolarHBondContact NE2-O 3.06Å; R82-D86 WeakPolarHBondContact O-CB 3.31Å; R82-D86 PolarHBondContact O-N 3.45Å; H83-D86 PolarHBondContact O-N 3.05Å; F84-D86 PolarHBondContact O-N 3.14Å; D86-P89 WeakPolarHBondContact O-CD 3.22Å
87Y96.4Very high95.3Very high2 Ų256.6 Ų56.61%0.00828%0.282CS..Hα-helixtrans-74.1-41.6174.6-179.4-84.5000112.1Q17 V21 H83 F84 R85 P89 R265 I275 P276 R278Q17-Y87 HydrophobicContact CB-CD2 3.94Å; V21-Y87 HydrophobicContact CB-CD2 4.36Å; V21-Y87 HydrophobicContact CB-CE2 4.38Å; V21-Y87 HydrophobicContact CB-CG 4.41Å; V21-Y87 HydrophobicContact CG1-CE1 4.3Å; V21-Y87 HydrophobicContact CG2-CD1 3.53Å; V21-Y87 HydrophobicContact CG2-CD2 3.72Å; V21-Y87 HydrophobicContact CG2-CE1 3.99Å; V21-Y87 HydrophobicContact CG2-CE2 4.16Å; V21-Y87 HydrophobicContact CG2-CG 3.38Å; H83-Y87 WeakPolarHBondContact O-CB 3.24Å; H83-Y87 PolarHBondContact O-N 3.27Å; F84-Y87 VanDerWaalsContact O-CB 3.31Å; F84-Y87 WeakPolarHBondContact O-CB 3.48Å; F84-Y87 PolarHBondContact O-N 3.06Å; R85-Y87 PolarHBondContact O-N 3.37Å; Y87-P89 WeakPolarHBondContact O-CD 3.36Å; Y87-R265 PolarHBondContact OH-NE 3.09Å; Y87-R265 PolarHBondContact OH-NH2 3.13Å; Y87-I275 WeakPolarHBondContact OH-CG2 3.34Å; Y87-P276 PolarHBondContact OH-O 3.47Å; Y87-R278 HydrophobicContact CD1-CG 4.05Å; Y87-R278 HydrophobicContact CD2-CG 4.03Å; Y87-R278 HydrophobicContact CE1-CB 4.4Å; Y87-R278 HydrophobicContact CE1-CG 3.57Å; Y87-R278 HydrophobicContact CE2-CG 3.53Å; Y87-R278 HydrophobicContact CG-CG 4.27Å
88F95.1Very high95Very high0 Ų052.1 Ų52.10%026%0.264CS..THydrogen-bonded Turntrans-103.612.5-177.7-65.6-72000113.8V21 F84 R85 L90 A116 L232 P276 K279 P280 V281V21-F88 HydrophobicContact CG1-CE2 4.44Å; V21-F88 HydrophobicContact CG1-CZ 4.25Å; V21-F88 HydrophobicContact CG2-CD2 4.41Å; V21-F88 HydrophobicContact CG2-CE2 3.72Å; V21-F88 HydrophobicContact CG2-CZ 4.25Å; F84-F88 HydrophobicContact CD2-CD2 4.49Å; F84-F88 HydrophobicContact CD2-CE2 4.03Å; F84-F88 HydrophobicContact CE1-CD2 4.29Å; F84-F88 HydrophobicContact CE1-CE2 4.32Å; F84-F88 HydrophobicContact CE2-CD2 4.22Å; F84-F88 AromaticContact CE2-CE2 3.53Å; F84-F88 HydrophobicContact CE2-CE2 3.53Å; F84-F88 HydrophobicContact CZ-CD2 4.12Å; F84-F88 AromaticContact CZ-CE2 3.7Å; F84-F88 HydrophobicContact CZ-CE2 3.7Å; F84-F88 WeakPolarHBondContact O-CD2 3.47Å; R85-F88 PolarHBondContact O-N 3.13Å; F88-L90 VanDerWaalsContact C-N 3.25Å; F88-L90 HydrophobicContact CB-CD2 4.45Å; F88-L90 HydrophobicContact CB-CG 3.93Å; F88-L90 PolarHBondContact O-N 3.36Å; F88-A116 HydrophobicContact CE2-CB 4.42Å; F88-A116 HydrophobicContact CZ-CB 4.3Å; F88-L232 HydrophobicContact CD1-CD1 4.17Å; F88-L232 HydrophobicContact CD1-CD2 3.64Å; F88-L232 HydrophobicContact CE1-CD1 3.8Å; F88-L232 HydrophobicContact CE1-CD2 3.69Å; F88-L232 HydrophobicContact CE1-CG 4.25Å; F88-L232 HydrophobicContact CZ-CD1 4.38Å; F88-P276 HydrophobicContact CE1-CB 3.81Å; F88-P276 HydrophobicContact CE1-CG 3.89Å; F88-P276 HydrophobicContact CZ-CB 3.94Å; F88-P276 HydrophobicContact CZ-CG 3.47Å; F88-P276 VanDerWaalsContact CZ-CG 3.47Å; F88-K279 CarbonylContact C-O 3.57Å; F88-K279 WeakPolarHBondContact CA-O 3.28Å; F88-P280 CarbonylContact O-C 3.51Å; F88-P280 WeakPolarHBondContact O-CA 3.44Å; F88-V281 PolarHBondContact O-N 3.03Å
89P95.5Very high94.9Very high75 Ų7551.9 Ų51.949%0.48727%0.268SS..THydrogen-bonded Turntrans26.959.8-158.1-26.97.9000115.6R85 D86 Y87 E91 P280R85-P89 CarbonylContact O-C 3.52Å; R85-P89 VanDerWaalsContact O-CA 3.29Å; R85-P89 WeakPolarHBondContact O-CA 3.48Å; D86-P89 WeakPolarHBondContact O-CD 3.22Å; Y87-P89 WeakPolarHBondContact O-CD 3.36Å; P89-E91 PolarHBondContact O-N 3.45Å; P89-P280 HydrophobicContact CB-CB 4.43Å
90L96.4Very high94.8Very high10 Ų1051.7 Ų51.75%0.05227%0.265CS..EExtended strand (participates in β ladder)trans-66.8130.5-176-79.5170.8000112.1F84 R85 F88 T127 V281F84-L90 HydrophobicContact CD1-CD1 3.76Å; F84-L90 HydrophobicContact CE1-CD1 3.5Å; R85-L90 HydrophobicContact CB-CB 4.29Å; R85-L90 HydrophobicContact CG-CB 3.74Å; R85-L90 WeakPolarHBondContact CG-O 3.48Å; R85-L90 PolarHBondContact O-N 3.37Å; F88-L90 VanDerWaalsContact C-N 3.25Å; F88-L90 HydrophobicContact CB-CD2 4.45Å; F88-L90 HydrophobicContact CB-CG 3.93Å; F88-L90 PolarHBondContact O-N 3.36Å; L90-T127 HydrophobicContact CB-CG2 3.93Å; L90-T127 WeakPolarHBondContact O-CG2 3.24Å; L90-V281 WeakPolarHBondContact CA-O 3.19Å; L90-V281 HydrophobicContact CD2-CB 3.55Å; L90-V281 HydrophobicContact CD2-CG1 3.58Å
91E95.9Very high94.8Very high97 Ų9754 Ų5445%0.45328%0.28SS..EExtended strand (participates in β ladder)trans-130.7132.4175.5-170178.8-171.300111.1P89 V93 V281 H282 T283P89-E91 PolarHBondContact O-N 3.45Å; E91-V93 HydrophobicContact CG-CG2 4Å; E91-V281 PolarHBondContact N-O 2.89Å; E91-H282 IonicContact OE2-CE1 3.98Å; E91-H282 PolarHBondContact OE2-CE1 3.21Å; E91-H282 VanDerWaalsContact OE2-CE1 3.28Å; E91-H282 IonicContact OE2-ND1 2.64Å; E91-H282 PolarHBondContact OE2-ND1 3.39Å; E91-T283 PolarHBondContact O-N 3.02Å
92L96.2Very high94.7Very high15 Ų1557 Ų578%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-109108.8170.5-179.560.4000108.7N121 F122 F129 L132 F133 T283L92-N121 HydrophobicContact CD1-CB 4.31Å; L92-N121 HydrophobicContact CD2-CB 4.25Å; L92-F122 HydrophobicContact CD1-CE1 4.34Å; L92-F122 HydrophobicContact CD1-CZ 4.26Å; L92-F122 HydrophobicContact CD2-CE1 4.46Å; L92-F129 HydrophobicContact CD2-CD2 3.82Å; L92-L132 HydrophobicContact CB-CD1 4.06Å; L92-L132 HydrophobicContact CD2-CD1 3.95Å; L92-L132 HydrophobicContact CG-CD1 3.98Å; L92-L132 WeakPolarHBondContact O-CD1 3.38Å; L92-F133 HydrophobicContact CD2-CE2 4.15Å; L92-T283 HydrophobicContact CD1-CG2 3.95Å
93V94.5Very high94.7Very high48 Ų4850.7 Ų50.729%0.29127%0.271SS..EExtended strand (participates in β ladder)trans-92.5114.2-179.5-176.30000109E91 T283 V284E91-V93 HydrophobicContact CG-CG2 4Å; V93-T283 PolarHBondContact N-O 2.81Å; V93-V284 HydrophobicContact CB-CG2 4.12Å; V93-V284 HydrophobicContact CG2-CG2 4.33Å
94K90.6Very high94.6Very high60 Ų6048.5 Ų48.526%0.26126%0.261SS..EExtended strand (participates in β ladder)trans-83.9122.1170.2174.7179.4176.3-172.40109.4V96 D97 L132 F133K94-V96 WeakPolarHBondContact CE-O 3.47Å; K94-V96 WeakPolarHBondContact CG-O 3.46Å; K94-D97 WeakPolarHBondContact CE-OD1 3.2Å; K94-D97 IonicContact NZ-OD1 2.81Å; K94-D97 PolarHBondContact NZ-OD1 3.47Å; K94-L132 HydrophobicContact CB-CD2 4.26Å; K94-L132 HydrophobicContact CD-CB 4.35Å; K94-L132 WeakPolarHBondContact CD-O 3.44Å; K94-L132 VanDerWaalsContact CE-O 3.31Å; K94-L132 WeakPolarHBondContact CE-O 3.31Å; K94-L132 PolarHBondContact NZ-O 2.99Å; K94-F133 HydrophobicContact CB-CE1 4.37Å; K94-F133 HydrophobicContact CB-CE2 4.49Å; K94-F133 HydrophobicContact CB-CZ 3.91Å; K94-F133 HydrophobicContact CD-CD1 4.3Å; K94-F133 HydrophobicContact CD-CE1 3.9Å; K94-F133 HydrophobicContact CD-CZ 4.21Å; K94-F133 HydrophobicContact CG-CE1 3.75Å; K94-F133 HydrophobicContact CG-CZ 3.8Å
95T89.4Confident94.6Very high68 Ų6848.5 Ų48.542%0.41726%0.261SS..  trans-98.1-25.217870.40000113.7V284 G285T95-V284 HydrophobicContact CG2-CG1 3.61Å; T95-G285 WeakPolarHBondContact CG2-O 3.43Å; T95-G285 PolarHBondContact OG1-O 2.87Å
96V87.8Confident94.6Very high68 Ų6844.7 Ų44.741%0.41225%0.247SC..SBendtrans-145.4150.4-177.5-168.60000109.7K94 F287K94-V96 WeakPolarHBondContact CE-O 3.47Å; K94-V96 WeakPolarHBondContact CG-O 3.46Å; V96-F287 HydrophobicContact CB-CB 4.21Å; V96-F287 HydrophobicContact CG2-CB 3.85Å
97D91Very high94.5Very high128 Ų12843.2 Ų43.268%0.68424%0.24SC*.  trans-67.2137.8166.5-68.6-52.7000111.5K94K94-D97 WeakPolarHBondContact CE-OD1 3.2Å; K94-D97 IonicContact NZ-OD1 2.81Å; K94-D97 PolarHBondContact NZ-OD1 3.47Å
98L92.3Very high94.5Very high23 Ų2343.1 Ų43.112%0.1224%0.24CC..  trans-112.4134.5177.3-61.4-177.9000108.7P100 Y104 F106 F133 L136 F287L98-P100 WeakPolarHBondContact O-CD 3.48Å; L98-Y104 HydrophobicContact CB-CE1 4.32Å; L98-Y104 HydrophobicContact CB-CE2 4.23Å; L98-Y104 HydrophobicContact CD1-CD1 4.45Å; L98-Y104 HydrophobicContact CD1-CE1 4.4Å; L98-Y104 HydrophobicContact CD2-CD1 4.49Å; L98-Y104 HydrophobicContact CD2-CE1 3.88Å; L98-Y104 HydrophobicContact CG-CE1 4.43Å; L98-F106 HydrophobicContact CD1-CE1 3.89Å; L98-F106 HydrophobicContact CD1-CZ 3.58Å; L98-F133 HydrophobicContact CB-CD1 4.35Å; L98-F133 HydrophobicContact CD1-CD1 3.77Å; L98-F133 HydrophobicContact CD1-CE1 3.67Å; L98-F133 HydrophobicContact CG-CD1 4.05Å; L98-F133 HydrophobicContact CG-CE1 3.95Å; L98-L136 HydrophobicContact CB-CD1 3.56Å; L98-L136 HydrophobicContact CD1-CD1 3.7Å; L98-L136 HydrophobicContact CG-CD1 4.27Å; L98-F287 HydrophobicContact CD2-CD2 3.72Å; L98-F287 HydrophobicContact CD2-CE2 3.85Å
99D94.1Very high94.4Very high72 Ų7244 Ų4439%0.38524%0.244SC..  trans-69.9116.2178.1179.9-4.4000110.5T101 Q102 Y104D99-T101 PolarHBondContact O-N 2.86Å; D99-T101 VanDerWaalsContact O-N 3.13Å; D99-T101 WeakPolarHBondContact OD1-CB 3.21Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.39Å; D99-T101 PolarHBondContact OD1-N 3.18Å; D99-T101 PolarHBondContact OD1-OG1 3.06Å; D99-T101 PolarHBondContact OD2-OG1 3.04Å; D99-Q102 HydrophobicContact CB-CG 4.07Å; D99-Q102 PolarHBondContact O-N 3.26Å; D99-Q102 VanDerWaalsContact O-N 3.13Å; D99-Y104 PolarHBondContact N-OH 3.35Å; D99-Y104 VanDerWaalsContact O-CE2 3.31Å; D99-Y104 WeakPolarHBondContact O-CE2 3.24Å; D99-Y104 PolarHBondContact O-OH 3.07Å; D99-Y104 VanDerWaalsContact O-OH 3.04Å
100P95.6Very high94.3Very high59 Ų5940.6 Ų40.638%0.38322%0.221SC..THydrogen-bonded Turntrans-67-11.3-179.329.5-35.7000113.9L98 Q102 L136 G178 G179L98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-Q102 VanDerWaalsContact C-N 3.28Å; P100-L136 HydrophobicContact CB-CD2 4.39Å; P100-G178 CarbonylContact O-C 3.55Å; P100-G179 WeakPolarHBondContact O-CA 3.32Å; P100-G179 PolarHBondContact O-N 2.95Å
101T95.8Very high94Very high80 Ų8041.8 Ų41.849%0.49123%0.227SC..THydrogen-bonded Turntrans-81.6-6.8175.373.20000113.2D99 G178D99-T101 PolarHBondContact O-N 2.86Å; D99-T101 VanDerWaalsContact O-N 3.13Å; D99-T101 WeakPolarHBondContact OD1-CB 3.21Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.39Å; D99-T101 PolarHBondContact OD1-N 3.18Å; D99-T101 PolarHBondContact OD1-OG1 3.06Å; D99-T101 PolarHBondContact OD2-OG1 3.04Å; T101-G178 WeakPolarHBondContact O-CA 3.44Å
102Q95.3Very high93.6Very high71 Ų7137.2 Ų37.233%0.33221%0.205SC..SBendtrans-105.3155179.7-59.4-62.6-38.600111.7D99 P100 Y104 G179 Q220D99-Q102 HydrophobicContact CB-CG 4.07Å; D99-Q102 PolarHBondContact O-N 3.26Å; D99-Q102 VanDerWaalsContact O-N 3.13Å; P100-Q102 VanDerWaalsContact C-N 3.28Å; Q102-Y104 HydrophobicContact CB-CE2 3.8Å; Q102-Y104 WeakPolarHBondContact O-CD2 3.27Å; Q102-Y104 VanDerWaalsContact O-CE2 3.31Å; Q102-Y104 WeakPolarHBondContact O-CE2 3.48Å; Q102-G179 PolarHBondContact O-N 3.21Å; Q102-Q220 HydrophobicContact CB-CG 4.5Å
103N96.7Very high93.1Very high14 Ų1437 Ų378%0.07521%0.205CC..  trans-98.5144.7169.6-66.3-48.3000110.3L173 R175 G178 G179 N180 A219 Q220N103-L173 HydrophobicContact CB-CD2 3.99Å; N103-L173 PolarHBondContact ND2-O 3.13Å; N103-R175 PolarHBondContact ND2-O 2.85Å; N103-G178 VanDerWaalsContact OD1-C 3.24Å; N103-G178 VanDerWaalsContact OD1-CA 3.29Å; N103-G178 WeakPolarHBondContact OD1-CA 3.29Å; N103-G179 PolarHBondContact OD1-N 3.31Å; N103-N180 WeakPolarHBondContact CA-O 3.38Å; N103-N180 WeakPolarHBondContact OD1-CB 3.44Å; N103-N180 PolarHBondContact OD1-N 3.36Å; N103-N180 VanDerWaalsContact OD1-N 3.13Å; N103-A219 HydrophobicContact CB-CB 4.36Å; N103-A219 CarbonylContact O-C 3.51Å; N103-A219 WeakPolarHBondContact O-CA 3.21Å; N103-A219 WeakPolarHBondContact O-CB 3.34Å; N103-Q220 PolarHBondContact O-N 3.41Å
104Y96.5Very high92.8Very high6 Ų635.1 Ų35.12%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-127147.3-174-61.2-91.8000111.8L98 D99 Q102 F106 L136 N180 V181 A182 Q220 V222 F287L98-Y104 HydrophobicContact CB-CE1 4.32Å; L98-Y104 HydrophobicContact CB-CE2 4.23Å; L98-Y104 HydrophobicContact CD1-CD1 4.45Å; L98-Y104 HydrophobicContact CD1-CE1 4.4Å; L98-Y104 HydrophobicContact CD2-CD1 4.49Å; L98-Y104 HydrophobicContact CD2-CE1 3.88Å; L98-Y104 HydrophobicContact CG-CE1 4.43Å; D99-Y104 PolarHBondContact N-OH 3.35Å; D99-Y104 VanDerWaalsContact O-CE2 3.31Å; D99-Y104 WeakPolarHBondContact O-CE2 3.24Å; D99-Y104 PolarHBondContact O-OH 3.07Å; D99-Y104 VanDerWaalsContact O-OH 3.04Å; Q102-Y104 HydrophobicContact CB-CE2 3.8Å; Q102-Y104 WeakPolarHBondContact O-CD2 3.27Å; Q102-Y104 VanDerWaalsContact O-CE2 3.31Å; Q102-Y104 WeakPolarHBondContact O-CE2 3.48Å; Y104-F106 HydrophobicContact CD1-CE1 4.48Å; Y104-F106 HydrophobicContact CG-CE1 4.26Å; Y104-L136 HydrophobicContact CD2-CD1 4.31Å; Y104-L136 HydrophobicContact CD2-CD2 4.15Å; Y104-L136 HydrophobicContact CE2-CD1 4.22Å; Y104-L136 HydrophobicContact CE2-CD2 3.97Å; Y104-N180 PolarHBondContact N-O 3.27Å; Y104-V181 HydrophobicContact CD2-CG2 4.22Å; Y104-V181 WeakPolarHBondContact O-CA 3.41Å; Y104-A182 PolarHBondContact O-N 3Å; Y104-Q220 CarbonylContact C-O 3.51Å; Y104-Q220 VanDerWaalsContact CA-O 3.3Å; Y104-Q220 WeakPolarHBondContact CA-O 3.35Å; Y104-Q220 HydrophobicContact CD1-CB 3.51Å; Y104-Q220 HydrophobicContact CD1-CG 4.33Å; Y104-Q220 HydrophobicContact CE1-CB 3.59Å; Y104-Q220 HydrophobicContact CE1-CG 3.97Å; Y104-Q220 HydrophobicContact CG-CB 4.44Å; Y104-V222 HydrophobicContact CD1-CG2 3.83Å; Y104-F287 HydrophobicContact CE1-CE2 4.1Å
105I97.3Very high92.8Very high0 Ų033 Ų330%019%0.185CC..EExtended strand (participates in β ladder)trans-112.7118.7160.9-50.6-179.4000108.4L169 L173 A182 I184 F210 M213 A214 A219 Q220 L221 V222I105-L169 HydrophobicContact CD1-CD1 4.28Å; I105-L169 HydrophobicContact CD1-CD2 4.39Å; I105-L169 HydrophobicContact CG1-CD1 4.39Å; I105-L173 HydrophobicContact CD1-CD1 3.59Å; I105-L173 HydrophobicContact CG1-CD1 3.81Å; I105-L173 HydrophobicContact CG1-CD2 3.93Å; I105-L173 HydrophobicContact CG1-CG 4.48Å; I105-A182 CarbonylContact C-O 3.45Å; I105-A182 VanDerWaalsContact CA-O 3.29Å; I105-A182 WeakPolarHBondContact CA-O 3.31Å; I105-I184 HydrophobicContact CG2-CD1 3.66Å; I105-I184 HydrophobicContact CG2-CG1 4.06Å; I105-F210 WeakPolarHBondContact CD1-O 3.35Å; I105-F210 HydrophobicContact CG2-CB 4.44Å; I105-F210 HydrophobicContact CG2-CD2 4.19Å; I105-M213 HydrophobicContact CD1-CB 4.42Å; I105-A214 HydrophobicContact CD1-CB 3.79Å; I105-A219 HydrophobicContact CG1-CB 4.45Å; I105-Q220 PolarHBondContact N-O 3.03Å; I105-L221 HydrophobicContact CB-CD2 3.82Å; I105-L221 HydrophobicContact CD1-CD2 4.17Å; I105-L221 HydrophobicContact CG1-CD2 4.36Å; I105-L221 HydrophobicContact CG2-CD2 4.4Å; I105-V222 PolarHBondContact O-N 2.82Å
106F96.8Very high93Very high5 Ų529.8 Ų29.82%0.02217%0.165CC..EExtended strand (participates in β ladder)trans-91.1111.2173.4-7719.4000108.6L98 Y104 F108 F122 F129 V181 A182 V183 I184 V222 V224L98-F106 HydrophobicContact CD1-CE1 3.89Å; L98-F106 HydrophobicContact CD1-CZ 3.58Å; Y104-F106 HydrophobicContact CD1-CE1 4.48Å; Y104-F106 HydrophobicContact CG-CE1 4.26Å; F106-F108 PolarHBondContact O-N 2.56Å; F106-F122 AromaticContact CD2-CE1 3.86Å; F106-F122 HydrophobicContact CD2-CE1 3.86Å; F106-F122 HydrophobicContact CD2-CZ 4.19Å; F106-F122 HydrophobicContact CE2-CE1 4.07Å; F106-F129 HydrophobicContact CE2-CE2 4.37Å; F106-V181 HydrophobicContact CB-CG1 4.27Å; F106-V181 HydrophobicContact CD1-CG1 3.4Å; F106-V181 HydrophobicContact CD2-CG1 3.63Å; F106-V181 HydrophobicContact CE1-CG1 3.48Å; F106-V181 VanDerWaalsContact CE1-CG1 3.48Å; F106-V181 HydrophobicContact CE1-CG2 4.47Å; F106-V181 HydrophobicContact CE2-CG1 3.72Å; F106-V181 HydrophobicContact CG-CG1 3.49Å; F106-V181 VanDerWaalsContact CG-CG1 3.49Å; F106-V181 HydrophobicContact CZ-CG1 3.64Å; F106-V181 HydrophobicContact CZ-CG2 4.48Å; F106-A182 PolarHBondContact N-O 3.42Å; F106-V183 HydrophobicContact CB-CB 4.35Å; F106-V183 HydrophobicContact CB-CG1 4.18Å; F106-V183 HydrophobicContact CB-CG2 4.09Å; F106-V183 HydrophobicContact CD2-CG2 4.35Å; F106-I184 PolarHBondContact O-N 2.64Å; F106-V222 CarbonylContact C-O 3.59Å; F106-V222 VanDerWaalsContact CA-O 3.32Å; F106-V222 WeakPolarHBondContact CA-O 3.32Å; F106-V222 HydrophobicContact CD1-CB 3.52Å; F106-V222 HydrophobicContact CD1-CG1 4.19Å; F106-V222 HydrophobicContact CD1-CG2 3.81Å; F106-V222 HydrophobicContact CE1-CB 3.67Å; F106-V222 HydrophobicContact CE1-CG1 4.09Å; F106-V222 HydrophobicContact CE1-CG2 3.55Å; F106-V222 HydrophobicContact CG-CB 4.3Å; F106-V224 HydrophobicContact CB-CG2 3.82Å; F106-V224 HydrophobicContact CD2-CG2 3.71Å; F106-V224 HydrophobicContact CE2-CG2 4.44Å; F106-V224 HydrophobicContact CG-CG2 3.83Å
107G95.6Very high93.4Very high6 Ų626.5 Ų26.56%0.06215%0.146CC..EExtended strand (participates in β ladder)trans-83.591.5174.300000110.1V222 V224G107-V222 PolarHBondContact N-O 3.28Å; G107-V224 PolarHBondContact O-N 3.38Å; G107-V224 VanDerWaalsContact O-O 3.08Å
108F95.8Very high93.6Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-82132.5-176.1-178.1-89.2000112.1F106 P110 V115 A118 F122 V183 I184 A185 V186 V224 E229 T283F106-F108 PolarHBondContact O-N 2.56Å; F108-P110 WeakPolarHBondContact CE1-O 3.25Å; F108-V115 HydrophobicContact CD1-CG1 3.9Å; F108-V115 HydrophobicContact CE1-CG1 3.43Å; F108-V115 VanDerWaalsContact CE1-CG1 3.43Å; F108-V115 HydrophobicContact CZ-CG1 4.23Å; F108-A118 HydrophobicContact CD1-CB 3.99Å; F108-A118 HydrophobicContact CD2-CB 4.07Å; F108-A118 HydrophobicContact CE1-CB 3.76Å; F108-A118 HydrophobicContact CE2-CB 3.83Å; F108-A118 HydrophobicContact CG-CB 4.14Å; F108-A118 HydrophobicContact CZ-CB 3.67Å; F108-F122 AromaticContact CD2-CE2 3.76Å; F108-F122 HydrophobicContact CD2-CE2 3.76Å; F108-F122 HydrophobicContact CE2-CE2 4.08Å; F108-V183 HydrophobicContact CB-CG1 4.02Å; F108-I184 PolarHBondContact N-O 2.95Å; F108-A185 HydrophobicContact CD1-CB 4.31Å; F108-A185 WeakPolarHBondContact O-CA 3.44Å; F108-V186 PolarHBondContact O-N 3.21Å; F108-V224 CarbonylContact C-O 3.58Å; F108-V224 WeakPolarHBondContact CA-O 3.39Å; F108-V224 HydrophobicContact CD2-CB 4.42Å; F108-V224 HydrophobicContact CD2-CG1 3.78Å; F108-V224 HydrophobicContact CE2-CG1 4.43Å; F108-E229 HydrophobicContact CZ-CG 4.28Å; F108-T283 HydrophobicContact CD2-CG2 4.44Å; F108-T283 HydrophobicContact CE2-CG2 4Å
109H93.5Very high93.8Very high19 Ų1920.7 Ų20.79%0.08811%0.113CC..EExtended strand (participates in β ladder)trans-145.7157.2175.2-73.9-76.5000112.4V186 E191 L202 V204 V224 F225 S226H109-V186 VanDerWaalsContact CE1-CB 3.43Å; H109-V186 WeakPolarHBondContact CE1-CB 3.46Å; H109-V186 VanDerWaalsContact NE2-CB 3.29Å; H109-V186 WeakPolarHBondContact NE2-CB 3.29Å; H109-E191 IonicContact CE1-OE1 2.7Å; H109-E191 IonicContact CE1-OE2 2.93Å; H109-E191 IonicContact ND1-OE1 3.96Å; H109-E191 PolarHBondContact ND1-OE1 3.41Å; H109-E191 VanDerWaalsContact ND1-OE1 3.08Å; H109-E191 IonicContact ND1-OE2 3.54Å; H109-E191 PolarHBondContact ND1-OE2 3.08Å; H109-E191 VanDerWaalsContact ND1-OE2 3.17Å; H109-L202 HydrophobicContact CB-CD1 4.44Å; H109-L202 HydrophobicContact CB-CD2 3.96Å; H109-V204 WeakPolarHBondContact CE1-CG2 3.43Å; H109-V204 WeakPolarHBondContact NE2-CG2 3.4Å; H109-V224 PolarHBondContact N-O 3.27Å; H109-F225 HydrophobicContact CB-CD2 4.27Å; H109-F225 CarbonylContact O-C 3.25Å; H109-F225 VanDerWaalsContact O-CA 3.24Å; H109-F225 WeakPolarHBondContact O-CA 3.06Å; H109-S226 PolarHBondContact O-N 3.12Å
110P93.2Very high93.9Very high3 Ų317.3 Ų17.32%0.01910%0.095CC..  cis-69.9158.1-19.332.8-33.5000110.1F108 G112 L200 L202 S226 E229F108-P110 WeakPolarHBondContact CE1-O 3.25Å; P110-G112 PolarHBondContact O-N 3.21Å; P110-L200 HydrophobicContact CB-CD1 4.31Å; P110-L200 HydrophobicContact CG-CD1 4.2Å; P110-L202 HydrophobicContact CB-CD2 3.99Å; P110-S226 VanDerWaalsContact CD-O 3.28Å; P110-S226 WeakPolarHBondContact CD-O 3.15Å; P110-E229 HydrophobicContact CG-CB 3.9Å
111H90.1Very high94Very high36 Ų3614.5 Ų14.517%0.1678%0.077CC..  trans-58.4-37.3174.3-172.4-70.1000111.6V115 A185 G188 E191H111-V115 WeakPolarHBondContact CE1-CG2 3.5Å; H111-V115 WeakPolarHBondContact ND1-CG2 3.3Å; H111-V115 WeakPolarHBondContact O-CA 3.47Å; H111-V115 WeakPolarHBondContact O-CB 3.22Å; H111-V115 VanDerWaalsContact O-CG1 3.32Å; H111-V115 WeakPolarHBondContact O-CG1 3.23Å; H111-V115 VanDerWaalsContact O-CG2 3.24Å; H111-V115 WeakPolarHBondContact O-CG2 3.45Å; H111-A185 HydrophobicContact CB-CB 4.33Å; H111-A185 WeakPolarHBondContact CD2-CB 3.1Å; H111-G188 VanDerWaalsContact CD2-CA 3.44Å; H111-G188 WeakPolarHBondContact CD2-CA 3.21Å; H111-E191 HydrophobicContact CB-CB 4.15Å; H111-E191 HydrophobicContact CB-CG 4.23Å; H111-E191 WeakPolarHBondContact CB-OE2 3.35Å; H111-E191 PolarHBondContact N-OE2 3.46Å
112G86.7Confident94.1Very high0 Ų010.7 Ų10.70%05%0.054CC..THydrogen-bonded Turntrans61-173-171.800000112.1P110 A192P110-G112 PolarHBondContact O-N 3.21Å; G112-A192 WeakPolarHBondContact O-CA 3.39Å; G112-A192 VanDerWaalsContact O-CB 3.31Å; G112-A192 WeakPolarHBondContact O-CB 3.41Å
113V86.1Confident94.2Very high12 Ų127.4 Ų7.47%0.0734%0.039CC..THydrogen-bonded Turntrans-74.7-54.5-178.2-179.90000111.4A195 F233 Q235 P260 F262V113-A195 HydrophobicContact CG2-CB 4.24Å; V113-F233 HydrophobicContact CB-CB 4.36Å; V113-F233 HydrophobicContact CB-CD2 3.67Å; V113-F233 HydrophobicContact CB-CE2 4.2Å; V113-F233 HydrophobicContact CB-CG 4.15Å; V113-F233 HydrophobicContact CG1-CD2 4.26Å; V113-F233 HydrophobicContact CG1-CG 4.43Å; V113-F233 HydrophobicContact CG2-CB 3.84Å; V113-F233 HydrophobicContact CG2-CD2 4.02Å; V113-F233 HydrophobicContact CG2-CG 4.19Å; V113-Q235 HydrophobicContact CG2-CG 4.29Å; V113-P260 HydrophobicContact CG1-CG 3.97Å; V113-F262 HydrophobicContact CG1-CB 4.07Å; V113-F262 HydrophobicContact CG1-CD1 3.31Å; V113-F262 HydrophobicContact CG1-CD2 4.13Å; V113-F262 HydrophobicContact CG1-CE1 3.63Å; V113-F262 HydrophobicContact CG1-CE2 4.39Å; V113-F262 HydrophobicContact CG1-CG 3.58Å; V113-F262 HydrophobicContact CG1-CZ 4.16Å; V113-F262 HydrophobicContact CG2-CB 4.48Å
114L87.8Confident94.2Very high7 Ų76.8 Ų6.84%0.0374%0.035CC..THydrogen-bonded Turntrans-117.35.2-176.4-58.8-171.1000113.5W24 V25 F28 L29 A116 F233 F262W24-L114 HydrophobicContact CH2-CB 3.41Å; W24-L114 VanDerWaalsContact CH2-CB 3.41Å; W24-L114 HydrophobicContact CH2-CD1 4.08Å; W24-L114 HydrophobicContact CH2-CG 4.41Å; W24-L114 HydrophobicContact CZ2-CB 4.17Å; W24-L114 WeakPolarHBondContact CZ2-O 3.4Å; W24-L114 HydrophobicContact CZ3-CB 4.08Å; W24-L114 HydrophobicContact CZ3-CD1 3.92Å; V25-L114 HydrophobicContact CG2-CD1 4.49Å; F28-L114 HydrophobicContact CD1-CD2 3.59Å; F28-L114 HydrophobicContact CE1-CD2 3.49Å; F28-L114 VanDerWaalsContact CE1-CD2 3.49Å; F28-L114 HydrophobicContact CG-CD2 4.33Å; F28-L114 HydrophobicContact CZ-CD2 4.15Å; L29-L114 HydrophobicContact CD2-CD2 4.42Å; L114-A116 VanDerWaalsContact C-N 3.33Å; L114-A116 PolarHBondContact O-N 2.86Å; L114-F233 HydrophobicContact CB-CE2 4.12Å; L114-F233 HydrophobicContact CB-CZ 4.37Å; L114-F233 HydrophobicContact CD1-CE1 4.32Å; L114-F233 HydrophobicContact CD1-CE2 4.11Å; L114-F233 HydrophobicContact CD1-CZ 3.53Å; L114-F233 HydrophobicContact CG-CE2 3.92Å; L114-F233 HydrophobicContact CG-CZ 3.84Å; L114-F262 HydrophobicContact CD1-CZ 4.34Å; L114-F262 HydrophobicContact CD2-CE1 4.32Å; L114-F262 HydrophobicContact CD2-CZ 4.09Å; L114-F262 HydrophobicContact CG-CZ 4.4Å
115V91.1Very high94.2Very high15 Ų157.8 Ų7.89%0.0914%0.04CC..  trans54.143.9176.5-142.80000113.3F108 H111 G117 A118 F119 A185F108-V115 HydrophobicContact CD1-CG1 3.9Å; F108-V115 HydrophobicContact CE1-CG1 3.43Å; F108-V115 VanDerWaalsContact CE1-CG1 3.43Å; F108-V115 HydrophobicContact CZ-CG1 4.23Å; H111-V115 WeakPolarHBondContact CE1-CG2 3.5Å; H111-V115 WeakPolarHBondContact ND1-CG2 3.3Å; H111-V115 WeakPolarHBondContact O-CA 3.47Å; H111-V115 WeakPolarHBondContact O-CB 3.22Å; H111-V115 VanDerWaalsContact O-CG1 3.32Å; H111-V115 WeakPolarHBondContact O-CG1 3.23Å; H111-V115 VanDerWaalsContact O-CG2 3.24Å; H111-V115 WeakPolarHBondContact O-CG2 3.45Å; V115-G117 VanDerWaalsContact C-N 3.31Å; V115-G117 PolarHBondContact O-N 3.04Å; V115-A118 HydrophobicContact CB-CB 4.25Å; V115-A118 HydrophobicContact CG1-CB 3.35Å; V115-A118 PolarHBondContact O-N 2.84Å; V115-F119 PolarHBondContact O-N 3.45Å; V115-A185 HydrophobicContact CG1-CB 4.47Å
116A95Very high94.2Very high1 Ų18.1 Ų8.11%0.0084%0.043CC..Hα-helixtrans-59.9-39.9-169.900000113.1W24 F84 F88 L114 G120 E229 L232W24-A116 HydrophobicContact CH2-CB 3.53Å; W24-A116 HydrophobicContact CZ2-CB 4.06Å; W24-A116 HydrophobicContact CZ3-CB 4.15Å; F84-A116 HydrophobicContact CZ-CB 4.11Å; F88-A116 HydrophobicContact CE2-CB 4.42Å; F88-A116 HydrophobicContact CZ-CB 4.3Å; L114-A116 VanDerWaalsContact C-N 3.33Å; L114-A116 PolarHBondContact O-N 2.86Å; A116-G120 PolarHBondContact O-N 3.1Å; A116-E229 PolarHBondContact N-OE1 2.97Å; A116-E229 PolarHBondContact N-OE2 3.4Å; A116-L232 HydrophobicContact CB-CD1 3.55Å
117G94.9Very high94.1Very high0 Ų09 Ų90%05%0.048CC..Hα-helixtrans-65-45175.300000112.4V115 F119 G120 N121 E229V115-G117 VanDerWaalsContact C-N 3.31Å; V115-G117 PolarHBondContact O-N 3.04Å; G117-F119 PolarHBondContact O-N 3.14Å; G117-G120 PolarHBondContact O-N 2.65Å; G117-N121 WeakPolarHBondContact O-CB 3.47Å; G117-N121 VanDerWaalsContact O-CG 3.29Å; G117-N121 PolarHBondContact O-N 2.73Å; G117-N121 PolarHBondContact O-ND2 3.42Å; G117-N121 VanDerWaalsContact O-ND2 3.16Å; G117-E229 VanDerWaalsContact CA-OE1 3.26Å; G117-E229 WeakPolarHBondContact CA-OE1 3.5Å; G117-E229 PolarHBondContact N-OE1 2.84Å
118A95.8Very high94.2Very high0 Ų09.2 Ų9.20%05%0.051CC..Hα-helixtrans-63.3-43.9175.500000111.6F108 V115 F122 L140F108-A118 HydrophobicContact CD1-CB 3.99Å; F108-A118 HydrophobicContact CD2-CB 4.07Å; F108-A118 HydrophobicContact CE1-CB 3.76Å; F108-A118 HydrophobicContact CE2-CB 3.83Å; F108-A118 HydrophobicContact CG-CB 4.14Å; F108-A118 HydrophobicContact CZ-CB 3.67Å; V115-A118 HydrophobicContact CB-CB 4.25Å; V115-A118 HydrophobicContact CG1-CB 3.35Å; V115-A118 PolarHBondContact O-N 2.84Å; A118-F122 HydrophobicContact CB-CD2 4.08Å; A118-F122 HydrophobicContact CB-CE2 4.48Å; A118-F122 WeakPolarHBondContact O-CB 3.35Å; A118-F122 VanDerWaalsContact O-CD2 3.24Å; A118-F122 WeakPolarHBondContact O-CD2 3.35Å; A118-F122 PolarHBondContact O-N 3.31Å; A118-L140 HydrophobicContact CB-CD1 4.13Å; A118-L140 HydrophobicContact CB-CD2 4.3Å
119F96.6Very high94.2Very high29 Ų299.2 Ų9.213%0.1275%0.051CC..Iπ-helixtrans-59.8-52.7176.1175.3-92.1000111.1W24 W81 F84 V115 G117 N121 C123 T124W24-F119 AromaticContact CD1-CD1 3.54Å; W24-F119 AromaticContact CD1-CE1 3.31Å; W24-F119 AromaticContact CD1-CZ 3.71Å; W24-F119 HydrophobicContact CG-CE1 4.44Å; W24-F119 HydrophobicContact CZ2-CB 4.38Å; W24-F119 AromaticContact NE1-CD1 3.12Å; W24-F119 AromaticContact NE1-CD2 3.77Å; W24-F119 AromaticContact NE1-CE1 3.42Å; W24-F119 AromaticContact NE1-CG 3.32Å; W24-F119 VanDerWaalsContact NE1-CG 3.32Å; W24-F119 AromaticContact NE1-CZ 3.86Å; W81-F119 AromaticContact CE3-CE1 3.94Å; W81-F119 HydrophobicContact CE3-CE1 3.94Å; W81-F119 HydrophobicContact CE3-CZ 4.38Å; W81-F119 HydrophobicContact CH2-CE1 4.19Å; W81-F119 AromaticContact CH2-CZ 3.87Å; W81-F119 HydrophobicContact CH2-CZ 3.87Å; W81-F119 HydrophobicContact CZ2-CZ 4.29Å; W81-F119 AromaticContact CZ3-CE1 3.74Å; W81-F119 HydrophobicContact CZ3-CE1 3.74Å; W81-F119 AromaticContact CZ3-CZ 3.91Å; W81-F119 HydrophobicContact CZ3-CZ 3.91Å; F84-F119 HydrophobicContact CE1-CD1 4.17Å; F84-F119 HydrophobicContact CZ-CD1 4.16Å; V115-F119 PolarHBondContact O-N 3.45Å; G117-F119 PolarHBondContact O-N 3.14Å; F119-N121 VanDerWaalsContact C-N 3.32Å; F119-N121 PolarHBondContact O-N 2.88Å; F119-C123 HydrophobicContact CD2-CB 3.71Å; F119-C123 HydrophobicContact CE2-CB 3.87Å; F119-C123 HydrophobicContact CG-CB 4.29Å; F119-C123 WeakPolarHBondContact O-CA 3.35Å; F119-C123 WeakPolarHBondContact O-CB 3.28Å; F119-C123 PolarHBondContact O-N 2.82Å; F119-T124 HydrophobicContact CD1-CG2 4.22Å; F119-T124 HydrophobicContact CE1-CG2 3.65Å; F119-T124 HydrophobicContact CZ-CG2 3.97Å; F119-T124 PolarHBondContact O-N 3.12Å
120G96.9Very high94.3Very high0 Ų010.2 Ų10.20%06%0.061CC..Iπ-helixtrans-59.5-42.4-178.700000112.7A116 G117 T124A116-G120 PolarHBondContact O-N 3.1Å; G117-G120 PolarHBondContact O-N 2.65Å; G120-T124 PolarHBondContact O-OG1 3.03Å
121N97.1Very high94.4Very high0 Ų020.6 Ų20.60%010%0.099CC..Iπ-helixtrans-81.1-34.5-175.2-71.4-32.6000114.6L92 G117 F119 T127 T283L92-N121 HydrophobicContact CD1-CB 4.31Å; L92-N121 HydrophobicContact CD2-CB 4.25Å; G117-N121 WeakPolarHBondContact O-CB 3.47Å; G117-N121 VanDerWaalsContact O-CG 3.29Å; G117-N121 PolarHBondContact O-N 2.73Å; G117-N121 PolarHBondContact O-ND2 3.42Å; G117-N121 VanDerWaalsContact O-ND2 3.16Å; F119-N121 VanDerWaalsContact C-N 3.32Å; F119-N121 PolarHBondContact O-N 2.88Å; N121-T127 WeakPolarHBondContact OD1-CB 3.29Å; N121-T127 WeakPolarHBondContact OD1-CG2 3.43Å; N121-T127 PolarHBondContact OD1-OG1 3.17Å; N121-T283 WeakPolarHBondContact ND2-CB 3.49Å; N121-T283 PolarHBondContact ND2-OG1 3.3Å
122F97.1Very high94.6Very high1 Ų121.3 Ų21.30%0.00410%0.104CC..Iπ-helixtrans-113.4-24.4-170.5-54.2-61.5000113.5L92 F106 F108 A118 F129 S138 V183 V224 T283L92-F122 HydrophobicContact CD1-CE1 4.34Å; L92-F122 HydrophobicContact CD1-CZ 4.26Å; L92-F122 HydrophobicContact CD2-CE1 4.46Å; F106-F122 AromaticContact CD2-CE1 3.86Å; F106-F122 HydrophobicContact CD2-CE1 3.86Å; F106-F122 HydrophobicContact CD2-CZ 4.19Å; F106-F122 HydrophobicContact CE2-CE1 4.07Å; F108-F122 AromaticContact CD2-CE2 3.76Å; F108-F122 HydrophobicContact CD2-CE2 3.76Å; F108-F122 HydrophobicContact CE2-CE2 4.08Å; A118-F122 HydrophobicContact CB-CD2 4.08Å; A118-F122 HydrophobicContact CB-CE2 4.48Å; A118-F122 WeakPolarHBondContact O-CB 3.35Å; A118-F122 VanDerWaalsContact O-CD2 3.24Å; A118-F122 WeakPolarHBondContact O-CD2 3.35Å; A118-F122 PolarHBondContact O-N 3.31Å; F122-F129 AromaticContact CD1-CD2 3.8Å; F122-F129 HydrophobicContact CD1-CD2 3.8Å; F122-F129 AromaticContact CD1-CE2 3.68Å; F122-F129 HydrophobicContact CD1-CE2 3.68Å; F122-F129 HydrophobicContact CE1-CD2 4.13Å; F122-F129 AromaticContact CE1-CE2 3.89Å; F122-F129 HydrophobicContact CE1-CE2 3.89Å; F122-S138 WeakPolarHBondContact O-CB 3.36Å; F122-S138 PolarHBondContact O-OG 3.05Å; F122-V183 HydrophobicContact CB-CG2 3.99Å; F122-V183 HydrophobicContact CD1-CG2 3.96Å; F122-V183 HydrophobicContact CD2-CB 4.41Å; F122-V183 HydrophobicContact CD2-CG1 3.69Å; F122-V183 HydrophobicContact CD2-CG2 4.15Å; F122-V183 HydrophobicContact CE2-CG1 3.97Å; F122-V183 HydrophobicContact CG-CB 4.44Å; F122-V183 HydrophobicContact CG-CG1 4.18Å; F122-V183 HydrophobicContact CG-CG2 3.75Å; F122-V224 HydrophobicContact CE2-CG1 4.48Å; F122-V224 HydrophobicContact CZ-CG1 4.08Å; F122-T283 HydrophobicContact CE2-CG2 4.48Å; F122-T283 HydrophobicContact CZ-CG2 4.24Å
123C97.2Very high95Very high2 Ų222.1 Ų22.11%0.01411%0.107CC..Iπ-helixtrans-95.2-17.4177-57.20000113.2R76 F119 L140 G159 L161R76-C123 VanDerWaalsContact CG-O 3.22Å; R76-C123 WeakPolarHBondContact CG-O 3.45Å; R76-C123 PolarHBondContact NE-O 2.87Å; F119-C123 HydrophobicContact CD2-CB 3.71Å; F119-C123 HydrophobicContact CE2-CB 3.87Å; F119-C123 HydrophobicContact CG-CB 4.29Å; F119-C123 WeakPolarHBondContact O-CA 3.35Å; F119-C123 WeakPolarHBondContact O-CB 3.28Å; F119-C123 PolarHBondContact O-N 2.82Å; C123-L140 VanDerWaalsContact SG-CB 3.51Å; C123-L140 WeakPolarHBondContact SG-CD2 3.41Å; C123-G159 CarbonylContact C-O 3.51Å; C123-G159 WeakPolarHBondContact CA-O 3.26Å; C123-G159 WeakPolarHBondContact CB-O 3.46Å; C123-L161 HydrophobicContact CB-CD1 4.13Å
124T97.3Very high95.5Very high1 Ų125.6 Ų25.61%0.00613%0.13CC..SBendtrans-122.5171.4-179.286.30000111.7W81 F119 G120 A126W81-T124 HydrophobicContact CB-CG2 4.14Å; W81-T124 HydrophobicContact CD2-CG2 3.72Å; W81-T124 HydrophobicContact CE3-CG2 4.21Å; W81-T124 HydrophobicContact CG-CG2 3.67Å; F119-T124 HydrophobicContact CD1-CG2 4.22Å; F119-T124 HydrophobicContact CE1-CG2 3.65Å; F119-T124 HydrophobicContact CZ-CG2 3.97Å; F119-T124 PolarHBondContact O-N 3.12Å; G120-T124 PolarHBondContact O-OG1 3.03Å; T124-A126 VanDerWaalsContact OG1-CB 3.29Å; T124-A126 WeakPolarHBondContact OG1-CB 3.43Å; T124-A126 PolarHBondContact OG1-N 3.31Å; T124-A126 VanDerWaalsContact OG1-N 3.12Å
125E97.1Very high95.9Very high26 Ų2627.9 Ų27.912%0.12116%0.156CC..SBendtrans-98.414.5170.6-69.3-59.1142.600112.5R76 K77 T127 G128 S130R76-E125 HydrophobicContact CB-CG 4.16Å; R76-E125 IonicContact CZ-OE1 2.63Å; R76-E125 IonicContact NH1-OE1 3.71Å; R76-E125 PolarHBondContact NH1-OE1 2.99Å; R76-E125 IonicContact NH2-OE1 3.78Å; R76-E125 PolarHBondContact NH2-OE1 3.4Å; R76-E125 PolarHBondContact O-N 3.38Å; K77-E125 HydrophobicContact CG-CB 3.91Å; K77-E125 HydrophobicContact CG-CG 3.96Å; E125-T127 VanDerWaalsContact C-N 3.33Å; E125-T127 PolarHBondContact O-N 3.32Å; E125-G128 PolarHBondContact O-N 3.25Å; E125-S130 PolarHBondContact OE1-OG 3Å; E125-S130 VanDerWaalsContact OE1-OG 3.14Å; E125-S130 PolarHBondContact OE2-N 2.91Å
126A96.1Very high96.1Very high8 Ų827.3 Ų27.37%0.06615%0.152CC..THydrogen-bonded Turntrans-62.7-38.8-174.600000113.2W81 R85 T124W81-A126 HydrophobicContact CB-CB 3.9Å; W81-A126 VanDerWaalsContact O-CB 3.24Å; W81-A126 WeakPolarHBondContact O-CB 3.32Å; R85-A126 HydrophobicContact CB-CB 3.9Å; R85-A126 VanDerWaalsContact CD-O 3.28Å; R85-A126 WeakPolarHBondContact CD-O 3.42Å; R85-A126 PolarHBondContact NH1-O 3.28Å; T124-A126 VanDerWaalsContact OG1-CB 3.29Å; T124-A126 WeakPolarHBondContact OG1-CB 3.43Å; T124-A126 PolarHBondContact OG1-N 3.31Å; T124-A126 VanDerWaalsContact OG1-N 3.12Å
127T96.3Very high96.2Very high22 Ų2231.6 Ų31.614%0.13517%0.168CC..THydrogen-bonded Turntrans-956.3174.555.40000113.2R85 L90 N121 E125R85-T127 HydrophobicContact CG-CG2 4.1Å; L90-T127 HydrophobicContact CB-CG2 3.93Å; L90-T127 WeakPolarHBondContact O-CG2 3.24Å; N121-T127 WeakPolarHBondContact OD1-CB 3.29Å; N121-T127 WeakPolarHBondContact OD1-CG2 3.43Å; N121-T127 PolarHBondContact OD1-OG1 3.17Å; E125-T127 VanDerWaalsContact C-N 3.33Å; E125-T127 PolarHBondContact O-N 3.32Å
128G95.6Very high96.3Very high12 Ų1231.6 Ų31.612%0.12417%0.168CC..  trans72.637.6172.700000114.5E125 S130 R131 L132E125-G128 PolarHBondContact O-N 3.25Å; G128-S130 VanDerWaalsContact C-N 3.3Å; G128-S130 PolarHBondContact O-N 2.82Å; G128-R131 WeakPolarHBondContact O-CA 3.12Å; G128-R131 WeakPolarHBondContact O-CB 3.1Å; G128-R131 PolarHBondContact O-N 3.26Å; G128-L132 PolarHBondContact O-N 3.03Å
129F96.3Very high96.4Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-46.8-50.1-180-177-86.8000112.8L92 F106 F122 R131 L132 F133 L136 V181L92-F129 HydrophobicContact CD2-CD2 3.82Å; F106-F129 HydrophobicContact CE2-CE2 4.37Å; F122-F129 AromaticContact CD1-CD2 3.8Å; F122-F129 HydrophobicContact CD1-CD2 3.8Å; F122-F129 AromaticContact CD1-CE2 3.68Å; F122-F129 HydrophobicContact CD1-CE2 3.68Å; F122-F129 HydrophobicContact CE1-CD2 4.13Å; F122-F129 AromaticContact CE1-CE2 3.89Å; F122-F129 HydrophobicContact CE1-CE2 3.89Å; F129-R131 PolarHBondContact O-N 3.28Å; F129-L132 PolarHBondContact O-N 3.45Å; F129-F133 AromaticContact CD2-CD2 3.87Å; F129-F133 HydrophobicContact CD2-CD2 3.87Å; F129-F133 HydrophobicContact CD2-CE2 4.41Å; F129-F133 HydrophobicContact CE1-CB 4.17Å; F129-F133 AromaticContact CE2-CD2 3.62Å; F129-F133 HydrophobicContact CE2-CD2 3.62Å; F129-F133 HydrophobicContact CE2-CE2 4.16Å; F129-F133 HydrophobicContact CE2-CG 4.38Å; F129-F133 HydrophobicContact CG-CD2 4.43Å; F129-F133 HydrophobicContact CZ-CB 4.15Å; F129-F133 AromaticContact CZ-CD2 3.98Å; F129-F133 HydrophobicContact CZ-CD2 3.98Å; F129-F133 HydrophobicContact CZ-CG 4.31Å; F129-F133 PolarHBondContact O-N 3.31Å; F129-L136 HydrophobicContact CE1-CB 4.24Å; F129-L136 HydrophobicContact CZ-CB 4.48Å; F129-V181 HydrophobicContact CZ-CG2 4.42Å
130S95.6Very high96.4Very high40 Ų4031.5 Ų31.528%0.2817%0.168SC..Hα-helixtrans-68.1-17.9-178.8-72.50000114.2E125 G128E125-S130 PolarHBondContact OE1-OG 3Å; E125-S130 VanDerWaalsContact OE1-OG 3.14Å; E125-S130 PolarHBondContact OE2-N 2.91Å; G128-S130 VanDerWaalsContact C-N 3.3Å; G128-S130 PolarHBondContact O-N 2.82Å
131R95.7Very high96.3Very high221 Ų22132.6 Ų32.683%0.83417%0.174SC*.Hα-helixtrans-83.3-40.3172.2-57.9-175.4-165.5-175.71.9111.5G128 F129G128-R131 WeakPolarHBondContact O-CA 3.12Å; G128-R131 WeakPolarHBondContact O-CB 3.1Å; G128-R131 PolarHBondContact O-N 3.26Å; F129-R131 PolarHBondContact O-N 3.28Å
132L94.9Very high96.2Very high50 Ų5033.9 Ų33.926%0.26218%0.18SC..Hα-helixtrans-68.1-40.5177.4-68.7171.6000110.9L92 K94 G128 F129 P134L92-L132 HydrophobicContact CB-CD1 4.06Å; L92-L132 HydrophobicContact CD2-CD1 3.95Å; L92-L132 HydrophobicContact CG-CD1 3.98Å; L92-L132 WeakPolarHBondContact O-CD1 3.38Å; K94-L132 HydrophobicContact CB-CD2 4.26Å; K94-L132 HydrophobicContact CD-CB 4.35Å; K94-L132 WeakPolarHBondContact CD-O 3.44Å; K94-L132 VanDerWaalsContact CE-O 3.31Å; K94-L132 WeakPolarHBondContact CE-O 3.31Å; K94-L132 PolarHBondContact NZ-O 2.99Å; G128-L132 PolarHBondContact O-N 3.03Å; F129-L132 PolarHBondContact O-N 3.45Å; L132-P134 WeakPolarHBondContact O-CD 3.46Å
133F95.7Very high95.9Very high17 Ų1736.5 Ų36.58%0.07519%0.194CC..SBendtrans-12373.4-176.1-61.1-72.2000110.3L92 K94 L98 F129 G135 L136L92-F133 HydrophobicContact CD2-CE2 4.15Å; K94-F133 HydrophobicContact CB-CE1 4.37Å; K94-F133 HydrophobicContact CB-CE2 4.49Å; K94-F133 HydrophobicContact CB-CZ 3.91Å; K94-F133 HydrophobicContact CD-CD1 4.3Å; K94-F133 HydrophobicContact CD-CE1 3.9Å; K94-F133 HydrophobicContact CD-CZ 4.21Å; K94-F133 HydrophobicContact CG-CE1 3.75Å; K94-F133 HydrophobicContact CG-CZ 3.8Å; L98-F133 HydrophobicContact CB-CD1 4.35Å; L98-F133 HydrophobicContact CD1-CD1 3.77Å; L98-F133 HydrophobicContact CD1-CE1 3.67Å; L98-F133 HydrophobicContact CG-CD1 4.05Å; L98-F133 HydrophobicContact CG-CE1 3.95Å; F129-F133 AromaticContact CD2-CD2 3.87Å; F129-F133 HydrophobicContact CD2-CD2 3.87Å; F129-F133 HydrophobicContact CD2-CE2 4.41Å; F129-F133 HydrophobicContact CE1-CB 4.17Å; F129-F133 AromaticContact CE2-CD2 3.62Å; F129-F133 HydrophobicContact CE2-CD2 3.62Å; F129-F133 HydrophobicContact CE2-CE2 4.16Å; F129-F133 HydrophobicContact CE2-CG 4.38Å; F129-F133 HydrophobicContact CG-CD2 4.43Å; F129-F133 HydrophobicContact CZ-CB 4.15Å; F129-F133 AromaticContact CZ-CD2 3.98Å; F129-F133 HydrophobicContact CZ-CD2 3.98Å; F129-F133 HydrophobicContact CZ-CG 4.31Å; F129-F133 PolarHBondContact O-N 3.31Å; F133-G135 PolarHBondContact O-N 2.91Å; F133-L136 HydrophobicContact CB-CB 3.9Å; F133-L136 HydrophobicContact CB-CD1 3.91Å; F133-L136 HydrophobicContact CB-CG 4.19Å; F133-L136 HydrophobicContact CD1-CD1 4.16Å; F133-L136 HydrophobicContact CG-CD1 4.32Å; F133-L136 PolarHBondContact O-N 3.03Å; F133-L136 VanDerWaalsContact O-N 3.14Å
134P95.8Very high95.6Very high85 Ų8538.6 Ų38.655%0.55221%0.208SC*.THydrogen-bonded Turntrans-61.6138.3-179.327.3-34.5000110.6L132 L136L132-P134 WeakPolarHBondContact O-CD 3.46Å; P134-L136 PolarHBondContact O-N 3.23Å
135G95.5Very high95.3Very high55 Ų5543.4 Ų43.457%0.56723%0.229SC*.THydrogen-bonded Turntrans78.8-13.6-176.100000115F133F133-G135 PolarHBondContact O-N 2.91Å
136L96.4Very high95.1Very high4 Ų444.2 Ų44.22%0.02123%0.231CC..  trans-89.4144.3177.5-63.8-170.8000113L98 P100 Y104 F129 F133 P134 G179 V181L98-L136 HydrophobicContact CB-CD1 3.56Å; L98-L136 HydrophobicContact CD1-CD1 3.7Å; L98-L136 HydrophobicContact CG-CD1 4.27Å; P100-L136 HydrophobicContact CB-CD2 4.39Å; Y104-L136 HydrophobicContact CD2-CD1 4.31Å; Y104-L136 HydrophobicContact CD2-CD2 4.15Å; Y104-L136 HydrophobicContact CE2-CD1 4.22Å; Y104-L136 HydrophobicContact CE2-CD2 3.97Å; F129-L136 HydrophobicContact CE1-CB 4.24Å; F129-L136 HydrophobicContact CZ-CB 4.48Å; F133-L136 HydrophobicContact CB-CB 3.9Å; F133-L136 HydrophobicContact CB-CD1 3.91Å; F133-L136 HydrophobicContact CB-CG 4.19Å; F133-L136 HydrophobicContact CD1-CD1 4.16Å; F133-L136 HydrophobicContact CG-CD1 4.32Å; F133-L136 PolarHBondContact O-N 3.03Å; F133-L136 VanDerWaalsContact O-N 3.14Å; P134-L136 PolarHBondContact O-N 3.23Å; L136-G179 CarbonylContact C-O 3.55Å; L136-G179 WeakPolarHBondContact CA-O 3.24Å; L136-V181 HydrophobicContact CB-CG2 3.91Å; L136-V181 HydrophobicContact CD1-CG2 3.88Å; L136-V181 HydrophobicContact CD2-CG2 4.22Å; L136-V181 HydrophobicContact CG-CG2 4.23Å
137R96.5Very high95Very high90 Ų9044.3 Ų44.334%0.3423%0.23SC..EExtended strand (participates in β ladder)trans-122.4105.9-178.6-58.2-179.8-82.1-162.9-11.7109.6R71 H139 G178 G179 N180 V181R71-R137 VanDerWaalsContact NH1-CA 3.31Å; R137-H139 PolarHBondContact O-CD2 3.2Å; R137-H139 VanDerWaalsContact O-CD2 3.24Å; R137-G178 PolarHBondContact NH2-O 2.78Å; R137-G179 WeakPolarHBondContact CB-O 3.43Å; R137-G179 PolarHBondContact N-O 3Å; R137-N180 PolarHBondContact NE-OD1 2.84Å; R137-V181 PolarHBondContact O-N 3.28Å
138S96.5Very high94.8Very high0 Ų051.4 Ų51.40%025%0.254CS..EExtended strand (participates in β ladder)trans-73.9135.6174.652.70000112.1F122F122-S138 WeakPolarHBondContact O-CB 3.36Å; F122-S138 PolarHBondContact O-OG 3.05Å
139H97.6Very high94.8Very high11 Ų1151.5 Ų51.55%0.05125%0.252CS..EExtended strand (participates in β ladder)trans-132.6111.6173.2-65-86.4000109.5G68 R137 G160 V162 L172 V181 V183G68-H139 PolarHBondContact O-CE1 3.49Å; G68-H139 VanDerWaalsContact O-CE1 3.25Å; G68-H139 PolarHBondContact O-ND1 3.19Å; R137-H139 PolarHBondContact O-CD2 3.2Å; R137-H139 VanDerWaalsContact O-CD2 3.24Å; H139-G160 VanDerWaalsContact CA-O 3.25Å; H139-G160 WeakPolarHBondContact CA-O 3.14Å; H139-V162 HydrophobicContact CB-CG1 4.21Å; H139-V162 HydrophobicContact CB-CG2 3.99Å; H139-L172 HydrophobicContact CB-CD1 3.75Å; H139-V181 PolarHBondContact N-O 3.05Å; H139-V183 PolarHBondContact O-N 3.38Å
140L97.1Very high94.8Very high16 Ų1652 Ų528%0.08426%0.256CS..EExtended strand (participates in β ladder)trans-84.6124.7178.1-175.664.5000110.2A118 C123 G160 L161 V162 V183A118-L140 HydrophobicContact CB-CD1 4.13Å; A118-L140 HydrophobicContact CB-CD2 4.3Å; C123-L140 VanDerWaalsContact SG-CB 3.51Å; C123-L140 WeakPolarHBondContact SG-CD2 3.41Å; L140-G160 PolarHBondContact N-O 3.43Å; L140-L161 HydrophobicContact CB-CG 4.43Å; L140-L161 VanDerWaalsContact O-CA 3.31Å; L140-L161 WeakPolarHBondContact O-CA 3.37Å; L140-V162 PolarHBondContact O-N 3.5Å; L140-V183 HydrophobicContact CD1-CB 3.82Å; L140-V183 HydrophobicContact CD1-CG1 3.72Å
141L95.9Very high94.8Very high23 Ų2353.6 Ų53.612%0.1226%0.257CS..EExtended strand (participates in β ladder)trans-79.6124.2-179.3-85.570.8000110.5V162 L169 L172 A182 V183 I184L141-V162 WeakPolarHBondContact CA-O 3.46Å; L141-V162 HydrophobicContact CD1-CG2 3.79Å; L141-V162 HydrophobicContact CG-CG2 4.02Å; L141-L169 HydrophobicContact CD2-CB 4.33Å; L141-L169 HydrophobicContact CD2-CD1 4.28Å; L141-L172 HydrophobicContact CD1-CD1 4.49Å; L141-A182 HydrophobicContact CD1-CB 3.91Å; L141-V183 PolarHBondContact N-O 2.75Å; L141-I184 HydrophobicContact CB-CG1 4.4Å; L141-I184 HydrophobicContact CD1-CG1 4.28Å; L141-I184 HydrophobicContact CD2-CD1 3.96Å; L141-I184 HydrophobicContact CD2-CG1 3.83Å; L141-I184 HydrophobicContact CG-CG1 4.37Å
142M93.1Very high94.9Very high27 Ų2743.2 Ų43.213%0.13322%0.218CC..EExtended strand (participates in β ladder)trans-123.9152.8-179.2-171-178.4-157.400110.9W146 F147 I156 L161 V162 S163 S164M142-W146 HydrophobicContact CE-CB 4.26Å; M142-W146 HydrophobicContact CE-CD2 4.36Å; M142-W146 HydrophobicContact CE-CG 3.79Å; M142-W146 HydrophobicContact SD-CB 4.08Å; M142-W146 HydrophobicContact SD-CG 4.2Å; M142-F147 HydrophobicContact CB-CE2 3.99Å; M142-F147 HydrophobicContact CB-CZ 4.18Å; M142-I156 HydrophobicContact SD-CD1 3.82Å; M142-L161 HydrophobicContact CB-CD2 4.06Å; M142-L161 HydrophobicContact CG-CD2 4.29Å; M142-L161 HydrophobicContact SD-CD2 3.54Å; M142-L161 VanDerWaalsContact SD-CD2 3.54Å; M142-V162 PolarHBondContact N-O 2.97Å; M142-S163 CarbonylContact O-C 3.39Å; M142-S164 WeakPolarHBondContact O-CB 3.41Å; M142-S164 PolarHBondContact O-N 3.45Å
143L91.4Very high94.9Very high56 Ų5641 Ų4129%0.29321%0.207SC..  trans-53.5132.5-179.5-169.370.3000111.5F145 W146 I257L143-F145 HydrophobicContact CD2-CB 4.16Å; L143-F145 HydrophobicContact CG-CB 4.31Å; L143-F145 PolarHBondContact O-N 3.02Å; L143-W146 PolarHBondContact O-N 3.16Å; L143-I257 HydrophobicContact CD2-CD1 4.24Å; L143-I257 HydrophobicContact CD2-CG1 3.48Å; L143-I257 VanDerWaalsContact CD2-CG1 3.48Å
144P91.9Very high94.9Very high46 Ų4641.9 Ų41.930%0.29921%0.212SC..G310 helixtrans-58.8-26.3-173.6-24.733.1000114.6W146 F147 S163P144-W146 VanDerWaalsContact C-N 3.26Å; P144-W146 PolarHBondContact O-N 3.09Å; P144-F147 PolarHBondContact O-N 3.23Å; P144-F147 VanDerWaalsContact O-N 3.16Å; P144-S163 WeakPolarHBondContact CG-OG 3.22Å
145F90.9Very high94.9Very high103 Ų10340.4 Ų40.445%0.45220%0.196SC..G310 helixtrans-51.5-43.9179.7173.4-101.1000112.6L143 F147 R148 I257L143-F145 HydrophobicContact CD2-CB 4.16Å; L143-F145 HydrophobicContact CG-CB 4.31Å; L143-F145 PolarHBondContact O-N 3.02Å; F145-F147 VanDerWaalsContact C-N 3.26Å; F145-F147 PolarHBondContact O-N 3.13Å; F145-R148 WeakPolarHBondContact O-CB 3.02Å; F145-R148 PolarHBondContact O-N 3.48Å; F145-R148 VanDerWaalsContact O-N 3.12Å; F145-I257 HydrophobicContact CD1-CD1 4.09Å; F145-I257 HydrophobicContact CE1-CD1 4.35Å
146W91.7Very high94.9Very high42 Ų4238.3 Ų38.316%0.15917%0.172CC..G310 helixtrans-65.4-27.6-176.2-67.9115.4000113.7A32 M142 L143 P144 R148 V149 F152 I156A32-W146 HydrophobicContact CB-CE3 3.83Å; A32-W146 HydrophobicContact CB-CZ3 3.46Å; A32-W146 VanDerWaalsContact CB-CZ3 3.46Å; M142-W146 HydrophobicContact CE-CB 4.26Å; M142-W146 HydrophobicContact CE-CD2 4.36Å; M142-W146 HydrophobicContact CE-CG 3.79Å; M142-W146 HydrophobicContact SD-CB 4.08Å; M142-W146 HydrophobicContact SD-CG 4.2Å; L143-W146 PolarHBondContact O-N 3.16Å; P144-W146 VanDerWaalsContact C-N 3.26Å; P144-W146 PolarHBondContact O-N 3.09Å; W146-R148 PolarHBondContact O-N 2.97Å; W146-V149 PolarHBondContact O-N 3.08Å; W146-F152 HydrophobicContact CB-CD1 4.42Å; W146-F152 HydrophobicContact CB-CE1 3.94Å; W146-F152 AromaticContact CD2-CE1 3.99Å; W146-F152 HydrophobicContact CD2-CE1 3.99Å; W146-F152 HydrophobicContact CE3-CD1 4.09Å; W146-F152 AromaticContact CE3-CE1 3.54Å; W146-F152 HydrophobicContact CE3-CE1 3.54Å; W146-F152 HydrophobicContact CE3-CZ 4.38Å; W146-F152 HydrophobicContact CG-CE1 4.2Å; W146-F152 HydrophobicContact CZ3-CE1 4.36Å; W146-I156 HydrophobicContact CB-CD1 3.99Å
147F94.5Very high94.9Very high10 Ų1038.2 Ų38.24%0.04417%0.171CC..G310 helixtrans-77.9-4.7178.4-62.6-79000113.7P65 M142 P144 F145 R153 I156 I157 L161 V162P65-F147 HydrophobicContact CB-CB 3.79Å; P65-F147 HydrophobicContact CB-CD1 3.56Å; P65-F147 HydrophobicContact CB-CD2 4.23Å; P65-F147 HydrophobicContact CB-CE1 4.15Å; P65-F147 HydrophobicContact CB-CG 3.59Å; P65-F147 HydrophobicContact CG-CB 3.7Å; P65-F147 HydrophobicContact CG-CD1 3.83Å; P65-F147 HydrophobicContact CG-CG 3.96Å; M142-F147 HydrophobicContact CB-CE2 3.99Å; M142-F147 HydrophobicContact CB-CZ 4.18Å; P144-F147 PolarHBondContact O-N 3.23Å; P144-F147 VanDerWaalsContact O-N 3.16Å; F145-F147 VanDerWaalsContact C-N 3.26Å; F145-F147 PolarHBondContact O-N 3.13Å; F147-R153 WeakPolarHBondContact O-CB 3.08Å; F147-R153 WeakPolarHBondContact O-CD 3.39Å; F147-I156 HydrophobicContact CD1-CD1 3.68Å; F147-I156 HydrophobicContact CD1-CG1 4.06Å; F147-I156 HydrophobicContact CE1-CD1 3.53Å; F147-I156 HydrophobicContact CE1-CG1 3.75Å; F147-I156 HydrophobicContact CE2-CD1 4.43Å; F147-I156 HydrophobicContact CG-CD1 4.23Å; F147-I156 HydrophobicContact CZ-CD1 3.92Å; F147-I156 HydrophobicContact CZ-CG1 4.45Å; F147-I157 HydrophobicContact CD1-CD1 4.11Å; F147-I157 HydrophobicContact CD1-CG1 3.79Å; F147-I157 HydrophobicContact CE1-CD1 4.48Å; F147-I157 HydrophobicContact CE1-CG1 3.68Å; F147-L161 HydrophobicContact CE1-CB 4.48Å; F147-L161 HydrophobicContact CZ-CB 4.12Å; F147-V162 VanDerWaalsContact CE2-C 3.43Å; F147-V162 WeakPolarHBondContact CE2-O 3.33Å; F147-V162 WeakPolarHBondContact CZ-O 3.26Å
148R93.1Very high94.9Very high172 Ų17235.5 Ų35.565%0.64917%0.166SC*.G310 helixtrans-88.7-12.3173.5-61.7-177.5178.2173.1-2113F145 W146 P150F145-R148 WeakPolarHBondContact O-CB 3.02Å; F145-R148 PolarHBondContact O-N 3.48Å; F145-R148 VanDerWaalsContact O-N 3.12Å; W146-R148 PolarHBondContact O-N 2.97Å; R148-P150 WeakPolarHBondContact O-CD 3.48Å
149V95.5Very high94.8Very high14 Ų1436 Ų369%0.08517%0.17CC..SBendtrans-82118-178.2-177.30000109.3A32 C35 L36 W146 F152 R153A32-V149 HydrophobicContact CB-CG1 4.17Å; A32-V149 VanDerWaalsContact O-CG1 3.28Å; A32-V149 WeakPolarHBondContact O-CG1 3.42Å; C35-V149 HydrophobicContact CB-CG1 4.46Å; L36-V149 HydrophobicContact CB-CG1 4.17Å; W146-V149 PolarHBondContact O-N 3.08Å; V149-F152 HydrophobicContact CB-CB 4.03Å; V149-F152 HydrophobicContact CB-CD1 4.31Å; V149-F152 HydrophobicContact CG1-CB 3.77Å; V149-R153 WeakPolarHBondContact O-CB 3.43Å; V149-R153 WeakPolarHBondContact O-CG 3.25Å; V149-R153 PolarHBondContact O-N 2.76Å
150P95.6Very high94.7Very high11 Ų1135.5 Ų35.57%0.07117%0.169CC..THydrogen-bonded Turntrans-55.1147.4177.5-23.734.3000111.4C35 F39 Y54 L58 R148 F152C35-P150 VanDerWaalsContact CB-O 3.27Å; C35-P150 WeakPolarHBondContact CB-O 3.27Å; F39-P150 HydrophobicContact CB-CB 3.93Å; F39-P150 HydrophobicContact CB-CG 4.19Å; F39-P150 HydrophobicContact CD1-CB 4.23Å; F39-P150 HydrophobicContact CD1-CG 3.73Å; F39-P150 HydrophobicContact CD2-CB 3.98Å; F39-P150 HydrophobicContact CD2-CG 4.32Å; F39-P150 HydrophobicContact CE1-CG 4.17Å; F39-P150 HydrophobicContact CG-CB 3.77Å; F39-P150 HydrophobicContact CG-CG 3.8Å; Y54-P150 HydrophobicContact CE1-CB 3.76Å; L58-P150 HydrophobicContact CD1-CB 3.93Å; L58-P150 HydrophobicContact CD1-CG 4.06Å; R148-P150 WeakPolarHBondContact O-CD 3.48Å; P150-F152 PolarHBondContact O-N 2.81Å
151F96.2Very high94.7Very high72 Ų7235.3 Ų35.332%0.31617%0.168SC..THydrogen-bonded Turntrans61.3-45.1-173.8-47-61.7000115.7C35 F39 L42 Y54 R153 D154 Y155C35-F151 HydrophobicContact CB-CB 4Å; C35-F151 HydrophobicContact CB-CD2 4.43Å; F39-F151 HydrophobicContact CB-CD2 4.26Å; F39-F151 HydrophobicContact CB-CE2 3.72Å; F39-F151 HydrophobicContact CD2-CE2 4.16Å; F39-F151 HydrophobicContact CD2-CZ 4.27Å; F39-F151 HydrophobicContact CG-CE2 4.44Å; L42-F151 HydrophobicContact CD2-CZ 4.49Å; Y54-F151 HydrophobicContact CD1-CD1 4.3Å; Y54-F151 AromaticContact CD1-CE1 3.61Å; Y54-F151 HydrophobicContact CD1-CE1 3.61Å; Y54-F151 AromaticContact CD1-CZ 3.79Å; Y54-F151 HydrophobicContact CD1-CZ 3.79Å; Y54-F151 HydrophobicContact CD2-CE1 4.48Å; Y54-F151 AromaticContact CE1-CD1 3.5Å; Y54-F151 HydrophobicContact CE1-CD1 3.5Å; Y54-F151 HydrophobicContact CE1-CD2 4.46Å; Y54-F151 AromaticContact CE1-CE1 3.27Å; Y54-F151 HydrophobicContact CE1-CE1 3.27Å; Y54-F151 HydrophobicContact CE1-CE2 4.29Å; Y54-F151 HydrophobicContact CE1-CG 4.11Å; Y54-F151 AromaticContact CE1-CZ 3.71Å; Y54-F151 HydrophobicContact CE1-CZ 3.71Å; Y54-F151 HydrophobicContact CE2-CD1 4.38Å; Y54-F151 HydrophobicContact CE2-CE1 4.26Å; Y54-F151 HydrophobicContact CG-CE1 4.21Å; Y54-F151 AromaticContact CZ-CD1 3.58Å; Y54-F151 AromaticContact CZ-CE1 3.68Å; Y54-F151 WeakPolarHBondContact OH-CA 3.2Å; Y54-F151 PolarHBondContact OH-N 3.33Å; F151-R153 VanDerWaalsContact C-N 3.33Å; F151-R153 PolarHBondContact O-N 2.71Å; F151-D154 PolarHBondContact O-N 2.72Å; F151-Y155 PolarHBondContact O-N 3.14Å
152F96.8Very high94.7Very high3 Ų334.2 Ų34.21%0.01316%0.162CC..Hα-helixtrans-62.4-41.6177.7-176.6-113.8000111.7S27 L31 A32 C35 W146 V149 P150 D154 Y155 I156S27-F152 VanDerWaalsContact O-CE2 3.29Å; S27-F152 WeakPolarHBondContact O-CE2 3.43Å; L31-F152 HydrophobicContact CB-CD2 4.23Å; L31-F152 HydrophobicContact CB-CE2 4.25Å; L31-F152 HydrophobicContact CD2-CD2 3.92Å; L31-F152 HydrophobicContact CD2-CE2 4.08Å; L31-F152 HydrophobicContact CG-CD2 3.89Å; L31-F152 HydrophobicContact CG-CE2 4.28Å; A32-F152 HydrophobicContact CB-CB 4.3Å; A32-F152 HydrophobicContact CB-CD1 3.69Å; A32-F152 HydrophobicContact CB-CD2 4.09Å; A32-F152 HydrophobicContact CB-CE1 3.94Å; A32-F152 HydrophobicContact CB-CE2 4.34Å; A32-F152 HydrophobicContact CB-CG 3.75Å; A32-F152 HydrophobicContact CB-CZ 4.26Å; C35-F152 HydrophobicContact CB-CB 4.06Å; W146-F152 HydrophobicContact CB-CD1 4.42Å; W146-F152 HydrophobicContact CB-CE1 3.94Å; W146-F152 AromaticContact CD2-CE1 3.99Å; W146-F152 HydrophobicContact CD2-CE1 3.99Å; W146-F152 HydrophobicContact CE3-CD1 4.09Å; W146-F152 AromaticContact CE3-CE1 3.54Å; W146-F152 HydrophobicContact CE3-CE1 3.54Å; W146-F152 HydrophobicContact CE3-CZ 4.38Å; W146-F152 HydrophobicContact CG-CE1 4.2Å; W146-F152 HydrophobicContact CZ3-CE1 4.36Å; V149-F152 HydrophobicContact CB-CB 4.03Å; V149-F152 HydrophobicContact CB-CD1 4.31Å; V149-F152 HydrophobicContact CG1-CB 3.77Å; P150-F152 PolarHBondContact O-N 2.81Å; F152-D154 VanDerWaalsContact C-N 3.26Å; F152-D154 PolarHBondContact O-N 3.22Å; F152-Y155 HydrophobicContact CD2-CD1 4.44Å; F152-Y155 HydrophobicContact CE2-CD1 4.35Å; F152-Y155 WeakPolarHBondContact O-CB 3.45Å; F152-Y155 PolarHBondContact O-N 3.36Å; F152-I156 HydrophobicContact CD1-CD1 4.33Å; F152-I156 HydrophobicContact CD1-CG2 4.41Å; F152-I156 HydrophobicContact CD2-CG2 4.31Å; F152-I156 HydrophobicContact CE1-CD1 4.11Å; F152-I156 HydrophobicContact CE1-CG2 3.91Å; F152-I156 HydrophobicContact CE2-CG2 3.78Å; F152-I156 HydrophobicContact CZ-CG2 3.57Å; F152-I156 WeakPolarHBondContact O-CG1 3.34Å; F152-I156 PolarHBondContact O-N 3.23Å
153R95.4Very high94.9Very high4 Ų433.2 Ų33.22%0.01516%0.157CC..Hα-helixtrans-53.1-45.1174.564.6176.2-93.51732111.8L58 D61 F147 V149 F151 Y155 I156 I157L58-R153 HydrophobicContact CD2-CG 4.46Å; L58-R153 PolarHBondContact O-NH1 2.92Å; D61-R153 PolarHBondContact O-NH2 3.18Å; D61-R153 IonicContact OD2-CZ 3.17Å; D61-R153 IonicContact OD2-NH2 2.7Å; D61-R153 PolarHBondContact OD2-NH2 2.64Å; F147-R153 WeakPolarHBondContact O-CB 3.08Å; F147-R153 WeakPolarHBondContact O-CD 3.39Å; V149-R153 WeakPolarHBondContact O-CB 3.43Å; V149-R153 WeakPolarHBondContact O-CG 3.25Å; V149-R153 PolarHBondContact O-N 2.76Å; F151-R153 VanDerWaalsContact C-N 3.33Å; F151-R153 PolarHBondContact O-N 2.71Å; R153-Y155 VanDerWaalsContact C-N 3.35Å; R153-Y155 PolarHBondContact O-N 3.33Å; R153-I156 VanDerWaalsContact O-CG1 3.27Å; R153-I156 WeakPolarHBondContact O-CG1 3.18Å; R153-I156 PolarHBondContact O-N 3.38Å; R153-I157 HydrophobicContact CB-CD1 4.37Å; R153-I157 VanDerWaalsContact O-CB 3.26Å; R153-I157 WeakPolarHBondContact O-CB 3.44Å; R153-I157 WeakPolarHBondContact O-CD1 3.44Å; R153-I157 WeakPolarHBondContact O-CG1 3.39Å; R153-I157 PolarHBondContact O-N 3.06Å
154D94.7Very high95Very high35 Ų3533.2 Ų33.219%0.18716%0.162CC..Hα-helixtrans-69.3-38.6-176.3-66.7-61.4000110.5Y54 R70 F151 F152 I157 C158Y54-D154 PolarHBondContact OH-OD2 3.15Å; R70-D154 IonicContact CZ-OD1 3.61Å; R70-D154 IonicContact NH2-OD1 3.08Å; R70-D154 PolarHBondContact NH2-OD1 3.2Å; F151-D154 PolarHBondContact O-N 2.72Å; F152-D154 VanDerWaalsContact C-N 3.26Å; F152-D154 PolarHBondContact O-N 3.22Å; D154-I157 PolarHBondContact O-N 2.63Å; D154-C158 PolarHBondContact O-N 2.76Å; D154-C158 PolarHBondContact O-SG 2.75Å
155Y95.8Very high95.1Very high55 Ų5532.3 Ų32.322%0.21616%0.157CC..Hα-helixtrans-60.5-49.5175174.4-106.3000112.7Q23 S27 L31 W78 F151 F152 R153 C158Q23-Y155 PolarHBondContact NE2-OH 3.37Å; S27-Y155 PolarHBondContact OG-OH 2.87Å; L31-Y155 HydrophobicContact CD2-CD1 3.6Å; L31-Y155 HydrophobicContact CD2-CE1 3.71Å; L31-Y155 HydrophobicContact CD2-CG 4.14Å; W78-Y155 HydrophobicContact CH2-CE2 4.32Å; W78-Y155 HydrophobicContact CZ3-CE2 4.08Å; F151-Y155 PolarHBondContact O-N 3.14Å; F152-Y155 HydrophobicContact CD2-CD1 4.44Å; F152-Y155 HydrophobicContact CE2-CD1 4.35Å; F152-Y155 WeakPolarHBondContact O-CB 3.45Å; F152-Y155 PolarHBondContact O-N 3.36Å; R153-Y155 VanDerWaalsContact C-N 3.35Å; R153-Y155 PolarHBondContact O-N 3.33Å; Y155-C158 WeakPolarHBondContact O-CB 3.47Å; Y155-C158 PolarHBondContact O-N 3.29Å
156I96Very high95.3Very high11 Ų1135.5 Ų35.56%0.05617%0.171CC..Hα-helixtrans-70.9-35.8-179.263.5177.9000112M142 W146 F147 F152 R153 C158 G159 L161M142-I156 HydrophobicContact SD-CD1 3.82Å; W146-I156 HydrophobicContact CB-CD1 3.99Å; F147-I156 HydrophobicContact CD1-CD1 3.68Å; F147-I156 HydrophobicContact CD1-CG1 4.06Å; F147-I156 HydrophobicContact CE1-CD1 3.53Å; F147-I156 HydrophobicContact CE1-CG1 3.75Å; F147-I156 HydrophobicContact CE2-CD1 4.43Å; F147-I156 HydrophobicContact CG-CD1 4.23Å; F147-I156 HydrophobicContact CZ-CD1 3.92Å; F147-I156 HydrophobicContact CZ-CG1 4.45Å; F152-I156 HydrophobicContact CD1-CD1 4.33Å; F152-I156 HydrophobicContact CD1-CG2 4.41Å; F152-I156 HydrophobicContact CD2-CG2 4.31Å; F152-I156 HydrophobicContact CE1-CD1 4.11Å; F152-I156 HydrophobicContact CE1-CG2 3.91Å; F152-I156 HydrophobicContact CE2-CG2 3.78Å; F152-I156 HydrophobicContact CZ-CG2 3.57Å; F152-I156 WeakPolarHBondContact O-CG1 3.34Å; F152-I156 PolarHBondContact O-N 3.23Å; R153-I156 VanDerWaalsContact O-CG1 3.27Å; R153-I156 WeakPolarHBondContact O-CG1 3.18Å; R153-I156 PolarHBondContact O-N 3.38Å; I156-C158 VanDerWaalsContact C-N 3.27Å; I156-C158 PolarHBondContact O-N 3.05Å; I156-G159 PolarHBondContact O-N 2.84Å; I156-L161 HydrophobicContact CB-CB 4.32Å; I156-L161 HydrophobicContact CB-CD1 4.31Å; I156-L161 HydrophobicContact CB-CD2 4.45Å; I156-L161 WeakPolarHBondContact O-CB 3.21Å; I156-L161 WeakPolarHBondContact O-CD1 3.38Å; I156-L161 PolarHBondContact O-N 2.83Å
157I96.4Very high95.4Very high2 Ų236.9 Ų36.91%0.0119%0.187CC..Hα-helixtrans-62.3-37175.7-70.7165.7000110.9T64 P65 R70 F147 R153 D154 G159 G160T64-I157 HydrophobicContact CG2-CD1 4.47Å; P65-I157 HydrophobicContact CG-CD1 3.92Å; R70-I157 HydrophobicContact CB-CG2 3.76Å; F147-I157 HydrophobicContact CD1-CD1 4.11Å; F147-I157 HydrophobicContact CD1-CG1 3.79Å; F147-I157 HydrophobicContact CE1-CD1 4.48Å; F147-I157 HydrophobicContact CE1-CG1 3.68Å; R153-I157 HydrophobicContact CB-CD1 4.37Å; R153-I157 VanDerWaalsContact O-CB 3.26Å; R153-I157 WeakPolarHBondContact O-CB 3.44Å; R153-I157 WeakPolarHBondContact O-CD1 3.44Å; R153-I157 WeakPolarHBondContact O-CG1 3.39Å; R153-I157 PolarHBondContact O-N 3.06Å; D154-I157 PolarHBondContact O-N 2.63Å; I157-G159 PolarHBondContact O-N 3.43Å; I157-G160 WeakPolarHBondContact O-CA 3.45Å; I157-G160 PolarHBondContact O-N 3.12Å
158C96.3Very high95.5Very high33 Ų3336.4 Ų36.422%0.22319%0.185CC..Hα-helixtrans-58.1-34.9174.3-74.20000112.5C72 V75 D154 Y155 I156 G160C72-C158 HydrophobicContact CB-CB 3.86Å; C72-C158 PolarHBondContact N-O 3.16Å; V75-C158 HydrophobicContact CB-CB 4.08Å; V75-C158 HydrophobicContact CG1-CB 4.07Å; V75-C158 HydrophobicContact CG2-CB 3.94Å; D154-C158 PolarHBondContact O-N 2.76Å; D154-C158 PolarHBondContact O-SG 2.75Å; Y155-C158 WeakPolarHBondContact O-CB 3.47Å; Y155-C158 PolarHBondContact O-N 3.29Å; I156-C158 VanDerWaalsContact C-N 3.27Å; I156-C158 PolarHBondContact O-N 3.05Å; C158-G160 PolarHBondContact O-N 3.32Å
159G94.6Very high95.7Very high9 Ų928.7 Ų28.79%0.09316%0.156CC..THydrogen-bonded Turntrans-70.4-6.8173.800000114.3C123 I156 I157C123-G159 CarbonylContact C-O 3.51Å; C123-G159 WeakPolarHBondContact CA-O 3.26Å; C123-G159 WeakPolarHBondContact CB-O 3.46Å; I156-G159 PolarHBondContact O-N 2.84Å; I157-G159 PolarHBondContact O-N 3.43Å
160G95.1Very high95.7Very high2 Ų229.6 Ų29.62%0.02116%0.163CC..THydrogen-bonded Turntrans85.314.6-17400000113.6H139 L140 I157 C158H139-G160 VanDerWaalsContact CA-O 3.25Å; H139-G160 WeakPolarHBondContact CA-O 3.14Å; L140-G160 PolarHBondContact N-O 3.43Å; I157-G160 WeakPolarHBondContact O-CA 3.45Å; I157-G160 PolarHBondContact O-N 3.12Å; C158-G160 PolarHBondContact O-N 3.32Å
161L96.8Very high95.8Very high12 Ų1231.1 Ų31.16%0.06317%0.169CC..EExtended strand (participates in β ladder)trans-73.9140.1172.7-66.788000110.1C123 L140 M142 F147 I156C123-L161 HydrophobicContact CB-CD1 4.13Å; L140-L161 HydrophobicContact CB-CG 4.43Å; L140-L161 VanDerWaalsContact O-CA 3.31Å; L140-L161 WeakPolarHBondContact O-CA 3.37Å; M142-L161 HydrophobicContact CB-CD2 4.06Å; M142-L161 HydrophobicContact CG-CD2 4.29Å; M142-L161 HydrophobicContact SD-CD2 3.54Å; M142-L161 VanDerWaalsContact SD-CD2 3.54Å; F147-L161 HydrophobicContact CE1-CB 4.48Å; F147-L161 HydrophobicContact CZ-CB 4.12Å; I156-L161 HydrophobicContact CB-CB 4.32Å; I156-L161 HydrophobicContact CB-CD1 4.31Å; I156-L161 HydrophobicContact CB-CD2 4.45Å; I156-L161 WeakPolarHBondContact O-CB 3.21Å; I156-L161 WeakPolarHBondContact O-CD1 3.38Å; I156-L161 PolarHBondContact O-N 2.83Å
162V96.9Very high95.8Very high0 Ų027.8 Ų27.80%016%0.155CC..EExtended strand (participates in β ladder)trans-132.3163.9178-61.50000110.5H139 L140 L141 M142 F147 L172H139-V162 HydrophobicContact CB-CG1 4.21Å; H139-V162 HydrophobicContact CB-CG2 3.99Å; L140-V162 PolarHBondContact O-N 3.5Å; L141-V162 WeakPolarHBondContact CA-O 3.46Å; L141-V162 HydrophobicContact CD1-CG2 3.79Å; L141-V162 HydrophobicContact CG-CG2 4.02Å; M142-V162 PolarHBondContact N-O 2.97Å; F147-V162 VanDerWaalsContact CE2-C 3.43Å; F147-V162 WeakPolarHBondContact CE2-O 3.33Å; F147-V162 WeakPolarHBondContact CZ-O 3.26Å; V162-L172 HydrophobicContact CG2-CD1 4.01Å
163S96.4Very high95.8Very high5 Ų527.9 Ų27.94%0.03516%0.155CC..EExtended strand (participates in β ladder)trans-62.3138.1178.61780000111.7P65 M142 P144 S165 S168P65-S163 PolarHBondContact O-N 3.27Å; M142-S163 CarbonylContact O-C 3.39Å; P144-S163 WeakPolarHBondContact CG-OG 3.22Å; S163-S165 PolarHBondContact O-N 2.55Å; S163-S165 VanDerWaalsContact O-N 3.09Å; S163-S165 PolarHBondContact OG-N 2.8Å; S163-S165 PolarHBondContact OG-OG 3.49Å; S163-S168 WeakPolarHBondContact O-CB 3.44Å; S163-S168 PolarHBondContact O-OG 2.86Å
164S94.3Very high95.7Very high56 Ų5630.8 Ų30.839%0.39218%0.176SC..  trans-77.816.1174.875.70000113.5M142M142-S164 WeakPolarHBondContact O-CB 3.41Å; M142-S164 PolarHBondContact O-N 3.45Å
165S94.4Very high95.7Very high28 Ų2834.4 Ų34.420%0.19619%0.187CC..SBendtrans-72154.6178.772.10000111.8S163 S167 S168 L169S163-S165 PolarHBondContact O-N 2.55Å; S163-S165 VanDerWaalsContact O-N 3.09Å; S163-S165 PolarHBondContact OG-N 2.8Å; S163-S165 PolarHBondContact OG-OG 3.49Å; S165-S167 PolarHBondContact O-N 2.89Å; S165-S167 PolarHBondContact OG-OG 3.35Å; S165-S168 PolarHBondContact O-N 3.19Å; S165-S168 WeakPolarHBondContact OG-CB 3.15Å; S165-S168 PolarHBondContact OG-N 3.08Å; S165-S168 VanDerWaalsContact OG-N 3.13Å; S165-L169 PolarHBondContact O-N 3.33Å; S165-L169 VanDerWaalsContact O-N 3.08Å
166K94.4Very high95.4Very high170 Ų17037.8 Ų37.874%0.73922%0.216SC*.Hα-helixtrans-59.9-35.2173.8-68.3179.3-177.11700112.2S170K166-S170 VanDerWaalsContact O-CB 3.23Å; K166-S170 WeakPolarHBondContact O-CB 3.38Å; K166-S170 PolarHBondContact O-N 2.84Å
167S95.2Very high95.3Very high71 Ų7144.3 Ų44.350%0.49725%0.246SC..Hα-helixtrans-64.2-43.1177.252.70000111.5S165 S170 H171S165-S167 PolarHBondContact O-N 2.89Å; S165-S167 PolarHBondContact OG-OG 3.35Å; S167-S170 WeakPolarHBondContact O-CB 3.39Å; S167-S170 PolarHBondContact O-N 3.26Å; S167-H171 WeakPolarHBondContact O-CB 3.4Å; S167-H171 PolarHBondContact O-N 3.1Å
168S96Very high95.1Very high0 Ų044.3 Ų44.30%025%0.247CC..Hα-helixtrans-65.3-45.7177.8-171.70000112.4P65 T66 S163 S165 S170 H171 L172P65-S168 PolarHBondContact O-OG 3.17Å; T66-S168 VanDerWaalsContact O-CA 3.25Å; T66-S168 WeakPolarHBondContact O-CA 3.44Å; S163-S168 WeakPolarHBondContact O-CB 3.44Å; S163-S168 PolarHBondContact O-OG 2.86Å; S165-S168 PolarHBondContact O-N 3.19Å; S165-S168 WeakPolarHBondContact OG-CB 3.15Å; S165-S168 PolarHBondContact OG-N 3.08Å; S165-S168 VanDerWaalsContact OG-N 3.13Å; S168-S170 VanDerWaalsContact C-N 3.35Å; S168-S170 PolarHBondContact O-N 2.83Å; S168-H171 WeakPolarHBondContact O-CB 3.19Å; S168-H171 PolarHBondContact O-N 3.39Å; S168-L172 PolarHBondContact O-N 2.9Å
169L96.4Very high95.1Very high10 Ų1042.9 Ų42.95%0.05224%0.237CC..Hα-helixtrans-62-44175.1-174.157.1000111.4I105 L141 S165 H171 L172 L173 A182 I184 M213I105-L169 HydrophobicContact CD1-CD1 4.28Å; I105-L169 HydrophobicContact CD1-CD2 4.39Å; I105-L169 HydrophobicContact CG1-CD1 4.39Å; L141-L169 HydrophobicContact CD2-CB 4.33Å; L141-L169 HydrophobicContact CD2-CD1 4.28Å; S165-L169 PolarHBondContact O-N 3.33Å; S165-L169 VanDerWaalsContact O-N 3.08Å; L169-H171 VanDerWaalsContact C-N 3.3Å; L169-H171 PolarHBondContact O-N 3.3Å; L169-L172 PolarHBondContact O-N 3.46Å; L169-L173 HydrophobicContact CD1-CD1 3.76Å; L169-L173 HydrophobicContact CD1-CG 4.03Å; L169-L173 HydrophobicContact CG-CD1 3.86Å; L169-L173 HydrophobicContact CG-CG 4.44Å; L169-L173 WeakPolarHBondContact O-CB 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 3.15Å; L169-L173 VanDerWaalsContact O-N 3.09Å; L169-A182 HydrophobicContact CD1-CB 3.43Å; L169-A182 VanDerWaalsContact CD1-CB 3.43Å; L169-I184 HydrophobicContact CD1-CD1 4.22Å; L169-I184 HydrophobicContact CD2-CD1 3.83Å; L169-M213 HydrophobicContact CB-CE 4.4Å; L169-M213 HydrophobicContact CD2-CB 3.71Å; L169-M213 HydrophobicContact CD2-CG 3.79Å; L169-M213 HydrophobicContact CG-CB 4.27Å; L169-M213 HydrophobicContact CG-CE 4.34Å
170S96.8Very high95.2Very high33 Ų3342.8 Ų42.823%0.23124%0.235CC..Hα-helixtrans-56.7-45174.4-176.80000111.6K166 S167 S168 L173 S174 H217K166-S170 VanDerWaalsContact O-CB 3.23Å; K166-S170 WeakPolarHBondContact O-CB 3.38Å; K166-S170 PolarHBondContact O-N 2.84Å; S167-S170 WeakPolarHBondContact O-CB 3.39Å; S167-S170 PolarHBondContact O-N 3.26Å; S168-S170 VanDerWaalsContact C-N 3.35Å; S168-S170 PolarHBondContact O-N 2.83Å; S170-L173 PolarHBondContact O-N 3.45Å; S170-S174 VanDerWaalsContact O-CB 3.22Å; S170-S174 WeakPolarHBondContact O-CB 3.29Å; S170-S174 PolarHBondContact O-N 2.74Å; S170-S174 PolarHBondContact O-OG 2.75Å; S170-H217 PolarHBondContact OG-CE1 2.92Å; S170-H217 PolarHBondContact OG-NE2 3.05Å
171H96.4Very high95.3Very high42 Ų4242.7 Ų42.719%0.19423%0.234CC..Hα-helixtrans-63.8-41.9-178.4-178.795.3000112.6S67 S167 S168 L169 S174 R175S67-H171 WeakPolarHBondContact CA-NE2 3.49Å; S67-H171 PolarHBondContact O-NE2 3.04Å; S67-H171 VanDerWaalsContact O-NE2 3.13Å; S167-H171 WeakPolarHBondContact O-CB 3.4Å; S167-H171 PolarHBondContact O-N 3.1Å; S168-H171 WeakPolarHBondContact O-CB 3.19Å; S168-H171 PolarHBondContact O-N 3.39Å; L169-H171 VanDerWaalsContact C-N 3.3Å; L169-H171 PolarHBondContact O-N 3.3Å; H171-S174 PolarHBondContact O-OG 2.97Å; H171-R175 PolarHBondContact CE1-NH2 2.97Å; H171-R175 PolarHBondContact NE2-NE 3.39Å; H171-R175 PolarHBondContact NE2-NH2 3.2Å
172L96.5Very high95.3Very high3 Ų342.1 Ų42.12%0.01623%0.231CC..Hα-helixtrans-65.5-41.9176.7-72.3-179.5000111.9H139 L141 V162 S168 L169 N180 A182H139-L172 HydrophobicContact CB-CD1 3.75Å; L141-L172 HydrophobicContact CD1-CD1 4.49Å; V162-L172 HydrophobicContact CG2-CD1 4.01Å; S168-L172 PolarHBondContact O-N 2.9Å; L169-L172 PolarHBondContact O-N 3.46Å; L172-N180 HydrophobicContact CB-CB 4.46Å; L172-N180 PolarHBondContact O-ND2 3.16Å; L172-A182 HydrophobicContact CD1-CB 4.03Å
173L96.5Very high95.4Very high4 Ų442.1 Ų42.12%0.02123%0.231CC..Hα-helixtrans-82.8-17.4-174.3-58.7179.3000113.6N103 I105 L169 S170 R175 M213 H217 A219N103-L173 HydrophobicContact CB-CD2 3.99Å; N103-L173 PolarHBondContact ND2-O 3.13Å; I105-L173 HydrophobicContact CD1-CD1 3.59Å; I105-L173 HydrophobicContact CG1-CD1 3.81Å; I105-L173 HydrophobicContact CG1-CD2 3.93Å; I105-L173 HydrophobicContact CG1-CG 4.48Å; L169-L173 HydrophobicContact CD1-CD1 3.76Å; L169-L173 HydrophobicContact CD1-CG 4.03Å; L169-L173 HydrophobicContact CG-CD1 3.86Å; L169-L173 HydrophobicContact CG-CG 4.44Å; L169-L173 WeakPolarHBondContact O-CB 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 3.15Å; L169-L173 VanDerWaalsContact O-N 3.09Å; S170-L173 PolarHBondContact O-N 3.45Å; L173-R175 VanDerWaalsContact C-N 3.32Å; L173-M213 HydrophobicContact CD1-CB 4.48Å; L173-H217 HydrophobicContact CB-CB 3.61Å; L173-H217 HydrophobicContact CD1-CB 4.32Å; L173-A219 HydrophobicContact CB-CB 4.38Å; L173-A219 HydrophobicContact CD1-CB 4.02Å; L173-A219 HydrophobicContact CD2-CB 3.65Å; L173-A219 HydrophobicContact CG-CB 4.2Å
174S94.8Very high95.3Very high65 Ų6543.3 Ų43.346%0.45524%0.236SC..THydrogen-bonded Turntrans-86.75.1178.966.40000114.2S170 H171 P176S170-S174 VanDerWaalsContact O-CB 3.22Å; S170-S174 WeakPolarHBondContact O-CB 3.29Å; S170-S174 PolarHBondContact O-N 2.74Å; S170-S174 PolarHBondContact O-OG 2.75Å; H171-S174 PolarHBondContact O-OG 2.97Å; S174-P176 WeakPolarHBondContact O-CD 3.48Å
175R92.8Very high95.3Very high112 Ų11241.5 Ų41.542%0.42322%0.224SC..  trans-77.5118.6-179.8-65.5-57.3-171.3156.33.4110.3N103 H171 L173 E177 G178 N180N103-R175 PolarHBondContact ND2-O 2.85Å; H171-R175 PolarHBondContact CE1-NH2 2.97Å; H171-R175 PolarHBondContact NE2-NE 3.39Å; H171-R175 PolarHBondContact NE2-NH2 3.2Å; L173-R175 VanDerWaalsContact C-N 3.32Å; R175-E177 VanDerWaalsContact C-N 3.28Å; R175-E177 PolarHBondContact O-N 3.44Å; R175-G178 PolarHBondContact O-N 3.33Å; R175-G178 VanDerWaalsContact O-N 3.16Å; R175-N180 WeakPolarHBondContact CB-ND2 3.32Å; R175-N180 VanDerWaalsContact CG-ND2 3.32Å; R175-N180 WeakPolarHBondContact CG-ND2 3.43Å
176P90.6Very high95.2Very high126 Ų12640.6 Ų40.682%0.81822%0.218SC*.THydrogen-bonded Turntrans-69.9-25.3-17428.1-35.1000113.1S174 G178S174-P176 WeakPolarHBondContact O-CD 3.48Å; P176-G178 PolarHBondContact O-N 3.35Å
177E92.9Very high94.6Very high148 Ų14832.5 Ų32.569%0.69218%0.183SC*.THydrogen-bonded Turntrans-67.2-16175.1-62.9166.2-157.700113.2R175R175-E177 VanDerWaalsContact C-N 3.28Å; R175-E177 PolarHBondContact O-N 3.44Å
178G93.7Very high94.2Very high2 Ų229.9 Ų29.92%0.02117%0.167CC..  trans69.5-158.7-172.100000113.6P100 T101 N103 R137 R175 P176 N180P100-G178 CarbonylContact O-C 3.55Å; T101-G178 WeakPolarHBondContact O-CA 3.44Å; N103-G178 VanDerWaalsContact OD1-C 3.24Å; N103-G178 VanDerWaalsContact OD1-CA 3.29Å; N103-G178 WeakPolarHBondContact OD1-CA 3.29Å; R137-G178 PolarHBondContact NH2-O 2.78Å; R175-G178 PolarHBondContact O-N 3.33Å; R175-G178 VanDerWaalsContact O-N 3.16Å; P176-G178 PolarHBondContact O-N 3.35Å; G178-N180 VanDerWaalsContact C-N 3.3Å; G178-N180 PolarHBondContact O-N 3.33Å
179G95.4Very high93.5Very high2 Ų231.1 Ų31.12%0.02118%0.177CC..  trans83.32.4169.600000114.4P100 Q102 N103 L136 R137P100-G179 WeakPolarHBondContact O-CA 3.32Å; P100-G179 PolarHBondContact O-N 2.95Å; Q102-G179 PolarHBondContact O-N 3.21Å; N103-G179 PolarHBondContact OD1-N 3.31Å; L136-G179 CarbonylContact C-O 3.55Å; L136-G179 WeakPolarHBondContact CA-O 3.24Å; R137-G179 WeakPolarHBondContact CB-O 3.43Å; R137-G179 PolarHBondContact N-O 3Å
180N97.1Very high92.9Very high8 Ų832.1 Ų32.14%0.04319%0.185CC..EExtended strand (participates in β ladder)trans-95.8135.1176.7-60.7-47.8000111.2N103 Y104 R137 L172 R175 G178N103-N180 WeakPolarHBondContact CA-O 3.38Å; N103-N180 WeakPolarHBondContact OD1-CB 3.44Å; N103-N180 PolarHBondContact OD1-N 3.36Å; N103-N180 VanDerWaalsContact OD1-N 3.13Å; Y104-N180 PolarHBondContact N-O 3.27Å; R137-N180 PolarHBondContact NE-OD1 2.84Å; L172-N180 HydrophobicContact CB-CB 4.46Å; L172-N180 PolarHBondContact O-ND2 3.16Å; R175-N180 WeakPolarHBondContact CB-ND2 3.32Å; R175-N180 VanDerWaalsContact CG-ND2 3.32Å; R175-N180 WeakPolarHBondContact CG-ND2 3.43Å; G178-N180 VanDerWaalsContact C-N 3.3Å; G178-N180 PolarHBondContact O-N 3.33Å
181V97.1Very high92.4Very high0 Ų030.7 Ų30.70%017%0.174CC..EExtended strand (participates in β ladder)trans-120.1102.8176.7-178.30000108.5Y104 F106 F129 L136 R137 H139 V183Y104-V181 HydrophobicContact CD2-CG2 4.22Å; Y104-V181 WeakPolarHBondContact O-CA 3.41Å; F106-V181 HydrophobicContact CB-CG1 4.27Å; F106-V181 HydrophobicContact CD1-CG1 3.4Å; F106-V181 HydrophobicContact CD2-CG1 3.63Å; F106-V181 HydrophobicContact CE1-CG1 3.48Å; F106-V181 VanDerWaalsContact CE1-CG1 3.48Å; F106-V181 HydrophobicContact CE1-CG2 4.47Å; F106-V181 HydrophobicContact CE2-CG1 3.72Å; F106-V181 HydrophobicContact CG-CG1 3.49Å; F106-V181 VanDerWaalsContact CG-CG1 3.49Å; F106-V181 HydrophobicContact CZ-CG1 3.64Å; F106-V181 HydrophobicContact CZ-CG2 4.48Å; F129-V181 HydrophobicContact CZ-CG2 4.42Å; L136-V181 HydrophobicContact CB-CG2 3.91Å; L136-V181 HydrophobicContact CD1-CG2 3.88Å; L136-V181 HydrophobicContact CD2-CG2 4.22Å; L136-V181 HydrophobicContact CG-CG2 4.23Å; R137-V181 PolarHBondContact O-N 3.28Å; H139-V181 PolarHBondContact N-O 3.05Å; V181-V183 HydrophobicContact CG1-CG2 4.14Å; V181-V183 PolarHBondContact O-N 2.87Å
182A97.5Very high91.8Very high0 Ų028.9 Ų28.90%017%0.166CC..EExtended strand (participates in β ladder)trans-82.3111.2173.600000109.8Y104 I105 F106 L141 L169 L172Y104-A182 PolarHBondContact O-N 3Å; I105-A182 CarbonylContact C-O 3.45Å; I105-A182 VanDerWaalsContact CA-O 3.29Å; I105-A182 WeakPolarHBondContact CA-O 3.31Å; F106-A182 PolarHBondContact N-O 3.42Å; L141-A182 HydrophobicContact CD1-CB 3.91Å; L169-A182 HydrophobicContact CD1-CB 3.43Å; L169-A182 VanDerWaalsContact CD1-CB 3.43Å; L172-A182 HydrophobicContact CD1-CB 4.03Å
183V97.4Very high91.2Very high0 Ų028.8 Ų28.80%017%0.166CC..EExtended strand (participates in β ladder)trans-94.8122.3178.6-170.30000109.5F106 F108 F122 H139 L140 L141 V181F106-V183 HydrophobicContact CB-CB 4.35Å; F106-V183 HydrophobicContact CB-CG1 4.18Å; F106-V183 HydrophobicContact CB-CG2 4.09Å; F106-V183 HydrophobicContact CD2-CG2 4.35Å; F108-V183 HydrophobicContact CB-CG1 4.02Å; F122-V183 HydrophobicContact CB-CG2 3.99Å; F122-V183 HydrophobicContact CD1-CG2 3.96Å; F122-V183 HydrophobicContact CD2-CB 4.41Å; F122-V183 HydrophobicContact CD2-CG1 3.69Å; F122-V183 HydrophobicContact CD2-CG2 4.15Å; F122-V183 HydrophobicContact CE2-CG1 3.97Å; F122-V183 HydrophobicContact CG-CB 4.44Å; F122-V183 HydrophobicContact CG-CG1 4.18Å; F122-V183 HydrophobicContact CG-CG2 3.75Å; H139-V183 PolarHBondContact O-N 3.38Å; L140-V183 HydrophobicContact CD1-CB 3.82Å; L140-V183 HydrophobicContact CD1-CG1 3.72Å; L141-V183 PolarHBondContact N-O 2.75Å; V181-V183 HydrophobicContact CG1-CG2 4.14Å; V181-V183 PolarHBondContact O-N 2.87Å
184I95.6Very high90.6Very high29 Ų2930.1 Ų30.115%0.14917%0.173CC..EExtended strand (participates in β ladder)trans-123.2120.1-177-54.7-178.1000108.4I105 F106 F108 L141 L169 V186 F210I105-I184 HydrophobicContact CG2-CD1 3.66Å; I105-I184 HydrophobicContact CG2-CG1 4.06Å; F106-I184 PolarHBondContact O-N 2.64Å; F108-I184 PolarHBondContact N-O 2.95Å; L141-I184 HydrophobicContact CB-CG1 4.4Å; L141-I184 HydrophobicContact CD1-CG1 4.28Å; L141-I184 HydrophobicContact CD2-CD1 3.96Å; L141-I184 HydrophobicContact CD2-CG1 3.83Å; L141-I184 HydrophobicContact CG-CG1 4.37Å; L169-I184 HydrophobicContact CD1-CD1 4.22Å; L169-I184 HydrophobicContact CD2-CD1 3.83Å; I184-V186 HydrophobicContact CB-CG2 4.47Å; I184-V186 HydrophobicContact CG2-CG2 4.26Å; I184-V186 PolarHBondContact O-N 3.46Å; I184-F210 HydrophobicContact CD1-CB 3.88Å
185A94.3Very high90.1Very high18 Ų1827 Ų2715%0.14915%0.152CC..EExtended strand (participates in β ladder)trans-75.391.1166.500000108.8F108 H111 V115 G187 G188F108-A185 HydrophobicContact CD1-CB 4.31Å; F108-A185 WeakPolarHBondContact O-CA 3.44Å; H111-A185 HydrophobicContact CB-CB 4.33Å; H111-A185 WeakPolarHBondContact CD2-CB 3.1Å; V115-A185 HydrophobicContact CG1-CB 4.47Å; A185-G187 VanDerWaalsContact C-N 3.33Å; A185-G187 PolarHBondContact O-N 2.84Å; A185-G188 PolarHBondContact O-N 3Å; A185-G188 VanDerWaalsContact O-N 3.1Å
186V90.9Very high89.7Confident9 Ų925 Ų256%0.05514%0.144CC..THydrogen-bonded Turntrans-64.2-35.7-162.1165.60000112.5F108 H109 I184 G188 R207 F210F108-V186 PolarHBondContact O-N 3.21Å; H109-V186 VanDerWaalsContact CE1-CB 3.43Å; H109-V186 WeakPolarHBondContact CE1-CB 3.46Å; H109-V186 VanDerWaalsContact NE2-CB 3.29Å; H109-V186 WeakPolarHBondContact NE2-CB 3.29Å; I184-V186 HydrophobicContact CB-CG2 4.47Å; I184-V186 HydrophobicContact CG2-CG2 4.26Å; I184-V186 PolarHBondContact O-N 3.46Å; V186-G188 PolarHBondContact O-N 3.5Å; V186-R207 HydrophobicContact CG1-CB 3.8Å; V186-R207 HydrophobicContact CG1-CG 4.28Å; V186-F210 HydrophobicContact CB-CE1 4.45Å; V186-F210 HydrophobicContact CG1-CD1 4.18Å; V186-F210 HydrophobicContact CG1-CE1 3.68Å; V186-F210 HydrophobicContact CG1-CZ 4.44Å; V186-F210 HydrophobicContact CG2-CD1 4.02Å; V186-F210 HydrophobicContact CG2-CE1 3.84Å; V186-F210 HydrophobicContact CG2-CG 4.46Å; V186-F210 HydrophobicContact CG2-CZ 4.14Å
187G83.3Confident89.5Confident0 Ų021.3 Ų21.30%012%0.12CC..THydrogen-bonded Turntrans-69.4-24.5179.500000113.7A185 P190 E191A185-G187 VanDerWaalsContact C-N 3.33Å; A185-G187 PolarHBondContact O-N 2.84Å; G187-P190 WeakPolarHBondContact O-CD 3.27Å; G187-E191 WeakPolarHBondContact CA-OE2 3.29Å; G187-E191 PolarHBondContact O-N 3.23Å
188G85.6Confident89Confident17 Ų1717.8 Ų17.818%0.17512%0.124CC..Hα-helixtrans57.7-153.3175.500000113.7H111 A185 V186 E191 A192H111-G188 VanDerWaalsContact CD2-CA 3.44Å; H111-G188 WeakPolarHBondContact CD2-CA 3.21Å; A185-G188 PolarHBondContact O-N 3Å; A185-G188 VanDerWaalsContact O-N 3.1Å; V186-G188 PolarHBondContact O-N 3.5Å; G188-E191 PolarHBondContact O-N 2.82Å; G188-E191 VanDerWaalsContact O-N 3.17Å; G188-A192 PolarHBondContact O-N 2.94Å; G188-A192 VanDerWaalsContact O-N 3.11Å
189A81.8Confident88.4Confident25 Ų2519.3 Ų19.321%0.20714%0.136CC..Hα-helixtrans-56.4-36.7-17700000114.7A192 L193 Q252 A258A189-A192 WeakPolarHBondContact O-CB 3.43Å; A189-A192 PolarHBondContact O-N 3.36Å; A189-L193 WeakPolarHBondContact O-CG 3.38Å; A189-L193 PolarHBondContact O-N 3.49Å; A189-Q252 HydrophobicContact CB-CG 4.32Å; A189-Q252 PolarHBondContact O-NE2 2.94Å; A189-A258 HydrophobicContact CB-CB 3.66Å
190P83.9Confident87.9Confident32 Ų3224 Ų2421%0.20816%0.16CC..Hα-helixtrans-64.1-43.2174.4-27.137.3000114G187 A192 L193 D194 Q203 Q252G187-P190 WeakPolarHBondContact O-CD 3.27Å; P190-A192 VanDerWaalsContact C-N 3.27Å; P190-A192 PolarHBondContact O-N 3.3Å; P190-L193 PolarHBondContact O-N 2.8Å; P190-L193 VanDerWaalsContact O-N 3.16Å; P190-D194 PolarHBondContact O-N 2.87Å; P190-Q203 HydrophobicContact CB-CG 4.28Å; P190-Q252 VanDerWaalsContact N-NE2 3.19Å
191E85.7Confident87.3Confident3 Ų327.3 Ų27.31%0.01418%0.181CC..Hα-helixtrans-65.4-34.2177.3-169.5170.5-98.700111.2H109 H111 G187 G188 L193 D194 A195 L202 Q203H109-E191 IonicContact CE1-OE1 2.7Å; H109-E191 IonicContact CE1-OE2 2.93Å; H109-E191 IonicContact ND1-OE1 3.96Å; H109-E191 PolarHBondContact ND1-OE1 3.41Å; H109-E191 VanDerWaalsContact ND1-OE1 3.08Å; H109-E191 IonicContact ND1-OE2 3.54Å; H109-E191 PolarHBondContact ND1-OE2 3.08Å; H109-E191 VanDerWaalsContact ND1-OE2 3.17Å; H111-E191 HydrophobicContact CB-CB 4.15Å; H111-E191 HydrophobicContact CB-CG 4.23Å; H111-E191 WeakPolarHBondContact CB-OE2 3.35Å; H111-E191 PolarHBondContact N-OE2 3.46Å; G187-E191 WeakPolarHBondContact CA-OE2 3.29Å; G187-E191 PolarHBondContact O-N 3.23Å; G188-E191 PolarHBondContact O-N 2.82Å; G188-E191 VanDerWaalsContact O-N 3.17Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 3.22Å; E191-D194 PolarHBondContact O-N 3.48Å; E191-A195 PolarHBondContact O-N 3.14Å; E191-L202 WeakPolarHBondContact OE1-CA 3.43Å; E191-Q203 HydrophobicContact CB-CB 4.11Å; E191-Q203 HydrophobicContact CB-CG 3.84Å; E191-Q203 HydrophobicContact CG-CG 4.45Å; E191-Q203 PolarHBondContact OE1-N 2.91Å
192A84.6Confident86.8Confident4 Ų430.6 Ų30.63%0.03320%0.198CC..Hα-helixtrans-62.9-36.3172.800000113.1G112 G188 A189 P190 D194 A195 Q235G112-A192 WeakPolarHBondContact O-CA 3.39Å; G112-A192 VanDerWaalsContact O-CB 3.31Å; G112-A192 WeakPolarHBondContact O-CB 3.41Å; G188-A192 PolarHBondContact O-N 2.94Å; G188-A192 VanDerWaalsContact O-N 3.11Å; A189-A192 WeakPolarHBondContact O-CB 3.43Å; A189-A192 PolarHBondContact O-N 3.36Å; P190-A192 VanDerWaalsContact C-N 3.27Å; P190-A192 PolarHBondContact O-N 3.3Å; A192-D194 VanDerWaalsContact C-N 3.26Å; A192-D194 PolarHBondContact O-N 2.95Å; A192-A195 PolarHBondContact O-N 3.21Å; A192-Q235 PolarHBondContact O-NE2 2.84Å
193L83.5Confident86.4Confident0 Ų033.9 Ų33.90%021%0.213CC..Hα-helixtrans-74.2-16.5177.4-68.9172.1000113.6A189 P190 E191 N238 R245 Q248 A258 P260A189-L193 WeakPolarHBondContact O-CG 3.38Å; A189-L193 PolarHBondContact O-N 3.49Å; P190-L193 PolarHBondContact O-N 2.8Å; P190-L193 VanDerWaalsContact O-N 3.16Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 3.22Å; L193-N238 PolarHBondContact O-ND2 3.43Å; L193-R245 VanDerWaalsContact CB-NH1 3.31Å; L193-Q248 HydrophobicContact CD1-CB 4.49Å; L193-Q248 HydrophobicContact CD2-CB 4.44Å; L193-A258 HydrophobicContact CD1-CB 4.05Å; L193-A258 HydrophobicContact CD2-CB 3.84Å; L193-A258 HydrophobicContact CG-CB 3.7Å; L193-P260 HydrophobicContact CD2-CB 4.2Å
194D83.7Confident85.9Confident32 Ų3236.1 Ų36.117%0.17123%0.227CC..Hα-helixtrans-100.3-5.6178.9-64-25.1000112.6P190 E191 A192 R196 Q203 R245P190-D194 PolarHBondContact O-N 2.87Å; E191-D194 PolarHBondContact O-N 3.48Å; A192-D194 VanDerWaalsContact C-N 3.26Å; A192-D194 PolarHBondContact O-N 2.95Å; D194-R196 PolarHBondContact O-N 3.44Å; D194-R196 VanDerWaalsContact O-N 3.15Å; D194-Q203 PolarHBondContact OD2-NE2 2.96Å; D194-Q203 VanDerWaalsContact OD2-NE2 3.1Å; D194-R245 IonicContact OD1-CZ 3.27Å; D194-R245 VanDerWaalsContact OD1-CZ 3.27Å; D194-R245 IonicContact OD1-NH1 2.64Å; D194-R245 PolarHBondContact OD1-NH1 3.05Å; D194-R245 IonicContact OD1-NH2 3.03Å; D194-R245 PolarHBondContact OD1-NH2 3.48Å
195A84.7Confident85.4Confident1 Ų143.5 Ų43.51%0.00826%0.258CS..  trans-67.7108.6-176.800000111.9V113 E191 A192 N230 Q235V113-A195 HydrophobicContact CG2-CB 4.24Å; E191-A195 PolarHBondContact O-N 3.14Å; A192-A195 PolarHBondContact O-N 3.21Å; A195-N230 WeakPolarHBondContact CB-OD1 3.34Å; A195-Q235 WeakPolarHBondContact O-CG 3.41Å; A195-Q235 PolarHBondContact O-NE2 3.05Å
196R84.9Confident85Confident69 Ų6949.5 Ų49.526%0.2629%0.287SS..  trans-135.2149.6177.3-57.4169.9-136.7-88.5-9.6109.4D194 G198 A199 N230 N238D194-R196 PolarHBondContact O-N 3.44Å; D194-R196 VanDerWaalsContact O-N 3.15Å; R196-G198 PolarHBondContact O-N 2.85Å; R196-A199 HydrophobicContact CB-CB 4.01Å; R196-A199 PolarHBondContact O-N 2.58Å; R196-N230 CarbonylContact C-O 3.54Å; R196-N238 VanDerWaalsContact CZ-OD1 3.28Å; R196-N238 PolarHBondContact NH1-OD1 2.9Å; R196-N238 PolarHBondContact NH2-OD1 2.77Å
197P85.6Confident84.8Confident48 Ų4854.3 Ų54.331%0.31231%0.305SS..THydrogen-bonded Turntrans-54.8136.9171.6-29.239.8000111.5A199 E231 F233 D234P197-A199 PolarHBondContact O-N 2.82Å; P197-A199 VanDerWaalsContact O-N 3.14Å; P197-E231 WeakPolarHBondContact CA-OE1 3.48Å; P197-E231 WeakPolarHBondContact CB-OE2 3.05Å; P197-F233 WeakPolarHBondContact CD-O 3.34Å; P197-D234 WeakPolarHBondContact CG-OD1 3.31Å
198G83.9Confident85.2Confident75 Ų7560.1 Ų60.177%0.77333%0.33SS*.THydrogen-bonded Turntrans73.3-10.2-176.200000115.5R196 E231R196-G198 PolarHBondContact O-N 2.85Å; G198-E231 PolarHBondContact N-OE1 3.48Å
199A80.1Confident85.5Confident33 Ų3361.7 Ų61.727%0.27335%0.346SS..  trans-99.9132.9179.100000111.5R196 P197 N230R196-A199 HydrophobicContact CB-CB 4.01Å; R196-A199 PolarHBondContact O-N 2.58Å; P197-A199 PolarHBondContact O-N 2.82Å; P197-A199 VanDerWaalsContact O-N 3.14Å; A199-N230 PolarHBondContact O-ND2 3.33Å
200L84.2Confident86Confident101 Ų10162.1 Ų62.153%0.52934%0.343SS..  trans-129.887.7174.4-173.867.5000110.5P110 L202 F225P110-L200 HydrophobicContact CB-CD1 4.31Å; P110-L200 HydrophobicContact CG-CD1 4.2Å; L200-L202 HydrophobicContact CD1-CD2 3.92Å; L200-L202 HydrophobicContact CG-CD2 4.45Å; L200-F225 HydrophobicContact CD1-CE2 3.88Å; L200-F225 HydrophobicContact CD1-CZ 3.56Å; L200-F225 HydrophobicContact CD2-CE2 3.99Å; L200-F225 HydrophobicContact CD2-CZ 3.58Å; L200-F225 HydrophobicContact CG-CE2 4.46Å; L200-F225 HydrophobicContact CG-CZ 4.19Å
201T84.4Confident86.5Confident78 Ų7862.9 Ų62.948%0.47935%0.345SS..  trans-111.5114.3174.6-56.20000109.3
202L88.3Confident87Confident68 Ų6870.2 Ų70.236%0.35638%0.377SS..  trans-98129.8-178-57.3-176000112.3H109 P110 E191 L200 V204 F225H109-L202 HydrophobicContact CB-CD1 4.44Å; H109-L202 HydrophobicContact CB-CD2 3.96Å; P110-L202 HydrophobicContact CB-CD2 3.99Å; E191-L202 WeakPolarHBondContact OE1-CA 3.43Å; L200-L202 HydrophobicContact CD1-CD2 3.92Å; L200-L202 HydrophobicContact CG-CD2 4.45Å; L202-V204 HydrophobicContact CB-CG2 3.95Å; L202-V204 PolarHBondContact O-N 3.15Å; L202-F225 HydrophobicContact CD1-CE2 4.2Å; L202-F225 HydrophobicContact CD2-CE2 4.39Å
203Q87.4Confident87.5Confident69 Ų6971.1 Ų71.132%0.32238%0.381SS..  trans-92.764.5-177.9-65.3-69.7-10.600111.7P190 E191 D194 R207P190-Q203 HydrophobicContact CB-CG 4.28Å; E191-Q203 HydrophobicContact CB-CB 4.11Å; E191-Q203 HydrophobicContact CB-CG 3.84Å; E191-Q203 HydrophobicContact CG-CG 4.45Å; E191-Q203 PolarHBondContact OE1-N 2.91Å; D194-Q203 PolarHBondContact OD2-NE2 2.96Å; D194-Q203 VanDerWaalsContact OD2-NE2 3.1Å; Q203-R207 WeakPolarHBondContact O-CG 3.41Å
204V87.3Confident88Confident47 Ų4771.3 Ų71.329%0.28538%0.382SS..  trans-105.7-31.3-172.3-1720000114.1H109 L202 N206 R207H109-V204 WeakPolarHBondContact CE1-CG2 3.43Å; H109-V204 WeakPolarHBondContact NE2-CG2 3.4Å; L202-V204 HydrophobicContact CB-CG2 3.95Å; L202-V204 PolarHBondContact O-N 3.15Å; V204-N206 VanDerWaalsContact C-N 3.25Å; V204-N206 PolarHBondContact O-N 3.13Å; V204-R207 PolarHBondContact O-N 3.43Å
205K86Confident88.6Confident184 Ų18472.8 Ų72.880%0.839%0.39SS*.THydrogen-bonded Turntrans-49.4-44.1-166.7-170.4175.2-179.7177.30113.3K208K205-K208 VanDerWaalsContact O-CE 3.29Å; K205-K208 WeakPolarHBondContact O-CE 3.47Å
206N85.1Confident89.1Confident145 Ų14579.9 Ų79.978%0.77542%0.42SS*.THydrogen-bonded Turntrans-103.73.7-175.6-60-27000113.8V204 K208V204-N206 VanDerWaalsContact C-N 3.25Å; V204-N206 PolarHBondContact O-N 3.13Å; N206-K208 PolarHBondContact O-N 2.68Å
207R87.6Confident89.6Confident110 Ų11078.8 Ų78.842%0.41542%0.418SS..  trans-95.974.9-176.2-62.5-64.4-171.6167.81.7111.1V186 Q203 V204 F210V186-R207 HydrophobicContact CG1-CB 3.8Å; V186-R207 HydrophobicContact CG1-CG 4.28Å; Q203-R207 WeakPolarHBondContact O-CG 3.41Å; V204-R207 PolarHBondContact O-N 3.43Å; R207-F210 WeakPolarHBondContact O-CD1 3.31Å; R207-F210 WeakPolarHBondContact O-CE1 3.43Å
208K90.7Very high90Very high121 Ų12178.7 Ų78.753%0.52643%0.426SS..  trans-98.5-2.1-178.8-54.2-58.7-178.1-174.40114.7K205 N206 F210 I211 K212K205-K208 VanDerWaalsContact O-CE 3.29Å; K205-K208 WeakPolarHBondContact O-CE 3.47Å; N206-K208 PolarHBondContact O-N 2.68Å; K208-F210 PolarHBondContact O-N 3.44Å; K208-I211 HydrophobicContact CD-CD1 3.92Å; K208-I211 PolarHBondContact O-N 3.23Å; K208-K212 PolarHBondContact O-N 3.42Å
209G92Very high90.5Very high50 Ų5075.6 Ų75.652%0.51539%0.394SS..Hα-helixtrans-60.6-44.5-175.300000113.9I211 K212 M213G209-I211 VanDerWaalsContact C-N 3.34Å; G209-K212 PolarHBondContact O-N 3.11Å; G209-M213 WeakPolarHBondContact O-CG 3.33Å; G209-M213 PolarHBondContact O-N 2.76Å
210F93.1Very high91.1Very high34 Ų3475.1 Ų75.115%0.14939%0.385CS..Hα-helixtrans-67.8-35.3179.175.7-85.8000112.1I105 I184 V186 R207 K208 M213 A214 L221I105-F210 WeakPolarHBondContact CD1-O 3.35Å; I105-F210 HydrophobicContact CG2-CB 4.44Å; I105-F210 HydrophobicContact CG2-CD2 4.19Å; I184-F210 HydrophobicContact CD1-CB 3.88Å; V186-F210 HydrophobicContact CB-CE1 4.45Å; V186-F210 HydrophobicContact CG1-CD1 4.18Å; V186-F210 HydrophobicContact CG1-CE1 3.68Å; V186-F210 HydrophobicContact CG1-CZ 4.44Å; V186-F210 HydrophobicContact CG2-CD1 4.02Å; V186-F210 HydrophobicContact CG2-CE1 3.84Å; V186-F210 HydrophobicContact CG2-CG 4.46Å; V186-F210 HydrophobicContact CG2-CZ 4.14Å; R207-F210 WeakPolarHBondContact O-CD1 3.31Å; R207-F210 WeakPolarHBondContact O-CE1 3.43Å; K208-F210 PolarHBondContact O-N 3.44Å; F210-M213 PolarHBondContact O-N 3.48Å; F210-A214 PolarHBondContact O-N 3.18Å; F210-L221 HydrophobicContact CD2-CD2 3.76Å; F210-L221 HydrophobicContact CE2-CD1 4.4Å; F210-L221 HydrophobicContact CE2-CD2 3.91Å
211I94Very high91.6Very high48 Ų4871.3 Ų71.325%0.24637%0.365CS..Hα-helixtrans-62.8-47.5173.6-56.6177.5000109.6K208 G209 M213 A214 L215 L221K208-I211 HydrophobicContact CD-CD1 3.92Å; K208-I211 PolarHBondContact O-N 3.23Å; G209-I211 VanDerWaalsContact C-N 3.34Å; I211-M213 PolarHBondContact O-N 3.46Å; I211-A214 WeakPolarHBondContact O-CB 3.44Å; I211-A214 PolarHBondContact O-N 3.1Å; I211-A214 VanDerWaalsContact O-N 3.13Å; I211-L215 HydrophobicContact CG2-CD1 4.21Å; I211-L215 HydrophobicContact CG2-CG 4.47Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.31Å; I211-L215 PolarHBondContact O-N 3.42Å; I211-L221 HydrophobicContact CB-CD1 4.27Å; I211-L221 HydrophobicContact CG1-CD1 3.96Å; I211-L221 HydrophobicContact CG2-CD1 4.07Å
212K94.8Very high92Very high158 Ų15867.9 Ų67.969%0.68735%0.345SS*.Hα-helixtrans-57.6-37.4175.8-171.4176.2-176.9173.70112.2K208 G209 K216K208-K212 PolarHBondContact O-N 3.42Å; G209-K212 PolarHBondContact O-N 3.11Å; K212-K216 WeakPolarHBondContact O-CB 3.39Å; K212-K216 PolarHBondContact O-N 3Å
213M95.9Very high92.3Very high22 Ų2267.8 Ų67.811%0.10835%0.348CS..Hα-helixtrans-69.8-42.1176.3-68.6-62.5-60.200112I105 L169 L173 G209 F210 I211 L215 K216 H217I105-M213 HydrophobicContact CD1-CB 4.42Å; L169-M213 HydrophobicContact CB-CE 4.4Å; L169-M213 HydrophobicContact CD2-CB 3.71Å; L169-M213 HydrophobicContact CD2-CG 3.79Å; L169-M213 HydrophobicContact CG-CB 4.27Å; L169-M213 HydrophobicContact CG-CE 4.34Å; L173-M213 HydrophobicContact CD1-CB 4.48Å; G209-M213 WeakPolarHBondContact O-CG 3.33Å; G209-M213 PolarHBondContact O-N 2.76Å; F210-M213 PolarHBondContact O-N 3.48Å; I211-M213 PolarHBondContact O-N 3.46Å; M213-L215 VanDerWaalsContact C-N 3.33Å; M213-L215 PolarHBondContact O-N 3.17Å; M213-K216 PolarHBondContact O-N 3.5Å; M213-H217 PolarHBondContact O-CD2 3.19Å; M213-H217 VanDerWaalsContact O-CD2 3.28Å; M213-H217 PolarHBondContact O-N 3.16Å; M213-H217 VanDerWaalsContact O-N 3.13Å
214A94.8Very high92.6Very high5 Ų564.7 Ų64.74%0.04133%0.334CS..Hα-helixtrans-56.8-48173.100000111.6I105 F210 I211 K216 H217 G218 A219 L221I105-A214 HydrophobicContact CD1-CB 3.79Å; F210-A214 PolarHBondContact O-N 3.18Å; I211-A214 WeakPolarHBondContact O-CB 3.44Å; I211-A214 PolarHBondContact O-N 3.1Å; I211-A214 VanDerWaalsContact O-N 3.13Å; A214-K216 PolarHBondContact O-N 3.46Å; A214-H217 PolarHBondContact O-N 2.94Å; A214-G218 WeakPolarHBondContact O-CA 3.47Å; A214-G218 PolarHBondContact O-N 3.22Å; A214-A219 WeakPolarHBondContact CB-O 3.2Å; A214-A219 PolarHBondContact O-N 3.12Å; A214-L221 HydrophobicContact CB-CD1 4.2Å; A214-L221 HydrophobicContact CB-CD2 3.44Å; A214-L221 VanDerWaalsContact CB-CD2 3.44Å; A214-L221 HydrophobicContact CB-CG 3.69Å
215L94.9Very high93Very high62 Ų6264.8 Ų64.833%0.32533%0.33SS..Hα-helixtrans-58.3-45.1176.8-64.7171.8000113I211 M213 H217 V292I211-L215 HydrophobicContact CG2-CD1 4.21Å; I211-L215 HydrophobicContact CG2-CG 4.47Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.31Å; I211-L215 PolarHBondContact O-N 3.42Å; M213-L215 VanDerWaalsContact C-N 3.33Å; M213-L215 PolarHBondContact O-N 3.17Å; L215-H217 VanDerWaalsContact C-N 3.27Å; L215-H217 PolarHBondContact O-N 3.42Å; L215-V292 HydrophobicContact CD2-CB 3.26Å; L215-V292 HydrophobicContact CD2-CG1 3Å; L215-V292 HydrophobicContact CD2-CG2 3.92Å; L215-V292 HydrophobicContact CG-CG1 4.45Å
216K95.6Very high93.4Very high150 Ų15056 Ų5665%0.65229%0.292SS*.Hα-helixtrans-64.2-34-177.7-176.1-179.6176.5-169.60112.3K212 M213 A214K212-K216 WeakPolarHBondContact O-CB 3.39Å; K212-K216 PolarHBondContact O-N 3Å; M213-K216 PolarHBondContact O-N 3.5Å; A214-K216 PolarHBondContact O-N 3.46Å
217H95.3Very high93.9Very high46 Ų4654.6 Ų54.621%0.21328%0.28CS..Hα-helixtrans-107.82.2-173.2-67.3-79000113.8S170 L173 M213 A214 L215 A219S170-H217 PolarHBondContact OG-CE1 2.92Å; S170-H217 PolarHBondContact OG-NE2 3.05Å; L173-H217 HydrophobicContact CB-CB 3.61Å; L173-H217 HydrophobicContact CD1-CB 4.32Å; M213-H217 PolarHBondContact O-CD2 3.19Å; M213-H217 VanDerWaalsContact O-CD2 3.28Å; M213-H217 PolarHBondContact O-N 3.16Å; M213-H217 VanDerWaalsContact O-N 3.13Å; A214-H217 PolarHBondContact O-N 2.94Å; L215-H217 VanDerWaalsContact C-N 3.27Å; L215-H217 PolarHBondContact O-N 3.42Å; H217-A219 PolarHBondContact O-N 2.91Å
218G93.6Very high94.1Very high47 Ų4750.4 Ų50.449%0.48527%0.271SS..THydrogen-bonded Turntrans65.521.8-175.500000113.9A214A214-G218 WeakPolarHBondContact O-CA 3.47Å; A214-G218 PolarHBondContact O-N 3.22Å
219A94.9Very high94.1Very high10 Ų1044.8 Ų44.88%0.08325%0.246CC..PPolyproline II helixtrans-81.5145.9-178.300000111.7N103 I105 L173 A214 H217N103-A219 HydrophobicContact CB-CB 4.36Å; N103-A219 CarbonylContact O-C 3.51Å; N103-A219 WeakPolarHBondContact O-CA 3.21Å; N103-A219 WeakPolarHBondContact O-CB 3.34Å; I105-A219 HydrophobicContact CG1-CB 4.45Å; L173-A219 HydrophobicContact CB-CB 4.38Å; L173-A219 HydrophobicContact CD1-CB 4.02Å; L173-A219 HydrophobicContact CD2-CB 3.65Å; L173-A219 HydrophobicContact CG-CB 4.2Å; A214-A219 WeakPolarHBondContact CB-O 3.2Å; A214-A219 PolarHBondContact O-N 3.12Å; H217-A219 PolarHBondContact O-N 2.91Å
220Q93.9Very high94Very high22 Ų2243 Ų4310%0.10323%0.225CC..EExtended strand (participates in β ladder)trans-81.3138.3-179.9-58.6-61.3-32.400110.9Q102 N103 Y104 I105Q102-Q220 HydrophobicContact CB-CG 4.5Å; N103-Q220 PolarHBondContact O-N 3.41Å; Y104-Q220 CarbonylContact C-O 3.51Å; Y104-Q220 VanDerWaalsContact CA-O 3.3Å; Y104-Q220 WeakPolarHBondContact CA-O 3.35Å; Y104-Q220 HydrophobicContact CD1-CB 3.51Å; Y104-Q220 HydrophobicContact CD1-CG 4.33Å; Y104-Q220 HydrophobicContact CE1-CB 3.59Å; Y104-Q220 HydrophobicContact CE1-CG 3.97Å; Y104-Q220 HydrophobicContact CG-CB 4.44Å; I105-Q220 PolarHBondContact N-O 3.03Å
221L94.1Very high93.9Very high21 Ų2144.5 Ų44.511%0.1123%0.232CC..EExtended strand (participates in β ladder)trans-95.2127.5177.2-69.5179.3000110.8I105 F210 I211 A214I105-L221 HydrophobicContact CB-CD2 3.82Å; I105-L221 HydrophobicContact CD1-CD2 4.17Å; I105-L221 HydrophobicContact CG1-CD2 4.36Å; I105-L221 HydrophobicContact CG2-CD2 4.4Å; F210-L221 HydrophobicContact CD2-CD2 3.76Å; F210-L221 HydrophobicContact CE2-CD1 4.4Å; F210-L221 HydrophobicContact CE2-CD2 3.91Å; I211-L221 HydrophobicContact CB-CD1 4.27Å; I211-L221 HydrophobicContact CG1-CD1 3.96Å; I211-L221 HydrophobicContact CG2-CD1 4.07Å; A214-L221 HydrophobicContact CB-CD1 4.2Å; A214-L221 HydrophobicContact CB-CD2 3.44Å; A214-L221 VanDerWaalsContact CB-CD2 3.44Å; A214-L221 HydrophobicContact CB-CG 3.69Å
222V93.5Very high93.7Very high7 Ų742.2 Ų42.24%0.04222%0.221CC..EExtended strand (participates in β ladder)trans-120.7109.5175-174.40000109.2Y104 I105 F106 G107 V224 F287Y104-V222 HydrophobicContact CD1-CG2 3.83Å; I105-V222 PolarHBondContact O-N 2.82Å; F106-V222 CarbonylContact C-O 3.59Å; F106-V222 VanDerWaalsContact CA-O 3.32Å; F106-V222 WeakPolarHBondContact CA-O 3.32Å; F106-V222 HydrophobicContact CD1-CB 3.52Å; F106-V222 HydrophobicContact CD1-CG1 4.19Å; F106-V222 HydrophobicContact CD1-CG2 3.81Å; F106-V222 HydrophobicContact CE1-CB 3.67Å; F106-V222 HydrophobicContact CE1-CG1 4.09Å; F106-V222 HydrophobicContact CE1-CG2 3.55Å; F106-V222 HydrophobicContact CG-CB 4.3Å; G107-V222 PolarHBondContact N-O 3.28Å; V222-V224 HydrophobicContact CG1-CG2 4.18Å; V222-V224 PolarHBondContact O-N 2.89Å; V222-F287 HydrophobicContact CG2-CD2 3.96Å; V222-F287 HydrophobicContact CG2-CE2 4.11Å
223P93.4Very high93.3Very high66 Ų6634.9 Ų34.943%0.42919%0.189SC..EExtended strand (participates in β ladder)trans-66.7127.716926.4-33.1000110K286P223-K286 WeakPolarHBondContact CD-O 3.28Å; P223-K286 VanDerWaalsContact CG-O 3.23Å; P223-K286 WeakPolarHBondContact CG-O 3.45Å; P223-K286 PolarHBondContact O-N 3.33Å
224V94.8Very high92.7Very high4 Ų436.1 Ų36.12%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-121.4125.5178.6179.30000108.7F106 G107 F108 H109 F122 V222 T283 V284F106-V224 HydrophobicContact CB-CG2 3.82Å; F106-V224 HydrophobicContact CD2-CG2 3.71Å; F106-V224 HydrophobicContact CE2-CG2 4.44Å; F106-V224 HydrophobicContact CG-CG2 3.83Å; G107-V224 PolarHBondContact O-N 3.38Å; G107-V224 VanDerWaalsContact O-O 3.08Å; F108-V224 CarbonylContact C-O 3.58Å; F108-V224 WeakPolarHBondContact CA-O 3.39Å; F108-V224 HydrophobicContact CD2-CB 4.42Å; F108-V224 HydrophobicContact CD2-CG1 3.78Å; F108-V224 HydrophobicContact CE2-CG1 4.43Å; H109-V224 PolarHBondContact N-O 3.27Å; F122-V224 HydrophobicContact CE2-CG1 4.48Å; F122-V224 HydrophobicContact CZ-CG1 4.08Å; V222-V224 HydrophobicContact CG1-CG2 4.18Å; V222-V224 PolarHBondContact O-N 2.89Å; V224-T283 HydrophobicContact CG1-CG2 3.32Å; V224-V284 WeakPolarHBondContact CA-O 3.27Å
225F95.1Very high92.1Very high48 Ų4836.7 Ų36.721%0.21120%0.198CC..EExtended strand (participates in β ladder)trans-118.5135.1178.9-166.8-85.9000111H109 L200 L202 F227 T283 V284H109-F225 HydrophobicContact CB-CD2 4.27Å; H109-F225 CarbonylContact O-C 3.25Å; H109-F225 VanDerWaalsContact O-CA 3.24Å; H109-F225 WeakPolarHBondContact O-CA 3.06Å; L200-F225 HydrophobicContact CD1-CE2 3.88Å; L200-F225 HydrophobicContact CD1-CZ 3.56Å; L200-F225 HydrophobicContact CD2-CE2 3.99Å; L200-F225 HydrophobicContact CD2-CZ 3.58Å; L200-F225 HydrophobicContact CG-CE2 4.46Å; L200-F225 HydrophobicContact CG-CZ 4.19Å; L202-F225 HydrophobicContact CD1-CE2 4.2Å; L202-F225 HydrophobicContact CD2-CE2 4.39Å; F225-F227 AromaticContact CD1-CD1 3.88Å; F225-F227 HydrophobicContact CD1-CD1 3.88Å; F225-F227 AromaticContact CD1-CD2 3.76Å; F225-F227 HydrophobicContact CD1-CD2 3.76Å; F225-F227 AromaticContact CD1-CE1 3.68Å; F225-F227 HydrophobicContact CD1-CE1 3.68Å; F225-F227 AromaticContact CD1-CE2 3.56Å; F225-F227 HydrophobicContact CD1-CE2 3.56Å; F225-F227 AromaticContact CD1-CG 3.9Å; F225-F227 HydrophobicContact CD1-CG 3.9Å; F225-F227 AromaticContact CD1-CZ 3.51Å; F225-F227 HydrophobicContact CD1-CZ 3.51Å; F225-F227 AromaticContact CE1-CD1 3.44Å; F225-F227 HydrophobicContact CE1-CD1 3.44Å; F225-F227 VanDerWaalsContact CE1-CD1 3.44Å; F225-F227 HydrophobicContact CE1-CD2 4.15Å; F225-F227 AromaticContact CE1-CE1 3.44Å; F225-F227 HydrophobicContact CE1-CE1 3.44Å; F225-F227 VanDerWaalsContact CE1-CE1 3.44Å; F225-F227 HydrophobicContact CE1-CE2 4.16Å; F225-F227 AromaticContact CE1-CG 3.8Å; F225-F227 HydrophobicContact CE1-CG 3.8Å; F225-F227 AromaticContact CE1-CZ 3.81Å; F225-F227 HydrophobicContact CE1-CZ 3.81Å; F225-F227 HydrophobicContact CG-CZ 4.48Å; F225-F227 HydrophobicContact CZ-CE1 4.45Å; F225-T283 CarbonylContact O-C 3.52Å; F225-T283 WeakPolarHBondContact O-CA 3.3Å; F225-V284 PolarHBondContact N-O 3.19Å; F225-V284 PolarHBondContact O-N 3.18Å
226S94.8Very high91.2Very high0 Ų039.1 Ų39.10%021%0.209CC..EExtended strand (participates in β ladder)trans-118.899.9-178.3-164.90000111.3H109 P110 V281 H282 T283H109-S226 PolarHBondContact O-N 3.12Å; P110-S226 VanDerWaalsContact CD-O 3.28Å; P110-S226 WeakPolarHBondContact CD-O 3.15Å; S226-V281 WeakPolarHBondContact OG-CG1 3.37Å; S226-H282 CarbonylContact C-O 3.54Å; S226-H282 WeakPolarHBondContact CA-O 3.5Å; S226-T283 WeakPolarHBondContact CB-OG1 3.33Å; S226-T283 PolarHBondContact OG-OG1 3.16Å
227F94.4Very high90Very high116 Ų11640.2 Ų40.251%0.50922%0.216SC..EExtended strand (participates in β ladder)trans-68.2137.7175.2-61-85.8000110F225 V281 H282 V284F225-F227 AromaticContact CD1-CD1 3.88Å; F225-F227 HydrophobicContact CD1-CD1 3.88Å; F225-F227 AromaticContact CD1-CD2 3.76Å; F225-F227 HydrophobicContact CD1-CD2 3.76Å; F225-F227 AromaticContact CD1-CE1 3.68Å; F225-F227 HydrophobicContact CD1-CE1 3.68Å; F225-F227 AromaticContact CD1-CE2 3.56Å; F225-F227 HydrophobicContact CD1-CE2 3.56Å; F225-F227 AromaticContact CD1-CG 3.9Å; F225-F227 HydrophobicContact CD1-CG 3.9Å; F225-F227 AromaticContact CD1-CZ 3.51Å; F225-F227 HydrophobicContact CD1-CZ 3.51Å; F225-F227 AromaticContact CE1-CD1 3.44Å; F225-F227 HydrophobicContact CE1-CD1 3.44Å; F225-F227 VanDerWaalsContact CE1-CD1 3.44Å; F225-F227 HydrophobicContact CE1-CD2 4.15Å; F225-F227 AromaticContact CE1-CE1 3.44Å; F225-F227 HydrophobicContact CE1-CE1 3.44Å; F225-F227 VanDerWaalsContact CE1-CE1 3.44Å; F225-F227 HydrophobicContact CE1-CE2 4.16Å; F225-F227 AromaticContact CE1-CG 3.8Å; F225-F227 HydrophobicContact CE1-CG 3.8Å; F225-F227 AromaticContact CE1-CZ 3.81Å; F225-F227 HydrophobicContact CE1-CZ 3.81Å; F225-F227 HydrophobicContact CG-CZ 4.48Å; F225-F227 HydrophobicContact CZ-CE1 4.45Å; F227-V281 CarbonylContact O-C 3.5Å; F227-V281 VanDerWaalsContact O-CA 3.25Å; F227-V281 WeakPolarHBondContact O-CA 3.48Å; F227-H282 PolarHBondContact N-O 3.34Å; F227-H282 PolarHBondContact O-N 3.48Å; F227-V284 HydrophobicContact CD2-CG2 4.35Å; F227-V284 HydrophobicContact CE2-CG2 4.11Å
228G92Very high88.9Confident22 Ų2238.1 Ų38.123%0.22721%0.207CC..THydrogen-bonded Turntrans90.8-7.7178.100000115.7N230 E231G228-N230 PolarHBondContact O-N 3.43Å; G228-E231 WeakPolarHBondContact O-CB 3.39Å; G228-E231 PolarHBondContact O-N 2.97Å; G228-E231 VanDerWaalsContact O-N 3.12Å
229E91.1Very high88Confident2 Ų239.9 Ų39.91%0.00921%0.209CC..G310 helixtrans-61.1-42.6-179.4-92.5-71.9-16100113.9F108 P110 A116 G117 E231 L232 V281F108-E229 HydrophobicContact CZ-CG 4.28Å; P110-E229 HydrophobicContact CG-CB 3.9Å; A116-E229 PolarHBondContact N-OE1 2.97Å; A116-E229 PolarHBondContact N-OE2 3.4Å; G117-E229 VanDerWaalsContact CA-OE1 3.26Å; G117-E229 WeakPolarHBondContact CA-OE1 3.5Å; G117-E229 PolarHBondContact N-OE1 2.84Å; E229-E231 PolarHBondContact O-N 2.89Å; E229-L232 WeakPolarHBondContact O-CG 3.36Å; E229-L232 PolarHBondContact O-N 3.19Å; E229-L232 WeakPolarHBondContact OE2-CD1 3.49Å; E229-V281 HydrophobicContact CG-CG1 4.34Å
230N90.7Very high86.9Confident14 Ų1445.8 Ų45.88%0.07524%0.244CC..G310 helixtrans-73.9-12.5178.8-70.5-6000113A195 R196 A199 G228 L232A195-N230 WeakPolarHBondContact CB-OD1 3.34Å; R196-N230 CarbonylContact C-O 3.54Å; A199-N230 PolarHBondContact O-ND2 3.33Å; G228-N230 PolarHBondContact O-N 3.43Å; N230-L232 VanDerWaalsContact C-N 3.31Å
231E90.3Very high86Confident65 Ų6546.9 Ų46.930%0.30426%0.262SS..G310 helixtrans-84.4-6179.3-55.8-60.5135.200112.8P197 G198 G228 E229 K279P197-E231 WeakPolarHBondContact CA-OE1 3.48Å; P197-E231 WeakPolarHBondContact CB-OE2 3.05Å; G198-E231 PolarHBondContact N-OE1 3.48Å; G228-E231 WeakPolarHBondContact O-CB 3.39Å; G228-E231 PolarHBondContact O-N 2.97Å; G228-E231 VanDerWaalsContact O-N 3.12Å; E229-E231 PolarHBondContact O-N 2.89Å; E231-K279 HydrophobicContact CB-CB 4.32Å; E231-K279 HydrophobicContact CB-CG 4.16Å
232L89.3Confident85.5Confident0 Ų047 Ų470%026%0.264CS..SBendtrans-78.6-23.2-173.3-60.3-169.2000113.3F88 A116 E229 N230 P276 Y277 K279 V281F88-L232 HydrophobicContact CD1-CD1 4.17Å; F88-L232 HydrophobicContact CD1-CD2 3.64Å; F88-L232 HydrophobicContact CE1-CD1 3.8Å; F88-L232 HydrophobicContact CE1-CD2 3.69Å; F88-L232 HydrophobicContact CE1-CG 4.25Å; F88-L232 HydrophobicContact CZ-CD1 4.38Å; A116-L232 HydrophobicContact CB-CD1 3.55Å; E229-L232 WeakPolarHBondContact O-CG 3.36Å; E229-L232 PolarHBondContact O-N 3.19Å; E229-L232 WeakPolarHBondContact OE2-CD1 3.49Å; N230-L232 VanDerWaalsContact C-N 3.31Å; L232-P276 HydrophobicContact CB-CB 4.04Å; L232-P276 CarbonylContact O-C 3.6Å; L232-P276 WeakPolarHBondContact O-CA 3.24Å; L232-P276 WeakPolarHBondContact O-CB 3.36Å; L232-Y277 WeakPolarHBondContact O-CD2 3.2Å; L232-Y277 PolarHBondContact O-N 3.43Å; L232-K279 HydrophobicContact CD2-CB 4.06Å; L232-V281 HydrophobicContact CD1-CG2 4.21Å; L232-V281 HydrophobicContact CD2-CG2 3.81Å; L232-V281 HydrophobicContact CG-CG2 4.3Å
233F87.4Confident84.8Confident3 Ų351.2 Ų51.21%0.01329%0.292CS..  trans-144.2143.9-176-62-83000110.6V113 L114 P197 F262 A264 P276V113-F233 HydrophobicContact CB-CB 4.36Å; V113-F233 HydrophobicContact CB-CD2 3.67Å; V113-F233 HydrophobicContact CB-CE2 4.2Å; V113-F233 HydrophobicContact CB-CG 4.15Å; V113-F233 HydrophobicContact CG1-CD2 4.26Å; V113-F233 HydrophobicContact CG1-CG 4.43Å; V113-F233 HydrophobicContact CG2-CB 3.84Å; V113-F233 HydrophobicContact CG2-CD2 4.02Å; V113-F233 HydrophobicContact CG2-CG 4.19Å; L114-F233 HydrophobicContact CB-CE2 4.12Å; L114-F233 HydrophobicContact CB-CZ 4.37Å; L114-F233 HydrophobicContact CD1-CE1 4.32Å; L114-F233 HydrophobicContact CD1-CE2 4.11Å; L114-F233 HydrophobicContact CD1-CZ 3.53Å; L114-F233 HydrophobicContact CG-CE2 3.92Å; L114-F233 HydrophobicContact CG-CZ 3.84Å; P197-F233 WeakPolarHBondContact CD-O 3.34Å; F233-F262 HydrophobicContact CB-CB 4.3Å; F233-F262 AromaticContact CD1-CD2 3.44Å; F233-F262 HydrophobicContact CD1-CD2 3.44Å; F233-F262 VanDerWaalsContact CD1-CD2 3.44Å; F233-F262 AromaticContact CD1-CE2 3.87Å; F233-F262 HydrophobicContact CD1-CE2 3.87Å; F233-F262 HydrophobicContact CD1-CG 4.36Å; F233-F262 AromaticContact CE1-CD2 3.8Å; F233-F262 HydrophobicContact CE1-CD2 3.8Å; F233-F262 AromaticContact CE1-CE2 3.7Å; F233-F262 HydrophobicContact CE1-CE2 3.7Å; F233-F262 HydrophobicContact CG-CD2 4.11Å; F233-F262 HydrophobicContact CZ-CE2 4.43Å; F233-A264 HydrophobicContact CD1-CB 3.83Å; F233-A264 HydrophobicContact CE1-CB 4.4Å; F233-P276 HydrophobicContact CD1-CB 4.24Å; F233-P276 HydrophobicContact CD2-CB 4.37Å; F233-P276 HydrophobicContact CE1-CB 3.62Å; F233-P276 HydrophobicContact CE1-CG 3.99Å; F233-P276 HydrophobicContact CE2-CB 3.77Å; F233-P276 HydrophobicContact CE2-CG 4.24Å; F233-P276 HydrophobicContact CZ-CB 3.37Å; F233-P276 HydrophobicContact CZ-CG 3.54Å
234D83.8Confident84.1Confident49 Ų4950.5 Ų50.526%0.26228%0.284SS..EExtended strand (participates in β ladder)trans-87.1145.2162.5-73.2-53.3000109.6P197 F262 H263 Y277P197-D234 WeakPolarHBondContact CG-OD1 3.31Å; D234-F262 CarbonylContact O-C 3.51Å; D234-F262 WeakPolarHBondContact O-CA 3.44Å; D234-F262 WeakPolarHBondContact O-CB 3.43Å; D234-H263 WeakPolarHBondContact CA-O 3.43Å; D234-H263 WeakPolarHBondContact CB-CE1 3.32Å; D234-H263 PolarHBondContact N-O 2.99Å; D234-H263 PolarHBondContact O-N 3.44Å; D234-Y277 WeakPolarHBondContact OD2-CE2 3.44Å; D234-Y277 VanDerWaalsContact OD2-CZ 3.25Å; D234-Y277 PolarHBondContact OD2-OH 2.89Å
235Q80.8Confident83.3Confident17 Ų1751 Ų518%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-115.3143.4170.9-69.9-163.257.700110.2V113 A192 A195 E237 F262V113-Q235 HydrophobicContact CG2-CG 4.29Å; A192-Q235 PolarHBondContact O-NE2 2.84Å; A195-Q235 WeakPolarHBondContact O-CG 3.41Å; A195-Q235 PolarHBondContact O-NE2 3.05Å; Q235-E237 PolarHBondContact O-N 3.35Å; Q235-F262 HydrophobicContact CG-CB 4.04Å
236M75.6Confident82.6Confident112 Ų11256.4 Ų56.455%0.55231%0.305SS*.  trans-57.5140.8168.9-72.7-169.272.800109.9N238 L261M236-N238 PolarHBondContact O-N 3.16Å; M236-N238 VanDerWaalsContact O-N 3.13Å; M236-L261 HydrophobicContact CB-CB 4.46Å; M236-L261 HydrophobicContact CG-CB 4.46Å; M236-L261 PolarHBondContact N-O 3.4Å; M236-L261 HydrophobicContact SD-CB 4.4Å; M236-L261 HydrophobicContact SD-CD1 4.35Å
237E71.1Confident81.9Confident174 Ų17461.1 Ų61.181%0.81333%0.329SS*.  trans-59.2119.6177.3-67.7-176.2179.400110.4Q235Q235-E237 PolarHBondContact O-N 3.35Å
238N71.5Confident81.2Confident2 Ų256 Ų561%0.01131%0.307CS..  trans-134.162.9-177.665.9-15.6000110.1L193 R196 M236 L244 R245 Q248L193-N238 PolarHBondContact O-ND2 3.43Å; R196-N238 VanDerWaalsContact CZ-OD1 3.28Å; R196-N238 PolarHBondContact NH1-OD1 2.9Å; R196-N238 PolarHBondContact NH2-OD1 2.77Å; M236-N238 PolarHBondContact O-N 3.16Å; M236-N238 VanDerWaalsContact O-N 3.13Å; N238-L244 HydrophobicContact CB-CD2 4.11Å; N238-L244 HydrophobicContact CB-CG 4.48Å; N238-R245 PolarHBondContact ND2-NE 3.49Å; N238-R245 PolarHBondContact O-NE 3.36Å; N238-R245 VanDerWaalsContact O-NE 3.09Å; N238-R245 PolarHBondContact O-NH2 2.77Å; N238-R245 PolarHBondContact OD1-NH2 2.89Å; N238-Q248 PolarHBondContact ND2-OE1 3.08Å
239P75.4Confident80.6Confident83 Ų8358.2 Ų58.254%0.53931%0.314SS..  trans-57.7149.7-176.624.7-32.8000110.8G241 S242P239-G241 PolarHBondContact O-N 2.89Å; P239-S242 VanDerWaalsContact O-CB 3.28Å; P239-S242 WeakPolarHBondContact O-CB 3.49Å; P239-S242 PolarHBondContact O-N 3.34Å; P239-S242 PolarHBondContact O-OG 3.43Å
240T72.8Confident80Confident134 Ų13466.5 Ų66.582%0.82235%0.345SS*.THydrogen-bonded Turntrans-55.7123.7178.4-53.90000109.6
241G74.4Confident79.1Confident46 Ų4668.3 Ų68.347%0.47435%0.354SS..THydrogen-bonded Turntrans99.3-15.2-176.100000115.3P239 R246P239-G241 PolarHBondContact O-N 2.89Å; G241-R246 PolarHBondContact O-NE 3.49Å; G241-R246 VanDerWaalsContact O-NE 3.17Å
242S82.3Confident78.5Confident22 Ų2266.8 Ų66.815%0.15435%0.347CS..  trans-59.2151.8175.260.90000112.3P239 L244 R245 R246P239-S242 VanDerWaalsContact O-CB 3.28Å; P239-S242 WeakPolarHBondContact O-CB 3.49Å; P239-S242 PolarHBondContact O-N 3.34Å; P239-S242 PolarHBondContact O-OG 3.43Å; S242-L244 VanDerWaalsContact C-N 3.25Å; S242-L244 PolarHBondContact O-N 2.84Å; S242-R245 PolarHBondContact O-N 3.24Å; S242-R245 WeakPolarHBondContact OG-CB 3.42Å; S242-R245 PolarHBondContact OG-N 3.47Å; S242-R246 PolarHBondContact O-N 2.87Å
243P80.5Confident77.6Confident96 Ų9671.3 Ų71.362%0.62338%0.379SS*.Hα-helixtrans-55.7-41.2175.4-23.833.4000112.5R246 L247P243-R246 PolarHBondContact O-N 2.63Å; P243-L247 PolarHBondContact O-N 3.22Å
244L78Confident76.6Confident52 Ų5276.9 Ų76.927%0.27241%0.408SS..Hα-helixtrans-60.9-48176.2178.361.3000111.6N238 S242 R246 L247 Q248 L261N238-L244 HydrophobicContact CB-CD2 4.11Å; N238-L244 HydrophobicContact CB-CG 4.48Å; S242-L244 VanDerWaalsContact C-N 3.25Å; S242-L244 PolarHBondContact O-N 2.84Å; L244-R246 VanDerWaalsContact C-N 3.32Å; L244-R246 PolarHBondContact O-N 2.75Å; L244-L247 PolarHBondContact O-N 3.03Å; L244-Q248 HydrophobicContact CD1-CG 4.31Å; L244-Q248 WeakPolarHBondContact O-CB 3.49Å; L244-Q248 WeakPolarHBondContact O-CG 3.24Å; L244-Q248 PolarHBondContact O-N 2.7Å; L244-L261 HydrophobicContact CD1-CD1 3.74Å; L244-L261 HydrophobicContact CD2-CD1 4.03Å
245R79.1Confident75.5Confident14 Ų1479.8 Ų79.85%0.05342%0.421CS..Hα-helixtrans-64-37.7177.6-178.165.281142.39.3111.8L193 D194 N238 S242 Q248 N249L193-R245 VanDerWaalsContact CB-NH1 3.31Å; D194-R245 IonicContact OD1-CZ 3.27Å; D194-R245 VanDerWaalsContact OD1-CZ 3.27Å; D194-R245 IonicContact OD1-NH1 2.64Å; D194-R245 PolarHBondContact OD1-NH1 3.05Å; D194-R245 IonicContact OD1-NH2 3.03Å; D194-R245 PolarHBondContact OD1-NH2 3.48Å; N238-R245 PolarHBondContact ND2-NE 3.49Å; N238-R245 PolarHBondContact O-NE 3.36Å; N238-R245 VanDerWaalsContact O-NE 3.09Å; N238-R245 PolarHBondContact O-NH2 2.77Å; N238-R245 PolarHBondContact OD1-NH2 2.89Å; S242-R245 PolarHBondContact O-N 3.24Å; S242-R245 WeakPolarHBondContact OG-CB 3.42Å; S242-R245 PolarHBondContact OG-N 3.47Å; R245-Q248 PolarHBondContact O-N 2.88Å; R245-N249 WeakPolarHBondContact CD-OD1 3.46Å; R245-N249 VanDerWaalsContact O-CB 3.3Å; R245-N249 WeakPolarHBondContact O-CB 3.46Å; R245-N249 PolarHBondContact O-N 3.38Å; R245-N249 PolarHBondContact O-ND2 3.03Å; R245-N249 PolarHBondContact O-OD1 3.45Å
246R80.3Confident74.7Confident162 Ų16280.9 Ų80.961%0.61144%0.437SS*.Hα-helixtrans-61.9-43.8175.1-76.3-174.2-83.2169.4-3.1111.6G241 S242 P243 L244 R250G241-R246 PolarHBondContact O-NE 3.49Å; G241-R246 VanDerWaalsContact O-NE 3.17Å; S242-R246 PolarHBondContact O-N 2.87Å; P243-R246 PolarHBondContact O-N 2.63Å; L244-R246 VanDerWaalsContact C-N 3.32Å; L244-R246 PolarHBondContact O-N 2.75Å; R246-R250 WeakPolarHBondContact O-CB 3.5Å; R246-R250 PolarHBondContact O-N 2.84Å
247L78.9Confident74.2Confident98 Ų9877.6 Ų77.651%0.51342%0.421SS..Hα-helixtrans-64.2-47.9174.9-179.862.2000111.7P243 L244 N249 R250 L251P243-L247 PolarHBondContact O-N 3.22Å; L244-L247 PolarHBondContact O-N 3.03Å; L247-N249 VanDerWaalsContact C-N 3.35Å; L247-N249 PolarHBondContact O-N 3.37Å; L247-R250 PolarHBondContact O-N 2.93Å; L247-L251 HydrophobicContact CD1-CD1 3.93Å; L247-L251 HydrophobicContact CD1-CG 4.12Å; L247-L251 HydrophobicContact CG-CD1 3.89Å; L247-L251 HydrophobicContact CG-CG 4.44Å; L247-L251 WeakPolarHBondContact O-CG 3.39Å; L247-L251 PolarHBondContact O-N 3.49Å
248Q79.8Confident73.9Confident10 Ų1070.2 Ų70.25%0.04739%0.389CS..Hα-helixtrans-58.6-45177.9-74.8177.9-40.800111.9L193 N238 L244 R245 L251 Q252 M259L193-Q248 HydrophobicContact CD1-CB 4.49Å; L193-Q248 HydrophobicContact CD2-CB 4.44Å; N238-Q248 PolarHBondContact ND2-OE1 3.08Å; L244-Q248 HydrophobicContact CD1-CG 4.31Å; L244-Q248 WeakPolarHBondContact O-CB 3.49Å; L244-Q248 WeakPolarHBondContact O-CG 3.24Å; L244-Q248 PolarHBondContact O-N 2.7Å; R245-Q248 PolarHBondContact O-N 2.88Å; Q248-L251 PolarHBondContact O-N 3.2Å; Q248-Q252 WeakPolarHBondContact O-CB 3.28Å; Q248-Q252 PolarHBondContact O-N 3.14Å; Q248-M259 PolarHBondContact NE2-O 3.31Å
249N79.5Confident73.6Confident67 Ų6774.8 Ų74.836%0.35841%0.412SS..Hα-helixtrans-65.1-39177.8-70.7-7.7000111.8R245 L247 Q252 S253R245-N249 WeakPolarHBondContact CD-OD1 3.46Å; R245-N249 VanDerWaalsContact O-CB 3.3Å; R245-N249 WeakPolarHBondContact O-CB 3.46Å; R245-N249 PolarHBondContact O-N 3.38Å; R245-N249 PolarHBondContact O-ND2 3.03Å; R245-N249 PolarHBondContact O-OD1 3.45Å; L247-N249 VanDerWaalsContact C-N 3.35Å; L247-N249 PolarHBondContact O-N 3.37Å; N249-Q252 PolarHBondContact O-N 2.85Å; N249-S253 PolarHBondContact O-N 2.9Å; N249-S253 PolarHBondContact O-OG 2.83Å
250R78.1Confident73.2Confident177 Ų17771.9 Ų71.967%0.66839%0.393SS*.Hα-helixtrans-66.2-44.5176.3-175178.2179.5-175.30.1111.9R246 L247 Q252 S253 I254R246-R250 WeakPolarHBondContact O-CB 3.5Å; R246-R250 PolarHBondContact O-N 2.84Å; L247-R250 PolarHBondContact O-N 2.93Å; R250-Q252 VanDerWaalsContact C-N 3.34Å; R250-S253 PolarHBondContact O-N 3.42Å; R250-S253 PolarHBondContact O-OG 3.29Å; R250-I254 HydrophobicContact CG-CD1 4.03Å; R250-I254 WeakPolarHBondContact O-CD1 3.47Å; R250-I254 VanDerWaalsContact O-CG1 3.27Å; R250-I254 WeakPolarHBondContact O-CG1 3.35Å; R250-I254 PolarHBondContact O-N 3.33Å; R250-I254 VanDerWaalsContact O-N 3.16Å
251L72.8Confident73.2Confident51 Ų5169.6 Ų69.627%0.26738%0.375SS..Hα-helixtrans-66.2-40176.8-67.4172.6000110.8L247 Q248 S253 I254 M255 M259L247-L251 HydrophobicContact CD1-CD1 3.93Å; L247-L251 HydrophobicContact CD1-CG 4.12Å; L247-L251 HydrophobicContact CG-CD1 3.89Å; L247-L251 HydrophobicContact CG-CG 4.44Å; L247-L251 WeakPolarHBondContact O-CG 3.39Å; L247-L251 PolarHBondContact O-N 3.49Å; Q248-L251 PolarHBondContact O-N 3.2Å; L251-S253 PolarHBondContact O-N 3.45Å; L251-I254 PolarHBondContact O-N 2.88Å; L251-M255 WeakPolarHBondContact O-CB 3.45Å; L251-M255 WeakPolarHBondContact O-CG 3.3Å; L251-M255 PolarHBondContact O-N 3.42Å; L251-M259 HydrophobicContact CB-CE 4.39Å; L251-M259 HydrophobicContact CD1-CE 3.46Å; L251-M259 VanDerWaalsContact CD1-CE 3.46Å; L251-M259 HydrophobicContact CG-CE 4.43Å
252Q76.2Confident73.4Confident34 Ų3468.8 Ų68.816%0.15936%0.359CS..Hα-helixtrans-61.4-42.2173.3-179.5-174.260.900112.3A189 P190 Q248 N249 R250 I254 G256 I257A189-Q252 HydrophobicContact CB-CG 4.32Å; A189-Q252 PolarHBondContact O-NE2 2.94Å; P190-Q252 VanDerWaalsContact N-NE2 3.19Å; Q248-Q252 WeakPolarHBondContact O-CB 3.28Å; Q248-Q252 PolarHBondContact O-N 3.14Å; N249-Q252 PolarHBondContact O-N 2.85Å; R250-Q252 VanDerWaalsContact C-N 3.34Å; Q252-I254 VanDerWaalsContact C-N 3.28Å; Q252-I254 PolarHBondContact O-N 3.41Å; Q252-G256 WeakPolarHBondContact O-CA 3.27Å; Q252-G256 PolarHBondContact O-N 2.94Å; Q252-I257 WeakPolarHBondContact CA-O 3.39Å
253S71Confident73.4Confident95 Ų9569.6 Ų69.666%0.66436%0.36SS*.Hα-helixtrans-67.6-29.3179.462.30000113N249 R250 L251N249-S253 PolarHBondContact O-N 2.9Å; N249-S253 PolarHBondContact O-OG 2.83Å; R250-S253 PolarHBondContact O-N 3.42Å; R250-S253 PolarHBondContact O-OG 3.29Å; L251-S253 PolarHBondContact O-N 3.45Å
254I67.5Low73.4Confident120 Ų12065 Ų6562%0.61533%0.33SS*.Hα-helixtrans-84.4-48.8179.6-64.7165.7000110.8R250 L251 Q252R250-I254 HydrophobicContact CG-CD1 4.03Å; R250-I254 WeakPolarHBondContact O-CD1 3.47Å; R250-I254 VanDerWaalsContact O-CG1 3.27Å; R250-I254 WeakPolarHBondContact O-CG1 3.35Å; R250-I254 PolarHBondContact O-N 3.33Å; R250-I254 VanDerWaalsContact O-N 3.16Å; L251-I254 PolarHBondContact O-N 2.88Å; Q252-I254 VanDerWaalsContact C-N 3.28Å; Q252-I254 PolarHBondContact O-N 3.41Å
255M60.6Low73.6Confident110 Ų11063.1 Ų63.154%0.54232%0.319SS..Hα-helixtrans-98.1-13.8-168.2-55.8-176.578.100113L251 I257L251-M255 WeakPolarHBondContact O-CB 3.45Å; L251-M255 WeakPolarHBondContact O-CG 3.3Å; L251-M255 PolarHBondContact O-N 3.42Å; M255-I257 HydrophobicContact CB-CB 4.38Å; M255-I257 PolarHBondContact O-N 3.21Å; M255-I257 VanDerWaalsContact O-N 3.14Å
256G63Low73.1Confident40 Ų4062.8 Ų62.841%0.41232%0.321SS..SBendtrans67.83.3-171.700000114.1Q252Q252-G256 WeakPolarHBondContact O-CA 3.27Å; Q252-G256 PolarHBondContact O-N 2.94Å
257I65.4Low72.4Confident43 Ų4357.8 Ų57.822%0.22131%0.308CS..  trans-109.5125.6-177.1-62.1168.4000108.1L143 F145 Q252 M255 M259L143-I257 HydrophobicContact CD2-CD1 4.24Å; L143-I257 HydrophobicContact CD2-CG1 3.48Å; L143-I257 VanDerWaalsContact CD2-CG1 3.48Å; F145-I257 HydrophobicContact CD1-CD1 4.09Å; F145-I257 HydrophobicContact CE1-CD1 4.35Å; Q252-I257 WeakPolarHBondContact CA-O 3.39Å; M255-I257 HydrophobicContact CB-CB 4.38Å; M255-I257 PolarHBondContact O-N 3.21Å; M255-I257 VanDerWaalsContact O-N 3.14Å; I257-M259 HydrophobicContact CG2-CG 4.48Å
258A65.6Low71.8Confident18 Ų1861 Ų6115%0.14932%0.318CS..  trans-81.4134.3164.700000109.2A189 L193 P260A189-A258 HydrophobicContact CB-CB 3.66Å; L193-A258 HydrophobicContact CD1-CB 4.05Å; L193-A258 HydrophobicContact CD2-CB 3.84Å; L193-A258 HydrophobicContact CG-CB 3.7Å; A258-P260 WeakPolarHBondContact O-CD 3.34Å
259M65.3Low71.6Confident99 Ų9962.7 Ų62.749%0.48833%0.326SS..  trans-108.580.6168.2-67.6-169.2-67.200109Q248 L251 I257 L261Q248-M259 PolarHBondContact NE2-O 3.31Å; L251-M259 HydrophobicContact CB-CE 4.39Å; L251-M259 HydrophobicContact CD1-CE 3.46Å; L251-M259 VanDerWaalsContact CD1-CE 3.46Å; L251-M259 HydrophobicContact CG-CE 4.43Å; I257-M259 HydrophobicContact CG2-CG 4.48Å; M259-L261 PolarHBondContact O-N 3.02Å
260P65.6Low71.4Confident21 Ų2163 Ų6314%0.13632%0.323CS..  trans-62.4132.1169.924.2-28.7000109.1V113 L193 A258 F262V113-P260 HydrophobicContact CG1-CG 3.97Å; L193-P260 HydrophobicContact CD2-CB 4.2Å; A258-P260 WeakPolarHBondContact O-CD 3.34Å; P260-F262 HydrophobicContact CB-CD1 4.22Å; P260-F262 HydrophobicContact CG-CD1 3.95Å; P260-F262 HydrophobicContact CG-CE1 4.41Å; P260-F262 VanDerWaalsContact O-CD1 3.28Å; P260-F262 WeakPolarHBondContact O-CD1 3.46Å; P260-F262 PolarHBondContact O-N 3.45Å
261L73.6Confident70.4Confident86 Ų8655.2 Ų55.245%0.4530%0.296SS..  trans-84.890.2167.7-68.3-179.4000107M236 L244 M259M236-L261 HydrophobicContact CB-CB 4.46Å; M236-L261 HydrophobicContact CG-CB 4.46Å; M236-L261 PolarHBondContact N-O 3.4Å; M236-L261 HydrophobicContact SD-CB 4.4Å; M236-L261 HydrophobicContact SD-CD1 4.35Å; L244-L261 HydrophobicContact CD1-CD1 3.74Å; L244-L261 HydrophobicContact CD2-CD1 4.03Å; M259-L261 PolarHBondContact O-N 3.02Å
262F79.3Confident70.3Confident29 Ų2958.9 Ų58.913%0.12731%0.309CS..EExtended strand (participates in β ladder)trans-108.8154.4-178.766.6-92.5000111.4L29 V113 L114 F233 D234 Q235 P260 L274L29-F262 HydrophobicContact CD1-CZ 4.21Å; L29-F262 HydrophobicContact CD2-CZ 4.31Å; V113-F262 HydrophobicContact CG1-CB 4.07Å; V113-F262 HydrophobicContact CG1-CD1 3.31Å; V113-F262 HydrophobicContact CG1-CD2 4.13Å; V113-F262 HydrophobicContact CG1-CE1 3.63Å; V113-F262 HydrophobicContact CG1-CE2 4.39Å; V113-F262 HydrophobicContact CG1-CG 3.58Å; V113-F262 HydrophobicContact CG1-CZ 4.16Å; V113-F262 HydrophobicContact CG2-CB 4.48Å; L114-F262 HydrophobicContact CD1-CZ 4.34Å; L114-F262 HydrophobicContact CD2-CE1 4.32Å; L114-F262 HydrophobicContact CD2-CZ 4.09Å; L114-F262 HydrophobicContact CG-CZ 4.4Å; F233-F262 HydrophobicContact CB-CB 4.3Å; F233-F262 AromaticContact CD1-CD2 3.44Å; F233-F262 HydrophobicContact CD1-CD2 3.44Å; F233-F262 VanDerWaalsContact CD1-CD2 3.44Å; F233-F262 AromaticContact CD1-CE2 3.87Å; F233-F262 HydrophobicContact CD1-CE2 3.87Å; F233-F262 HydrophobicContact CD1-CG 4.36Å; F233-F262 AromaticContact CE1-CD2 3.8Å; F233-F262 HydrophobicContact CE1-CD2 3.8Å; F233-F262 AromaticContact CE1-CE2 3.7Å; F233-F262 HydrophobicContact CE1-CE2 3.7Å; F233-F262 HydrophobicContact CG-CD2 4.11Å; F233-F262 HydrophobicContact CZ-CE2 4.43Å; D234-F262 CarbonylContact O-C 3.51Å; D234-F262 WeakPolarHBondContact O-CA 3.44Å; D234-F262 WeakPolarHBondContact O-CB 3.43Å; Q235-F262 HydrophobicContact CG-CB 4.04Å; P260-F262 HydrophobicContact CB-CD1 4.22Å; P260-F262 HydrophobicContact CG-CD1 3.95Å; P260-F262 HydrophobicContact CG-CE1 4.41Å; P260-F262 VanDerWaalsContact O-CD1 3.28Å; P260-F262 WeakPolarHBondContact O-CD1 3.46Å; P260-F262 PolarHBondContact O-N 3.45Å; F262-L274 HydrophobicContact CD2-CD2 4.47Å; F262-L274 HydrophobicContact CE2-CD2 3.96Å; F262-L274 HydrophobicContact CZ-CD2 4.45Å
263H80.9Confident70.6Confident40 Ų4057.8 Ų57.819%0.18531%0.308CS..EExtended strand (participates in β ladder)trans-142.6159.316968.1-66.3000109.3D234 F272 G273D234-H263 WeakPolarHBondContact CA-O 3.43Å; D234-H263 WeakPolarHBondContact CB-CE1 3.32Å; D234-H263 PolarHBondContact N-O 2.99Å; D234-H263 PolarHBondContact O-N 3.44Å; H263-F272 HydrophobicContact CB-CD2 3.63Å; H263-F272 HydrophobicContact CB-CE2 3.36Å; H263-F272 HydrophobicContact CB-CZ 4.17Å; H263-F272 AromaticContact CD2-CD2 3.62Å; H263-F272 AromaticContact CG-CD2 3.82Å; H263-F272 AromaticContact CG-CE2 3.77Å; H263-G273 CarbonylContact C-O 3.54Å; H263-G273 WeakPolarHBondContact CA-O 3.12Å
264A81.5Confident71.2Confident0 Ų057.7 Ų57.70%030%0.299CS..  trans-148.3-121.2171.600000106.7F233 F272 G273 I275 Y277F233-A264 HydrophobicContact CD1-CB 3.83Å; F233-A264 HydrophobicContact CE1-CB 4.4Å; A264-F272 CarbonylContact O-C 3.41Å; A264-F272 VanDerWaalsContact O-C 3.26Å; A264-F272 WeakPolarHBondContact O-CA 3.28Å; A264-G273 PolarHBondContact N-O 3.45Å; A264-G273 PolarHBondContact O-N 3.02Å; A264-I275 WeakPolarHBondContact CB-O 3.2Å; A264-Y277 HydrophobicContact CB-CD1 4.34Å; A264-Y277 HydrophobicContact CB-CD2 4.18Å; A264-Y277 HydrophobicContact CB-CE1 4.18Å; A264-Y277 HydrophobicContact CB-CE2 4.03Å; A264-Y277 HydrophobicContact CB-CG 4.34Å
265R82.6Confident72.2Confident11 Ų1152.2 Ų52.24%0.04227%0.271CS..BIsolated β-bridgetrans-105.5161-179.259.2172.1-150.890.40.9113.3T18 Y87 F272 G273 L274 I275 Y277T18-R265 PolarHBondContact OG1-NH2 2.94Å; Y87-R265 PolarHBondContact OH-NE 3.09Å; Y87-R265 PolarHBondContact OH-NH2 3.13Å; R265-F272 CarbonylContact C-O 3.26Å; R265-G273 CarbonylContact O-C 3.54Å; R265-G273 WeakPolarHBondContact O-CA 3.37Å; R265-L274 PolarHBondContact O-N 3.14Å; R265-I275 HydrophobicContact CG-CB 4.16Å; R265-I275 HydrophobicContact CG-CG2 4.16Å; R265-I275 WeakPolarHBondContact CG-O 3.14Å; R265-I275 PolarHBondContact N-O 2.85Å; R265-I275 WeakPolarHBondContact O-CA 3.42Å; R265-I275 WeakPolarHBondContact O-CB 3.22Å; R265-I275 PolarHBondContact O-N 3.49Å; R265-Y277 HydrophobicContact CB-CD1 4.49Å; R265-Y277 HydrophobicContact CB-CE1 4.4Å; R265-Y277 HydrophobicContact CG-CD1 4.47Å
266G68Low73.6Confident8 Ų847 Ų478%0.08225%0.245CC..  trans-84.3176.7169.700000113.1Q269 F272G266-Q269 CarbonylContact C-O 3.6Å; G266-Q269 VanDerWaalsContact C-O 3.25Å; G266-Q269 WeakPolarHBondContact CA-O 3.38Å; G266-Q269 PolarHBondContact N-O 3.09Å; G266-F272 WeakPolarHBondContact CA-O 2.81Å; G266-F272 PolarHBondContact N-O 2.95Å; G266-F272 VanDerWaalsContact N-O 3.13Å
267V65.8Low75Confident57 Ų5747.5 Ų47.535%0.34524%0.235SC..SBendtrans-68.2-49172.4179.50000110.3L22 I275L22-V267 HydrophobicContact CD1-CG2 4.23Å; L22-V267 HydrophobicContact CD2-CG2 4.16Å; V267-I275 HydrophobicContact CB-CD1 4.25Å; V267-I275 HydrophobicContact CG2-CD1 3.56Å; V267-I275 HydrophobicContact CG2-CG1 4.49Å
268F65.7Low76.3Confident165 Ų16548.6 Ų48.672%0.72424%0.237SC*.SBendtrans-105.7-2.9-173.4-54.9-68.6000114A6A6-F268 WeakPolarHBondContact CB-O 3.39Å; A6-F268 PolarHBondContact N-O 3.39Å
269Q75.7Confident77.6Confident45 Ų4552.5 Ų52.521%0.2125%0.25CS..BIsolated β-bridgetrans-143.3160.5174.85171.711.200110.6I3 Q4 F5 G266 F272I3-Q269 HydrophobicContact CG2-CB 3.87Å; I3-Q269 HydrophobicContact CG2-CG 4.12Å; Q4-Q269 CarbonylContact O-C 3.47Å; Q4-Q269 WeakPolarHBondContact O-CA 3.49Å; Q4-Q269 WeakPolarHBondContact O-CB 3.41Å; F5-Q269 HydrophobicContact CD1-CB 4.09Å; G266-Q269 CarbonylContact C-O 3.6Å; G266-Q269 VanDerWaalsContact C-O 3.25Å; G266-Q269 WeakPolarHBondContact CA-O 3.38Å; G266-Q269 PolarHBondContact N-O 3.09Å; Q269-F272 PolarHBondContact NE2-O 3.43Å; Q269-F272 PolarHBondContact OE1-O 2.92Å
270Y74.6Confident79Confident74 Ų7451 Ų5129%0.2925%0.248SC..SBendtrans-104.51-172.1-59.8-42.6000114.7Q4 A6Q4-Y270 PolarHBondContact O-N 2.87Å; A6-Y270 HydrophobicContact CB-CE1 4.09Å; A6-Y270 HydrophobicContact CB-CE2 4.12Å
271S57.7Low80.4Confident14 Ų1450 Ų5010%0.09824%0.241CC..SBendtrans-91.8-41-171.6-58.20000113.7M1 K2 I3 Q4M1-S271 WeakPolarHBondContact CE-O 3.42Å; K2-S271 PolarHBondContact O-OG 3.42Å; I3-S271 WeakPolarHBondContact CA-OG 3.2Å; Q4-S271 PolarHBondContact N-OG 3.4Å
272F71.7Confident81.5Confident127 Ų12749.1 Ų49.156%0.55724%0.235SC*.SBendtrans-150.5139-175.1-178.4-97000112.4H263 A264 R265 G266 Q269H263-F272 HydrophobicContact CB-CD2 3.63Å; H263-F272 HydrophobicContact CB-CE2 3.36Å; H263-F272 HydrophobicContact CB-CZ 4.17Å; H263-F272 AromaticContact CD2-CD2 3.62Å; H263-F272 AromaticContact CG-CD2 3.82Å; H263-F272 AromaticContact CG-CE2 3.77Å; A264-F272 CarbonylContact O-C 3.41Å; A264-F272 VanDerWaalsContact O-C 3.26Å; A264-F272 WeakPolarHBondContact O-CA 3.28Å; R265-F272 CarbonylContact C-O 3.26Å; G266-F272 WeakPolarHBondContact CA-O 2.81Å; G266-F272 PolarHBondContact N-O 2.95Å; G266-F272 VanDerWaalsContact N-O 3.13Å; Q269-F272 PolarHBondContact NE2-O 3.43Å; Q269-F272 PolarHBondContact OE1-O 2.92Å
273G81.3Confident82.3Confident12 Ų1247.8 Ų47.812%0.12423%0.229CC..SBendtrans159.8-165.9173.200000112.9H263 A264 R265H263-G273 CarbonylContact C-O 3.54Å; H263-G273 WeakPolarHBondContact CA-O 3.12Å; A264-G273 PolarHBondContact N-O 3.45Å; A264-G273 PolarHBondContact O-N 3.02Å; R265-G273 CarbonylContact O-C 3.54Å; R265-G273 WeakPolarHBondContact O-CA 3.37Å
274L84.4Confident82.9Confident93 Ų9347.8 Ų47.849%0.48723%0.232SC..SBendtrans-104.1-0.4-176-59.3177000113.2V25 L29 F262 R265 P276V25-L274 HydrophobicContact CG1-CB 4.26Å; L29-L274 HydrophobicContact CD1-CD1 4.09Å; F262-L274 HydrophobicContact CD2-CD2 4.47Å; F262-L274 HydrophobicContact CE2-CD2 3.96Å; F262-L274 HydrophobicContact CZ-CD2 4.45Å; R265-L274 PolarHBondContact O-N 3.14Å; L274-P276 WeakPolarHBondContact O-CD 3.39Å
275I88.7Confident83Confident5 Ų548.5 Ų48.53%0.02624%0.239CC..BIsolated β-bridgetrans-84.2121.2176.3-62.9-171000108.6T18 V21 L22 Y87 A264 R265 V267T18-I275 HydrophobicContact CG2-CD1 3.86Å; V21-I275 HydrophobicContact CG1-CG2 4.01Å; L22-I275 HydrophobicContact CB-CD1 4.32Å; L22-I275 HydrophobicContact CD1-CD1 4.18Å; L22-I275 HydrophobicContact CD1-CG1 4.38Å; Y87-I275 WeakPolarHBondContact OH-CG2 3.34Å; A264-I275 WeakPolarHBondContact CB-O 3.2Å; R265-I275 HydrophobicContact CG-CB 4.16Å; R265-I275 HydrophobicContact CG-CG2 4.16Å; R265-I275 WeakPolarHBondContact CG-O 3.14Å; R265-I275 PolarHBondContact N-O 2.85Å; R265-I275 WeakPolarHBondContact O-CA 3.42Å; R265-I275 WeakPolarHBondContact O-CB 3.22Å; R265-I275 PolarHBondContact O-N 3.49Å; V267-I275 HydrophobicContact CB-CD1 4.25Å; V267-I275 HydrophobicContact CG2-CD1 3.56Å; V267-I275 HydrophobicContact CG2-CG1 4.49Å
276P90.3Very high82.6Confident0 Ų055.2 Ų55.20%027%0.268CS..PPolyproline II helixtrans-59156.1179.413.4-25000114V21 W24 V25 Y87 F88 L232 F233 L274V21-P276 HydrophobicContact CG1-CG 3.72Å; W24-P276 HydrophobicContact CZ3-CG 4.47Å; V25-P276 HydrophobicContact CG2-CG 4.48Å; Y87-P276 PolarHBondContact OH-O 3.47Å; F88-P276 HydrophobicContact CE1-CB 3.81Å; F88-P276 HydrophobicContact CE1-CG 3.89Å; F88-P276 HydrophobicContact CZ-CB 3.94Å; F88-P276 HydrophobicContact CZ-CG 3.47Å; F88-P276 VanDerWaalsContact CZ-CG 3.47Å; L232-P276 HydrophobicContact CB-CB 4.04Å; L232-P276 CarbonylContact O-C 3.6Å; L232-P276 WeakPolarHBondContact O-CA 3.24Å; L232-P276 WeakPolarHBondContact O-CB 3.36Å; F233-P276 HydrophobicContact CD1-CB 4.24Å; F233-P276 HydrophobicContact CD2-CB 4.37Å; F233-P276 HydrophobicContact CE1-CB 3.62Å; F233-P276 HydrophobicContact CE1-CG 3.99Å; F233-P276 HydrophobicContact CE2-CB 3.77Å; F233-P276 HydrophobicContact CE2-CG 4.24Å; F233-P276 HydrophobicContact CZ-CB 3.37Å; F233-P276 HydrophobicContact CZ-CG 3.54Å; L274-P276 WeakPolarHBondContact O-CD 3.39Å
277Y91.2Very high82Confident51 Ų5157.6 Ų57.620%0.228%0.276CS..PPolyproline II helixtrans-63.3149.3175.2-62.5-58000112.2L232 D234 A264 R265 K279L232-Y277 WeakPolarHBondContact O-CD2 3.2Å; L232-Y277 PolarHBondContact O-N 3.43Å; D234-Y277 WeakPolarHBondContact OD2-CE2 3.44Å; D234-Y277 VanDerWaalsContact OD2-CZ 3.25Å; D234-Y277 PolarHBondContact OD2-OH 2.89Å; A264-Y277 HydrophobicContact CB-CD1 4.34Å; A264-Y277 HydrophobicContact CB-CD2 4.18Å; A264-Y277 HydrophobicContact CB-CE1 4.18Å; A264-Y277 HydrophobicContact CB-CE2 4.03Å; A264-Y277 HydrophobicContact CB-CG 4.34Å; R265-Y277 HydrophobicContact CB-CD1 4.49Å; R265-Y277 HydrophobicContact CB-CE1 4.4Å; R265-Y277 HydrophobicContact CG-CD1 4.47Å; Y277-K279 VanDerWaalsContact C-N 3.34Å; Y277-K279 PolarHBondContact O-N 2.83Å; Y277-K279 VanDerWaalsContact O-N 3.08Å
278R92.4Very high81.1Confident66 Ų6658.2 Ų58.225%0.24928%0.283CS..  trans-81.582.1175-71.8176.7173.4-112-1109.2R14 T18 Y87R14-R278 PolarHBondContact O-NH2 3.2Å; T18-R278 PolarHBondContact OG1-NH2 3.35Å; Y87-R278 HydrophobicContact CD1-CG 4.05Å; Y87-R278 HydrophobicContact CD2-CG 4.03Å; Y87-R278 HydrophobicContact CE1-CB 4.4Å; Y87-R278 HydrophobicContact CE1-CG 3.57Å; Y87-R278 HydrophobicContact CE2-CG 3.53Å; Y87-R278 HydrophobicContact CG-CG 4.27Å
279K93.2Very high80Confident99 Ų9954.1 Ų54.143%0.4327%0.274SS..  trans-120.4145.2178.3-64.8-70.7-172.1166.10110.1F88 E231 L232 Y277F88-K279 CarbonylContact C-O 3.57Å; F88-K279 WeakPolarHBondContact CA-O 3.28Å; E231-K279 HydrophobicContact CB-CB 4.32Å; E231-K279 HydrophobicContact CB-CG 4.16Å; L232-K279 HydrophobicContact CD2-CB 4.06Å; Y277-K279 VanDerWaalsContact C-N 3.34Å; Y277-K279 PolarHBondContact O-N 2.83Å; Y277-K279 VanDerWaalsContact O-N 3.08Å
280P95.1Very high78.7Confident67 Ų6756.8 Ų56.844%0.43529%0.289SS..  trans-63139.7174.627.4-33.5000110.5F88 P89F88-P280 CarbonylContact O-C 3.51Å; F88-P280 WeakPolarHBondContact O-CA 3.44Å; P89-P280 HydrophobicContact CB-CB 4.43Å
281V95.7Very high77.3Confident0 Ų060.2 Ų60.20%031%0.307CS..EExtended strand (participates in β ladder)trans-129.4115.8176.1174.40000109.7F88 L90 E91 S226 F227 E229 L232F88-V281 PolarHBondContact O-N 3.03Å; L90-V281 WeakPolarHBondContact CA-O 3.19Å; L90-V281 HydrophobicContact CD2-CB 3.55Å; L90-V281 HydrophobicContact CD2-CG1 3.58Å; E91-V281 PolarHBondContact N-O 2.89Å; S226-V281 WeakPolarHBondContact OG-CG1 3.37Å; F227-V281 CarbonylContact O-C 3.5Å; F227-V281 VanDerWaalsContact O-CA 3.25Å; F227-V281 WeakPolarHBondContact O-CA 3.48Å; E229-V281 HydrophobicContact CG-CG1 4.34Å; L232-V281 HydrophobicContact CD1-CG2 4.21Å; L232-V281 HydrophobicContact CD2-CG2 3.81Å; L232-V281 HydrophobicContact CG-CG2 4.3Å
282H95.8Very high76.9Confident69 Ų6963 Ų6332%0.31932%0.323SS..EExtended strand (participates in β ladder)trans-114.6116.1-177.5-57.4-86.6000109.6E91 S226 F227E91-H282 IonicContact OE2-CE1 3.98Å; E91-H282 PolarHBondContact OE2-CE1 3.21Å; E91-H282 VanDerWaalsContact OE2-CE1 3.28Å; E91-H282 IonicContact OE2-ND1 2.64Å; E91-H282 PolarHBondContact OE2-ND1 3.39Å; S226-H282 CarbonylContact C-O 3.54Å; S226-H282 WeakPolarHBondContact CA-O 3.5Å; F227-H282 PolarHBondContact N-O 3.34Å; F227-H282 PolarHBondContact O-N 3.48Å
283T95.8Very high75.4Confident0 Ų059 Ų590%032%0.318CS..EExtended strand (participates in β ladder)trans-102.5123.7177.6-56.50000110.3E91 L92 V93 F108 N121 F122 V224 F225 S226E91-T283 PolarHBondContact O-N 3.02Å; L92-T283 HydrophobicContact CD1-CG2 3.95Å; V93-T283 PolarHBondContact N-O 2.81Å; F108-T283 HydrophobicContact CD2-CG2 4.44Å; F108-T283 HydrophobicContact CE2-CG2 4Å; N121-T283 WeakPolarHBondContact ND2-CB 3.49Å; N121-T283 PolarHBondContact ND2-OG1 3.3Å; F122-T283 HydrophobicContact CE2-CG2 4.48Å; F122-T283 HydrophobicContact CZ-CG2 4.24Å; V224-T283 HydrophobicContact CG1-CG2 3.32Å; F225-T283 CarbonylContact O-C 3.52Å; F225-T283 WeakPolarHBondContact O-CA 3.3Å; S226-T283 WeakPolarHBondContact CB-OG1 3.33Å; S226-T283 PolarHBondContact OG-OG1 3.16Å
284V93.4Very high73.5Confident41 Ų4165.7 Ų65.725%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-119.7124-179.8-171.70000108.7V93 T95 V224 F225 F227V93-V284 HydrophobicContact CB-CG2 4.12Å; V93-V284 HydrophobicContact CG2-CG2 4.33Å; T95-V284 HydrophobicContact CG2-CG1 3.61Å; V224-V284 WeakPolarHBondContact CA-O 3.27Å; F225-V284 PolarHBondContact N-O 3.19Å; F225-V284 PolarHBondContact O-N 3.18Å; F227-V284 HydrophobicContact CD2-CG2 4.35Å; F227-V284 HydrophobicContact CE2-CG2 4.11Å
285G83.9Confident71.1Confident14 Ų1466.9 Ų66.914%0.14436%0.362CS..EExtended strand (participates in β ladder)trans-99.2115.1170.300000109.7T95T95-G285 WeakPolarHBondContact CG2-O 3.43Å; T95-G285 PolarHBondContact OG1-O 2.87Å
286K74.1Confident68.5Low152 Ų15278.2 Ų78.266%0.66140%0.404SS*.  trans-98127176.8-169.4175.3-177.4177.80109P223 C288P223-K286 WeakPolarHBondContact CD-O 3.28Å; P223-K286 VanDerWaalsContact CG-O 3.23Å; P223-K286 WeakPolarHBondContact CG-O 3.45Å; P223-K286 PolarHBondContact O-N 3.33Å; K286-C288 PolarHBondContact O-N 2.76Å
287F54.8Low65.7Low58 Ų5884.1 Ų84.125%0.25444%0.44SS..  trans-75.8113.8172.4-156.6-111.8000109.2V96 L98 Y104 V222 C289V96-F287 HydrophobicContact CB-CB 4.21Å; V96-F287 HydrophobicContact CG2-CB 3.85Å; L98-F287 HydrophobicContact CD2-CD2 3.72Å; L98-F287 HydrophobicContact CD2-CE2 3.85Å; Y104-F287 HydrophobicContact CE1-CE2 4.1Å; V222-F287 HydrophobicContact CG2-CD2 3.96Å; V222-F287 HydrophobicContact CG2-CE2 4.11Å; F287-C289 HydrophobicContact CD1-CB 3.77Å; F287-C289 HydrophobicContact CE1-CB 3.39Å; F287-C289 WeakPolarHBondContact CE1-SG 3.39Å; F287-C289 HydrophobicContact CZ-CB 4.35Å
288C47.5Very low63.2Low71 Ų7187.1 Ų87.148%0.4847%0.469SS..  trans-102.7105.5156.3-161.10000104.5K286 L290K286-C288 PolarHBondContact O-N 2.76Å; C288-L290 PolarHBondContact O-N 2.93Å
289C43.3Very low60.2Low79 Ų7991 Ų9153%0.53449%0.494SS..  trans-68.276.4175.8-158.80000108.3F287 H291F287-C289 HydrophobicContact CD1-CB 3.77Å; F287-C289 HydrophobicContact CE1-CB 3.39Å; F287-C289 WeakPolarHBondContact CE1-SG 3.39Å; F287-C289 HydrophobicContact CZ-CB 4.35Å; C289-H291 PolarHBondContact O-N 3.21Å; C289-H291 VanDerWaalsContact O-N 3.08Å
290L47.1Very low57.6Low101 Ų10196.8 Ų96.853%0.52951%0.514SS..  trans-8081.9161.7-82.6162.5000104.9C288 V292C288-L290 PolarHBondContact O-N 2.93Å; L290-V292 HydrophobicContact CB-CG2 3.84Å; L290-V292 VanDerWaalsContact O-CG2 3.31Å; L290-V292 WeakPolarHBondContact O-CG2 3.36Å; L290-V292 PolarHBondContact O-N 2.98Å
291H45.2Very low54.7Low146 Ų146100 Ų10068%0.67653%0.532SS*.  trans-67.184.3167-150.984.5000106.5C289 G293C289-H291 PolarHBondContact O-N 3.21Å; C289-H291 VanDerWaalsContact O-N 3.08Å; H291-G293 PolarHBondContact O-N 3.17Å
292V50.8Low51.6Low72 Ų72111.9 Ų111.944%0.43658%0.577SS.*  trans-86.370-178.5-152.10000108.9L215 L290 L294L215-V292 HydrophobicContact CD2-CB 3.26Å; L215-V292 HydrophobicContact CD2-CG1 3Å; L215-V292 HydrophobicContact CD2-CG2 3.92Å; L215-V292 HydrophobicContact CG-CG1 4.45Å; L290-V292 HydrophobicContact CB-CG2 3.84Å; L290-V292 VanDerWaalsContact O-CG2 3.31Å; L290-V292 WeakPolarHBondContact O-CG2 3.36Å; L290-V292 PolarHBondContact O-N 2.98Å; V292-L294 PolarHBondContact O-N 2.88Å
293G40.5Very low48.8Very low44 Ų44120.7 Ų120.745%0.45461%0.608SS.*  trans-64.5124.8165.400000108.7H291 T295H291-G293 PolarHBondContact O-N 3.17Å; G293-T295 PolarHBondContact O-N 3.26Å
294L40.2Very low45.7Very low152 Ų152126.1 Ų126.180%0.79665%0.646SS**  trans-67.782.2155.2-81.4158.2000106.6V292 R296V292-L294 PolarHBondContact O-N 2.88Å; L294-R296 VanDerWaalsContact C-N 3.3Å; L294-R296 PolarHBondContact O-N 3.01Å
295T34Very low42.6Very low118 Ų118135.9 Ų135.972%0.72468%0.678SS**  trans-58.7104.4157.729.50000106G293 T297G293-T295 PolarHBondContact O-N 3.26Å; T295-T297 PolarHBondContact O-N 2.97Å
296R34.2Very low40.1Very low242 Ų242143.4 Ų143.491%0.91371%0.713SS**  trans-57.496.2158.5-91.2-177.6170.6179-2.2105.4L294 S298L294-R296 VanDerWaalsContact C-N 3.3Å; L294-R296 PolarHBondContact O-N 3.01Å; R296-S298 PolarHBondContact O-N 3.43Å
297T32.3Very low37.9Very low125 Ų125144.9 Ų144.977%0.76772%0.722SS**  trans-68.785.6167.645.60000107.1T295 D299T295-T297 PolarHBondContact O-N 2.97Å; T297-D299 PolarHBondContact O-N 3.3Å
298S37Very low36.9Very low114 Ų114146.9 Ų146.980%0.79774%0.741SS**  trans-76.575.2149.459.30000106.8R296R296-S298 PolarHBondContact O-N 3.43Å
299D30.3Very low36.2Very low147 Ų147150.7 Ų150.779%0.78676%0.757SS**  trans-151.1119152.3-138.2-10.3000111.4T297T297-D299 PolarHBondContact O-N 3.3Å
300R37.8Very low35.5Very low221 Ų221158.4 Ų158.483%0.83478%0.775SS**  trans-71.1151.3168.3-97.1173.5164.4176.2-5.2107
301T35.6Very low34.5Very low135 Ų135161.9 Ų161.983%0.82879%0.793SS**  trans66.191.4161.145.70000117.9
302R30.8Very low34.1Very low249 Ų249160.8 Ų160.894%0.9480%0.799SS**  -161.8109.8122.6-111.2173.7-171-150.42.4110.9
303R35.4Very low33.5Very low254 Ų254168 Ų16896%0.95884%0.842SS**  trans-63.4126.8160.2-77.2177.4173.7-177.6-2.8107.6
304S31Very low33.1Very low114 Ų114174.2 Ų174.280%0.79786%0.861SS**  trans-134.5136.8156.159.20000109.1
305R30Very low32.7Very low246 Ų246175.3 Ų175.393%0.92887%0.865SS**  trans-65.4142.6-171.4-69172.6-175.7-167.5-1.1110.6
306I30.1Very low32.7Very low171 Ų171178.5 Ų178.588%0.87787%0.873SS**  trans-92.5118.9162.8-61.7172.8000106
307E27.6Very low32.6Very low183 Ų183174.8 Ų174.886%0.85587%0.87SS**  trans-110134.6166.7-153.8165.4-142.200106.9
308P35.2Very low32.6Very low100 Ų100177.9 Ų177.965%0.64988%0.877SS**  trans-91139.3-176.835.4-29.7000110.8
309D31.6Very low32.3Very low152 Ų152182.1 Ų182.181%0.81388%0.882SS**  trans150130.9135.1-82.5-19.6000113.3
310R28.1Very low32.4Very low241 Ų241184.6 Ų184.691%0.90989%0.889SS**  trans141.2112.2131.4-73.9-172.1-164.7-171.14.9111.9
311L27.6Very low32Very low173 Ų173181.8 Ų181.891%0.90689%0.893SS**  trans-73.9141.8156.6-70162.3000108.8
312P35.9Very low31.7Very low124 Ų124185.8 Ų185.881%0.80590%0.899SS**  trans-97.2151.315727.4-14.1000111.7
313V37.7Very low31.8Very low222 Ų222180 Ų180100%1.34590%0.895SS**  trans-50.20-176.5-172.20000114.2

Retrieved 313 of 313 residues in 474.3 ms (Link to these results)

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