G4M078_SCHMA Loading...

Biotin-protein ligase

AlphaFold DB , UniProt , Accession G4M078, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 635 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
1M48.8Very low77Confident197 Ų19743.5 Ų43.597%0.9724%0.239SC*.  0142.30-77.1178.7172.600106.9N3M1-N3 VanDerWaalsContact O-CG 3.3Å; M1-N3 PolarHBondContact O-N 3.05Å; M1-N3 VanDerWaalsContact O-N 3.09Å; M1-N3 PolarHBondContact O-OD1 2.64Å
2S60.5Low77.6Confident23 Ų2345.3 Ų45.316%0.16125%0.248CC..  trans-62109.5177.348.80000108.6F110S2-F110 WeakPolarHBondContact O-CD1 3.22Å; S2-F110 WeakPolarHBondContact O-CE1 3.33Å
3N70Confident78.4Confident74 Ų7441.8 Ų41.840%0.39623%0.229SC..  trans-93.1-1.7-170.2-72-13.7000113.2M1M1-N3 VanDerWaalsContact O-CG 3.3Å; M1-N3 PolarHBondContact O-N 3.05Å; M1-N3 VanDerWaalsContact O-N 3.09Å; M1-N3 PolarHBondContact O-OD1 2.64Å
4T79.4Confident78.9Confident16 Ų1639.1 Ų39.110%0.09822%0.215CC..SBendtrans-151.9169.4179.279.10000111.3L8 E96 F110T4-L8 PolarHBondContact O-N 3.27Å; T4-E96 WeakPolarHBondContact CB-OE1 3.4Å; T4-E96 PolarHBondContact OG1-OE1 3.22Å; T4-F110 WeakPolarHBondContact O-CZ 3.08Å
5W86.5Confident79.2Confident1 Ų145.7 Ų45.70%0.00424%0.241CC..THydrogen-bonded Turntrans-65.2-41.2178.1-72.2102.7000112.3I7 L8 F13 S41 V94 E96 F110 L114 V117 L129 L131 L144W5-I7 VanDerWaalsContact C-N 3.27Å; W5-I7 PolarHBondContact O-N 3.29Å; W5-L8 HydrophobicContact CE3-CD2 4Å; W5-L8 HydrophobicContact CZ3-CD2 4.03Å; W5-L8 WeakPolarHBondContact O-CB 3.25Å; W5-L8 PolarHBondContact O-N 2.93Å; W5-L8 VanDerWaalsContact O-N 3.15Å; W5-F13 HydrophobicContact CZ3-CE1 4.29Å; W5-F13 HydrophobicContact CZ3-CE2 4.44Å; W5-F13 HydrophobicContact CZ3-CZ 4.05Å; W5-S41 PolarHBondContact NE1-OG 2.97Å; W5-V94 HydrophobicContact CZ2-CG1 4.32Å; W5-E96 PolarHBondContact N-OE1 3.45Å; W5-F110 HydrophobicContact CB-CE2 4.43Å; W5-F110 AromaticContact CD1-CE2 3.96Å; W5-F110 AromaticContact CD2-CE2 3.8Å; W5-F110 HydrophobicContact CD2-CE2 3.8Å; W5-F110 HydrophobicContact CD2-CZ 4.42Å; W5-F110 AromaticContact CE2-CE2 3.92Å; W5-F110 HydrophobicContact CE3-CE2 4.34Å; W5-F110 AromaticContact CG-CE2 3.83Å; W5-F110 HydrophobicContact CG-CE2 3.83Å; W5-F110 AromaticContact NE1-CE2 3.97Å; W5-L114 HydrophobicContact CH2-CB 4.44Å; W5-L114 HydrophobicContact CH2-CD1 3.57Å; W5-L114 HydrophobicContact CZ3-CD1 3.57Å; W5-V117 HydrophobicContact CH2-CB 3.97Å; W5-V117 HydrophobicContact CH2-CG1 3.93Å; W5-V117 HydrophobicContact CH2-CG2 4.01Å; W5-V117 HydrophobicContact CZ2-CB 4.39Å; W5-V117 HydrophobicContact CZ2-CG2 3.93Å; W5-L129 HydrophobicContact CB-CD1 4.04Å; W5-L129 HydrophobicContact CB-CD2 4.26Å; W5-L129 HydrophobicContact CD2-CD1 3.73Å; W5-L129 HydrophobicContact CD2-CD2 4.06Å; W5-L129 HydrophobicContact CE3-CD1 4.08Å; W5-L129 HydrophobicContact CE3-CD2 3.6Å; W5-L129 HydrophobicContact CG-CD1 3.7Å; W5-L129 HydrophobicContact CG-CD2 4.37Å; W5-L129 HydrophobicContact CZ3-CD2 4.28Å; W5-L131 HydrophobicContact CB-CD2 3.55Å; W5-L144 HydrophobicContact CE3-CD1 4.45Å
6S83.3Confident79.6Confident0 Ų045.3 Ų45.30%024%0.237CC..THydrogen-bonded Turntrans-58.8-36.9179.1-84.90000113.3E96 N132 S143 A145S6-E96 WeakPolarHBondContact CB-OE1 3.5Å; S6-E96 VanDerWaalsContact CB-OE2 3.27Å; S6-E96 WeakPolarHBondContact CB-OE2 3.37Å; S6-E96 PolarHBondContact N-OE1 3.03Å; S6-E96 PolarHBondContact N-OE2 2.7Å; S6-E96 VanDerWaalsContact OG-CD 3.28Å; S6-E96 PolarHBondContact OG-OE1 3.01Å; S6-E96 PolarHBondContact OG-OE2 3.21Å; S6-N132 PolarHBondContact OG-O 3.41Å; S6-S143 WeakPolarHBondContact O-CB 3.37Å; S6-A145 VanDerWaalsContact O-CB 3.29Å; S6-A145 WeakPolarHBondContact O-CB 3.32Å; S6-A145 PolarHBondContact O-N 2.9Å
7I81.1Confident79.8Confident69 Ų6942.6 Ų42.635%0.35422%0.223SC..THydrogen-bonded Turntrans-88.9-9.8-177.5-60.9164.8000111.9W5 C9 F100W5-I7 VanDerWaalsContact C-N 3.27Å; W5-I7 PolarHBondContact O-N 3.29Å; I7-C9 PolarHBondContact O-N 3.21Å; I7-F100 HydrophobicContact CD1-CE1 3.79Å; I7-F100 HydrophobicContact CD1-CZ 4.08Å
8L85.4Confident79.9Confident0 Ų041.3 Ų41.30%022%0.216CC..  trans-59.1124.8-179.3-176.961.1000110.5T4 W5 L10 N12 F13 F110 L114 S143 L144T4-L8 PolarHBondContact O-N 3.27Å; W5-L8 HydrophobicContact CE3-CD2 4Å; W5-L8 HydrophobicContact CZ3-CD2 4.03Å; W5-L8 WeakPolarHBondContact O-CB 3.25Å; W5-L8 PolarHBondContact O-N 2.93Å; W5-L8 VanDerWaalsContact O-N 3.15Å; L8-L10 PolarHBondContact O-N 2.73Å; L8-N12 HydrophobicContact CD1-CB 4.45Å; L8-F13 HydrophobicContact CD2-CB 3.78Å; L8-F13 HydrophobicContact CD2-CD1 4.04Å; L8-F13 HydrophobicContact CD2-CD2 4.29Å; L8-F13 HydrophobicContact CD2-CG 3.8Å; L8-F13 HydrophobicContact CG-CB 4.18Å; L8-F110 HydrophobicContact CB-CZ 4.2Å; L8-F110 HydrophobicContact CD1-CE1 4.22Å; L8-F110 HydrophobicContact CD1-CZ 4.23Å; L8-F110 HydrophobicContact CD2-CZ 4.18Å; L8-F110 HydrophobicContact CG-CZ 4.43Å; L8-L114 HydrophobicContact CD1-CD2 4.15Å; L8-L114 HydrophobicContact CD2-CD1 3.79Å; L8-L114 HydrophobicContact CD2-CD2 4.3Å; L8-S143 WeakPolarHBondContact O-CA 3.28Å; L8-L144 HydrophobicContact CB-CD1 4.1Å; L8-L144 HydrophobicContact CB-CG 4.34Å; L8-L144 HydrophobicContact CD2-CD1 4.11Å; L8-L144 HydrophobicContact CG-CD1 4.44Å; L8-L144 WeakPolarHBondContact O-CG 3.14Å; L8-L144 PolarHBondContact O-N 3.07Å
9C85Confident79.9Confident32 Ų3241.8 Ų41.822%0.21623%0.227CC..BIsolated β-bridgetrans-70.2129.2176.1179.10000110.1I7 S11 N12 F13 T142I7-C9 PolarHBondContact O-N 3.21Å; C9-S11 PolarHBondContact O-N 2.66Å; C9-S11 PolarHBondContact SG-OG 2.94Å; C9-N12 HydrophobicContact CB-CB 4.06Å; C9-N12 WeakPolarHBondContact O-CA 3.46Å; C9-N12 WeakPolarHBondContact O-CB 3.43Å; C9-N12 PolarHBondContact O-N 3.5Å; C9-F13 PolarHBondContact O-N 3.2Å; C9-T142 CarbonylContact C-O 3.59Å; C9-T142 WeakPolarHBondContact CA-O 3.45Å
10L84.5Confident79.9Confident16 Ų1641.2 Ų41.28%0.08423%0.225CC..Hα-helixtrans-51.5-42.9179-168.274.4000112L8 N12 F13 S14 T142 L144 Y147 L157 W167 L174L8-L10 PolarHBondContact O-N 2.73Å; L10-N12 PolarHBondContact O-N 3.35Å; L10-F13 PolarHBondContact O-N 3.05Å; L10-S14 WeakPolarHBondContact O-CB 3.35Å; L10-S14 PolarHBondContact O-N 3.21Å; L10-S14 PolarHBondContact O-OG 2.72Å; L10-T142 WeakPolarHBondContact CB-O 3.48Å; L10-T142 PolarHBondContact N-O 3.36Å; L10-L144 HydrophobicContact CD1-CD2 3.53Å; L10-Y147 HydrophobicContact CB-CE2 4.34Å; L10-Y147 HydrophobicContact CD2-CD2 4.31Å; L10-Y147 HydrophobicContact CD2-CE2 3.83Å; L10-L157 HydrophobicContact CD2-CD2 3.61Å; L10-W167 HydrophobicContact CD1-CD2 3.41Å; L10-W167 VanDerWaalsContact CD1-CD2 3.41Å; L10-W167 HydrophobicContact CD1-CE3 3.9Å; L10-W167 HydrophobicContact CD1-CG 3.76Å; L10-W167 HydrophobicContact CD1-CH2 4.24Å; L10-W167 HydrophobicContact CD1-CZ2 3.78Å; L10-W167 HydrophobicContact CD1-CZ3 4.28Å; L10-W167 HydrophobicContact CD2-CB 4.44Å; L10-W167 HydrophobicContact CD2-CG 4.06Å; L10-W167 HydrophobicContact CG-CD2 4.17Å; L10-W167 HydrophobicContact CG-CG 4.05Å; L10-L174 HydrophobicContact CD1-CD1 4.48Å; L10-L174 HydrophobicContact CD1-CD2 3.8Å
11S82.8Confident79.5Confident50 Ų5039.6 Ų39.635%0.3522%0.216SC..Hα-helixtrans-67.9-33.7178.670.50000112.9C9 K15C9-S11 PolarHBondContact O-N 2.66Å; C9-S11 PolarHBondContact SG-OG 2.94Å; S11-K15 VanDerWaalsContact O-CG 3.29Å; S11-K15 WeakPolarHBondContact O-CG 3.45Å; S11-K15 PolarHBondContact O-N 3.38Å; S11-K15 VanDerWaalsContact O-N 3.07Å
12N84.5Confident80.4Confident65 Ų6538 Ų3835%0.34820%0.203SC..Hα-helixtrans-69.2-45177.3-169.231.3000110.6L8 C9 L10 S14 K15 Q16L8-N12 HydrophobicContact CD1-CB 4.45Å; C9-N12 HydrophobicContact CB-CB 4.06Å; C9-N12 WeakPolarHBondContact O-CA 3.46Å; C9-N12 WeakPolarHBondContact O-CB 3.43Å; C9-N12 PolarHBondContact O-N 3.5Å; L10-N12 PolarHBondContact O-N 3.35Å; N12-S14 VanDerWaalsContact C-N 3.34Å; N12-S14 PolarHBondContact O-N 3.44Å; N12-K15 PolarHBondContact O-N 3.07Å; N12-Q16 PolarHBondContact O-N 3.28Å
13F87.9Confident80.4Confident0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-60.7-44.9176.7-167.8-169.8000111.7W5 L8 C9 L10 K15 Q16 L17 L114 T118 I121 L144 W167 I198W5-F13 HydrophobicContact CZ3-CE1 4.29Å; W5-F13 HydrophobicContact CZ3-CE2 4.44Å; W5-F13 HydrophobicContact CZ3-CZ 4.05Å; L8-F13 HydrophobicContact CD2-CB 3.78Å; L8-F13 HydrophobicContact CD2-CD1 4.04Å; L8-F13 HydrophobicContact CD2-CD2 4.29Å; L8-F13 HydrophobicContact CD2-CG 3.8Å; L8-F13 HydrophobicContact CG-CB 4.18Å; C9-F13 PolarHBondContact O-N 3.2Å; L10-F13 PolarHBondContact O-N 3.05Å; F13-K15 PolarHBondContact O-N 3.18Å; F13-Q16 PolarHBondContact O-N 3.34Å; F13-L17 HydrophobicContact CD2-CD1 3.94Å; F13-L17 HydrophobicContact CD2-CG 4.2Å; F13-L17 HydrophobicContact CE2-CD1 3.79Å; F13-L17 HydrophobicContact CE2-CD2 4.5Å; F13-L17 HydrophobicContact CE2-CG 4.06Å; F13-L17 HydrophobicContact CG-CD1 4.47Å; F13-L17 HydrophobicContact CZ-CD1 4.21Å; F13-L17 PolarHBondContact O-N 3.28Å; F13-L17 VanDerWaalsContact O-N 3.09Å; F13-L114 HydrophobicContact CD2-CD1 3.75Å; F13-L114 HydrophobicContact CE2-CD1 3.74Å; F13-T118 HydrophobicContact CD2-CG2 4.19Å; F13-T118 HydrophobicContact CE2-CG2 3.72Å; F13-I121 HydrophobicContact CZ-CD1 4.49Å; F13-L144 HydrophobicContact CD1-CD1 4.17Å; F13-L144 HydrophobicContact CD1-CD2 4.39Å; F13-L144 HydrophobicContact CE1-CD1 4.47Å; F13-W167 HydrophobicContact CB-CZ2 4.5Å; F13-W167 AromaticContact CD1-CH2 3.59Å; F13-W167 HydrophobicContact CD1-CH2 3.59Å; F13-W167 AromaticContact CD1-CZ2 3.61Å; F13-W167 HydrophobicContact CD1-CZ2 3.61Å; F13-W167 AromaticContact CE1-CH2 3.71Å; F13-W167 HydrophobicContact CE1-CH2 3.71Å; F13-W167 HydrophobicContact CE1-CZ2 4.14Å; F13-W167 HydrophobicContact CG-CZ2 4.23Å; F13-I198 HydrophobicContact CE1-CD1 3.65Å; F13-I198 HydrophobicContact CZ-CD1 3.73Å
14S84.7Confident79.6Confident4 Ų444.5 Ų44.53%0.02823%0.231CC..Hα-helixtrans-58.5-45.2176.7-51.20000112L10 N12 Q16 L17 N18 W167L10-S14 WeakPolarHBondContact O-CB 3.35Å; L10-S14 PolarHBondContact O-N 3.21Å; L10-S14 PolarHBondContact O-OG 2.72Å; N12-S14 VanDerWaalsContact C-N 3.34Å; N12-S14 PolarHBondContact O-N 3.44Å; S14-Q16 VanDerWaalsContact C-N 3.29Å; S14-Q16 PolarHBondContact O-N 2.82Å; S14-L17 PolarHBondContact O-N 3.18Å; S14-N18 PolarHBondContact O-N 3.46Å; S14-N18 PolarHBondContact O-ND2 3.25Å; S14-W167 PolarHBondContact OG-NE1 3.22Å
15K84Confident77.9Confident138 Ų13849.1 Ų49.160%0.625%0.254SS*.Hα-helixtrans-59.3-40.7178.6-78173.6-178.9-179.80111.9S11 N12 F13 A19S11-K15 VanDerWaalsContact O-CG 3.29Å; S11-K15 WeakPolarHBondContact O-CG 3.45Å; S11-K15 PolarHBondContact O-N 3.38Å; S11-K15 VanDerWaalsContact O-N 3.07Å; N12-K15 PolarHBondContact O-N 3.07Å; F13-K15 PolarHBondContact O-N 3.18Å; K15-A19 PolarHBondContact O-N 3.27Å
16Q84.5Confident75.7Confident39 Ų3952.1 Ų52.118%0.18228%0.276CS..Hα-helixtrans-67.5-45.1178.8-167.4167.7-10.200112.2N12 F13 S14 N18 A19 V20 T118N12-Q16 PolarHBondContact O-N 3.28Å; F13-Q16 PolarHBondContact O-N 3.34Å; S14-Q16 VanDerWaalsContact C-N 3.29Å; S14-Q16 PolarHBondContact O-N 2.82Å; Q16-N18 PolarHBondContact O-N 3.09Å; Q16-A19 WeakPolarHBondContact O-CB 3.5Å; Q16-A19 PolarHBondContact O-N 3.39Å; Q16-A19 VanDerWaalsContact O-N 3.11Å; Q16-V20 WeakPolarHBondContact O-CG2 3.28Å; Q16-V20 PolarHBondContact O-N 3.49Å; Q16-T118 HydrophobicContact CB-CG2 4.39Å; Q16-T118 HydrophobicContact CG-CG2 3.98Å
17L84.4Confident73.5Confident0 Ų057.5 Ų57.50%030%0.302CS..Hα-helixtrans-58.9-47.1176.1-74.8164000111.8F13 S14 A19 V20 F21 T118 I121 W165F13-L17 HydrophobicContact CD2-CD1 3.94Å; F13-L17 HydrophobicContact CD2-CG 4.2Å; F13-L17 HydrophobicContact CE2-CD1 3.79Å; F13-L17 HydrophobicContact CE2-CD2 4.5Å; F13-L17 HydrophobicContact CE2-CG 4.06Å; F13-L17 HydrophobicContact CG-CD1 4.47Å; F13-L17 HydrophobicContact CZ-CD1 4.21Å; F13-L17 PolarHBondContact O-N 3.28Å; F13-L17 VanDerWaalsContact O-N 3.09Å; S14-L17 PolarHBondContact O-N 3.18Å; L17-A19 PolarHBondContact O-N 3.2Å; L17-V20 PolarHBondContact O-N 3.27Å; L17-F21 HydrophobicContact CB-CD2 4.46Å; L17-F21 HydrophobicContact CD2-CE2 4.3Å; L17-F21 VanDerWaalsContact O-CD2 3.28Å; L17-F21 WeakPolarHBondContact O-CD2 3.29Å; L17-F21 PolarHBondContact O-N 3.42Å; L17-T118 HydrophobicContact CD2-CG2 3.76Å; L17-T118 HydrophobicContact CG-CG2 3.97Å; L17-I121 HydrophobicContact CD2-CB 4.09Å; L17-I121 HydrophobicContact CD2-CD1 4.07Å; L17-I121 HydrophobicContact CD2-CG2 3.86Å; L17-W165 HydrophobicContact CB-CD2 4.28Å; L17-W165 HydrophobicContact CB-CE3 4.13Å; L17-W165 HydrophobicContact CD1-CD2 3.66Å; L17-W165 VanDerWaalsContact CD1-CE2 3.45Å; L17-W165 HydrophobicContact CD1-CE3 3.87Å; L17-W165 HydrophobicContact CD1-CG 4.34Å; L17-W165 HydrophobicContact CD1-CH2 3.69Å; L17-W165 HydrophobicContact CD1-CZ2 3.47Å; L17-W165 VanDerWaalsContact CD1-CZ2 3.47Å; L17-W165 HydrophobicContact CD1-CZ3 3.88Å; L17-W165 HydrophobicContact CD2-CH2 4.49Å; L17-W165 HydrophobicContact CD2-CZ3 4.31Å; L17-W165 HydrophobicContact CG-CE3 4.45Å; L17-W165 HydrophobicContact CG-CZ3 4.5Å
18N80.2Confident71.3Confident19 Ų1959 Ų5910%0.10232%0.315CS..Hα-helixtrans-58.4-34.9176.4-71.9-62.7000112.7S14 Q16 V20 K22 S163 Y164 W165S14-N18 PolarHBondContact O-N 3.46Å; S14-N18 PolarHBondContact O-ND2 3.25Å; Q16-N18 PolarHBondContact O-N 3.09Å; N18-V20 VanDerWaalsContact C-N 3.35Å; N18-K22 VanDerWaalsContact O-CG 3.31Å; N18-K22 WeakPolarHBondContact O-CG 3.38Å; N18-K22 PolarHBondContact O-N 3.4Å; N18-S163 WeakPolarHBondContact ND2-CB 3.41Å; N18-Y164 PolarHBondContact OD1-N 2.61Å; N18-W165 PolarHBondContact OD1-N 2.93Å
19A81.3Confident68.7Low52 Ų5266.1 Ų66.143%0.4335%0.353SS..Hα-helixtrans-68.4-33.1177.200000112.8K15 Q16 L17K15-A19 PolarHBondContact O-N 3.27Å; Q16-A19 WeakPolarHBondContact O-CB 3.5Å; Q16-A19 PolarHBondContact O-N 3.39Å; Q16-A19 VanDerWaalsContact O-N 3.11Å; L17-A19 PolarHBondContact O-N 3.2Å
20V79Confident66.4Low29 Ų2972.9 Ų72.918%0.17637%0.374CS..Hα-helixtrans-77.7-46.5178-175.70000111.2Q16 L17 N18 K22 K23 S24 E119 A122Q16-V20 WeakPolarHBondContact O-CG2 3.28Å; Q16-V20 PolarHBondContact O-N 3.49Å; L17-V20 PolarHBondContact O-N 3.27Å; N18-V20 VanDerWaalsContact C-N 3.35Å; V20-K22 PolarHBondContact O-N 2.94Å; V20-K23 PolarHBondContact O-N 2.87Å; V20-S24 PolarHBondContact O-N 3.23Å; V20-E119 HydrophobicContact CG1-CG 4.35Å; V20-A122 HydrophobicContact CB-CB 4.2Å; V20-A122 HydrophobicContact CG1-CB 3.31Å
21F72.5Confident64.1Low7 Ų779 Ų793%0.03140%0.404CS..Hα-helixtrans-60.8-32.6178.2-81.9-75.6000112.8L17 K23 I121 A122 W165 Y178 L197L17-F21 HydrophobicContact CB-CD2 4.46Å; L17-F21 HydrophobicContact CD2-CE2 4.3Å; L17-F21 VanDerWaalsContact O-CD2 3.28Å; L17-F21 WeakPolarHBondContact O-CD2 3.29Å; L17-F21 PolarHBondContact O-N 3.42Å; F21-K23 PolarHBondContact O-N 3.39Å; F21-I121 HydrophobicContact CE2-CG2 4.1Å; F21-I121 HydrophobicContact CZ-CG2 4Å; F21-A122 HydrophobicContact CD1-CB 4.45Å; F21-A122 HydrophobicContact CE1-CB 4.34Å; F21-A122 HydrophobicContact CZ-CB 4.38Å; F21-W165 AromaticContact CE2-CE3 3.96Å; F21-W165 HydrophobicContact CE2-CE3 3.96Å; F21-W165 AromaticContact CE2-CZ3 3.77Å; F21-W165 HydrophobicContact CE2-CZ3 3.77Å; F21-W165 HydrophobicContact CZ-CZ3 4.28Å; F21-Y178 HydrophobicContact CB-CD2 3.88Å; F21-Y178 HydrophobicContact CB-CE2 3.33Å; F21-Y178 HydrophobicContact CD1-CD1 4.09Å; F21-Y178 AromaticContact CD1-CD2 3.85Å; F21-Y178 HydrophobicContact CD1-CD2 3.85Å; F21-Y178 HydrophobicContact CD1-CE1 4.27Å; F21-Y178 HydrophobicContact CD1-CE2 4.02Å; F21-Y178 AromaticContact CD1-CG 3.88Å; F21-Y178 HydrophobicContact CD1-CG 3.88Å; F21-Y178 AromaticContact CD2-CD2 3.43Å; F21-Y178 HydrophobicContact CD2-CD2 3.43Å; F21-Y178 VanDerWaalsContact CD2-CD2 3.43Å; F21-Y178 AromaticContact CD2-CE2 3.83Å; F21-Y178 HydrophobicContact CD2-CE2 3.83Å; F21-Y178 HydrophobicContact CD2-CG 4.08Å; F21-Y178 HydrophobicContact CE1-CD1 4.28Å; F21-Y178 HydrophobicContact CE1-CD2 4.23Å; F21-Y178 AromaticContact CE1-CG 3.93Å; F21-Y178 HydrophobicContact CE1-CG 3.93Å; F21-Y178 AromaticContact CE2-CD2 3.87Å; F21-Y178 HydrophobicContact CE2-CD2 3.87Å; F21-Y178 HydrophobicContact CE2-CG 4.15Å; F21-Y178 HydrophobicContact CG-CD1 4.47Å; F21-Y178 AromaticContact CG-CD2 3.44Å; F21-Y178 HydrophobicContact CG-CD2 3.44Å; F21-Y178 VanDerWaalsContact CG-CD2 3.44Å; F21-Y178 AromaticContact CG-CE2 3.46Å; F21-Y178 HydrophobicContact CG-CE2 3.46Å; F21-Y178 VanDerWaalsContact CG-CE2 3.46Å; F21-Y178 AromaticContact CG-CG 3.96Å; F21-Y178 HydrophobicContact CG-CG 3.96Å; F21-Y178 HydrophobicContact CZ-CD2 4.25Å; F21-Y178 HydrophobicContact CZ-CG 4.08Å; F21-L197 HydrophobicContact CZ-CD1 3.79Å
22K67.7Low62.4Low163 Ų16377.9 Ų77.971%0.70940%0.396SS*.THydrogen-bonded Turntrans-62.5-22.2172.2-79.4-179.5-179.3-174.80114.1N18 V20N18-K22 VanDerWaalsContact O-CG 3.31Å; N18-K22 WeakPolarHBondContact O-CG 3.38Å; N18-K22 PolarHBondContact O-N 3.4Å; V20-K22 PolarHBondContact O-N 2.94Å
23K60.3Low60.8Low188 Ų18877 Ų7782%0.81739%0.391SS*.THydrogen-bonded Turntrans-101.5-14.8-175.6-69.4-177.2178.7179.30114V20 F21V20-K23 PolarHBondContact O-N 2.87Å; F21-K23 PolarHBondContact O-N 3.39Å
24S52.2Low59.5Low46 Ų4678 Ų7832%0.32240%0.396SS..  trans-152.6107.3-172.9-168.10000110.6V20V20-S24 PolarHBondContact O-N 3.23Å
25L43.3Very low58.6Low113 Ų11379.1 Ų79.159%0.59240%0.402SS*.  trans-110.496.7162.8-111.692.8000107.9
26S41.3Very low58.3Low65 Ų6572.6 Ų72.646%0.45537%0.373SS..  trans-135.683.6157.275.10000108.7T28S26-T28 PolarHBondContact O-N 3.21Å
27M36.3Very low58.1Low112 Ų11271.9 Ų71.955%0.55237%0.369SS*.  trans-79.297.2169.5-66.9-133.594.100108.3
28T34.5Very low58Low101 Ų10172.2 Ų72.262%0.6237%0.371SS*.  trans-103100164.643.20000108.3S26 R30S26-T28 PolarHBondContact O-N 3.21Å; T28-R30 VanDerWaalsContact C-N 3.28Å; T28-R30 PolarHBondContact O-N 2.97Å
29N32.4Very low58Low150 Ų15071.5 Ų71.580%0.80237%0.367SS*.  trans-75.982.9176.8-142.72.1000108.2
30R36.3Very low57.7Low174 Ų17470.6 Ų70.666%0.65736%0.355SS*.  trans-97.5111.8176.7-76-168.7-179-166.13.7109.9T28 S32 K90T28-R30 VanDerWaalsContact C-N 3.28Å; T28-R30 PolarHBondContact O-N 2.97Å; R30-S32 PolarHBondContact O-N 3.47Å; R30-K90 WeakPolarHBondContact O-CE 3.32Å
31M35.8Very low57.4Low143 Ų14369.2 Ų69.270%0.70435%0.347SS*.  trans-90.334-170.3-135179.9-178.600114.2K90 R517M31-K90 PolarHBondContact O-NZ 3.5Å; M31-R517 VanDerWaalsContact C-CZ 3.4Å; M31-R517 PolarHBondContact O-NE 3.2Å; M31-R517 PolarHBondContact O-NH2 3.05Å; M31-R517 VanDerWaalsContact O-NH2 3.07Å
32S47.5Very low57.1Low28 Ų2869.1 Ų69.120%0.19635%0.346CS..  trans-88.6158.3177.940.20000114.3R30 K90 E498 R517R30-S32 PolarHBondContact O-N 3.47Å; S32-K90 WeakPolarHBondContact O-CD 3.04Å; S32-K90 WeakPolarHBondContact O-CE 3.21Å; S32-K90 PolarHBondContact O-NZ 2.76Å; S32-E498 PolarHBondContact OG-OE1 2.87Å; S32-R517 VanDerWaalsContact CA-NH1 3.35Å; S32-R517 VanDerWaalsContact N-NH2 3.17Å
33L50.7Low56.7Low46 Ų4662.7 Ų62.724%0.24133%0.327CS..  trans-11.5129.4-178.2-81157.8000117.5N35 F496L33-N35 PolarHBondContact O-N 3.49Å; L33-F496 HydrophobicContact CD1-CB 3.57Å; L33-F496 HydrophobicContact CD1-CD1 3.47Å; L33-F496 VanDerWaalsContact CD1-CD1 3.47Å; L33-F496 HydrophobicContact CD1-CE1 4.3Å; L33-F496 HydrophobicContact CD1-CG 3.64Å; L33-F496 HydrophobicContact CG-CD1 4.48Å
34I60.5Low56.4Low21 Ų2154.5 Ų54.511%0.10830%0.296CS..EExtended strand (participates in β ladder)trans-7995-175.9-49.5179.6000110I36 T69 A70 L71 K90 L91 I222I34-I36 HydrophobicContact CB-CG1 4.43Å; I34-I36 HydrophobicContact CG2-CD1 4.23Å; I34-I36 HydrophobicContact CG2-CG1 3.52Å; I34-I36 PolarHBondContact O-N 3.39Å; I34-I36 VanDerWaalsContact O-N 3.14Å; I34-T69 PolarHBondContact N-O 3.23Å; I34-A70 HydrophobicContact CB-CB 4.06Å; I34-A70 CarbonylContact O-C 3.24Å; I34-A70 WeakPolarHBondContact O-CA 3.38Å; I34-L71 PolarHBondContact O-N 3.09Å; I34-K90 HydrophobicContact CB-CB 4.29Å; I34-K90 HydrophobicContact CB-CD 4.18Å; I34-K90 HydrophobicContact CG1-CD 3.83Å; I34-K90 HydrophobicContact CG2-CB 3.66Å; I34-K90 HydrophobicContact CG2-CD 4.37Å; I34-L91 HydrophobicContact CG2-CB 4.4Å; I34-I222 HydrophobicContact CD1-CB 4.45Å; I34-I222 HydrophobicContact CD1-CG1 4.3Å; I34-I222 HydrophobicContact CD1-CG2 3.87Å
35N66.7Low56.1Low28 Ų2857.8 Ų57.815%0.1531%0.314CS..EExtended strand (participates in β ladder)trans-70.2109.6161-60.3-45000107.8L33 Y37 L71 Y73 S88 K90 L91L33-N35 PolarHBondContact O-N 3.49Å; N35-Y37 HydrophobicContact CB-CD2 4.28Å; N35-Y37 HydrophobicContact CB-CE2 3.63Å; N35-L71 WeakPolarHBondContact CA-O 3.31Å; N35-Y73 HydrophobicContact CB-CD2 4.1Å; N35-Y73 HydrophobicContact CB-CE2 3.71Å; N35-Y73 WeakPolarHBondContact OD1-CE2 3.3Å; N35-Y73 PolarHBondContact OD1-OH 3.03Å; N35-S88 WeakPolarHBondContact CB-O 3.49Å; N35-S88 PolarHBondContact ND2-O 2.87Å; N35-K90 PolarHBondContact O-N 3.2Å; N35-L91 PolarHBondContact O-N 2.99Å
36I76.4Confident56.3Low0 Ų055.6 Ų55.60%030%0.302CS..EExtended strand (participates in β ladder)trans-94.4103.1174.2-58-178.4000107.1I34 I61 V65 A70 L71 L72 Y73 L91 V93I34-I36 HydrophobicContact CB-CG1 4.43Å; I34-I36 HydrophobicContact CG2-CD1 4.23Å; I34-I36 HydrophobicContact CG2-CG1 3.52Å; I34-I36 PolarHBondContact O-N 3.39Å; I34-I36 VanDerWaalsContact O-N 3.14Å; I36-I61 HydrophobicContact CD1-CG2 4.22Å; I36-V65 HydrophobicContact CD1-CB 4.42Å; I36-V65 HydrophobicContact CD1-CG1 4.22Å; I36-V65 HydrophobicContact CD1-CG2 3.91Å; I36-A70 HydrophobicContact CD1-CB 3.55Å; I36-A70 HydrophobicContact CG1-CB 3.98Å; I36-L71 PolarHBondContact N-O 2.96Å; I36-L72 HydrophobicContact CB-CG 4.1Å; I36-L72 HydrophobicContact CD1-CD1 4.34Å; I36-L72 HydrophobicContact CG2-CG 4.27Å; I36-L72 CarbonylContact O-C 3.6Å; I36-L72 VanDerWaalsContact O-CA 3.27Å; I36-L72 WeakPolarHBondContact O-CA 3.49Å; I36-Y73 PolarHBondContact O-N 3.36Å; I36-L91 CarbonylContact C-O 3.54Å; I36-L91 WeakPolarHBondContact CA-O 3.45Å; I36-L91 HydrophobicContact CB-CB 4.44Å; I36-L91 HydrophobicContact CD1-CD2 4.21Å; I36-L91 HydrophobicContact CG1-CB 4.1Å; I36-L91 HydrophobicContact CG1-CD2 4.22Å; I36-L91 HydrophobicContact CG2-CB 4.25Å; I36-L91 HydrophobicContact CG2-CD2 3.81Å; I36-L91 HydrophobicContact CG2-CG 4.16Å; I36-V93 HydrophobicContact CG2-CG2 3.69Å
37Y80.5Confident56.4Low25 Ų2557.3 Ų57.310%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-86.2145173.3-69.9-78.4000109.9N35 Y73 L75 W85 S88 G89 L91 L92 V93N35-Y37 HydrophobicContact CB-CD2 4.28Å; N35-Y37 HydrophobicContact CB-CE2 3.63Å; Y37-Y73 CarbonylContact C-O 3.54Å; Y37-Y73 VanDerWaalsContact CA-O 3.24Å; Y37-Y73 WeakPolarHBondContact CA-O 3.43Å; Y37-Y73 VanDerWaalsContact CD1-CB 3.43Å; Y37-Y73 HydrophobicContact CD1-CD2 4.25Å; Y37-Y73 HydrophobicContact CD1-CG 4.12Å; Y37-Y73 AromaticContact CE1-CD2 3.87Å; Y37-Y73 HydrophobicContact CE1-CD2 3.87Å; Y37-Y73 AromaticContact CE1-CG 3.74Å; Y37-Y73 HydrophobicContact CE1-CG 3.74Å; Y37-L75 HydrophobicContact CD1-CD1 4.06Å; Y37-L75 HydrophobicContact CD1-CD2 3.49Å; Y37-L75 VanDerWaalsContact CD1-CD2 3.49Å; Y37-L75 HydrophobicContact CD1-CG 3.69Å; Y37-L75 HydrophobicContact CE1-CD2 4Å; Y37-L75 HydrophobicContact CG-CD1 4.09Å; Y37-L75 HydrophobicContact CG-CD2 4.32Å; Y37-L75 HydrophobicContact CG-CG 4.19Å; Y37-W85 HydrophobicContact CD1-CB 4.02Å; Y37-W85 HydrophobicContact CD2-CB 4.28Å; Y37-W85 AromaticContact CD2-CE3 3.79Å; Y37-W85 HydrophobicContact CD2-CE3 3.79Å; Y37-W85 HydrophobicContact CE1-CB 3.76Å; Y37-W85 HydrophobicContact CE2-CB 4Å; Y37-W85 HydrophobicContact CE2-CE3 4.39Å; Y37-W85 HydrophobicContact CG-CB 4.28Å; Y37-W85 HydrophobicContact CG-CD2 4.49Å; Y37-W85 HydrophobicContact CG-CE3 4Å; Y37-S88 PolarHBondContact OH-OG 2.88Å; Y37-G89 VanDerWaalsContact CD2-CA 3.49Å; Y37-L91 PolarHBondContact N-O 2.51Å; Y37-L92 CarbonylContact O-C 3.47Å; Y37-L92 WeakPolarHBondContact O-CA 3.39Å; Y37-V93 PolarHBondContact O-N 3.18Å
38Y83.3Confident56.8Low7 Ų757 Ų573%0.02732%0.319CS..EExtended strand (participates in β ladder)trans-135.8139.7174.961.1-83.2000112Y54 V58 L72 Y73 P74 L75 V93Y38-Y54 HydrophobicContact CD2-CE1 4.12Å; Y38-Y54 HydrophobicContact CD2-CE2 4.29Å; Y38-Y54 AromaticContact CD2-CZ 3.52Å; Y38-Y54 WeakPolarHBondContact CD2-OH 3.38Å; Y38-Y54 AromaticContact CE2-CE1 3.66Å; Y38-Y54 HydrophobicContact CE2-CE1 3.66Å; Y38-Y54 AromaticContact CE2-CZ 3.48Å; Y38-Y54 VanDerWaalsContact CE2-CZ 3.48Å; Y38-Y54 WeakPolarHBondContact CE2-OH 3.41Å; Y38-V58 HydrophobicContact CD2-CG2 3.95Å; Y38-V58 HydrophobicContact CE1-CG1 4.41Å; Y38-V58 HydrophobicContact CE2-CG1 4.48Å; Y38-V58 HydrophobicContact CE2-CG2 3.67Å; Y38-L72 HydrophobicContact CD1-CB 4.38Å; Y38-L72 HydrophobicContact CE1-CB 3.97Å; Y38-Y73 VanDerWaalsContact CD1-O 3.26Å; Y38-Y73 WeakPolarHBondContact CD1-O 3.41Å; Y38-Y73 PolarHBondContact N-O 3.45Å; Y38-P74 HydrophobicContact CD2-CB 4.15Å; Y38-P74 HydrophobicContact CE1-CB 4Å; Y38-P74 VanDerWaalsContact CE1-CD 3.49Å; Y38-P74 HydrophobicContact CE1-CG 4.28Å; Y38-P74 HydrophobicContact CE2-CB 3.52Å; Y38-P74 HydrophobicContact CE2-CG 4.37Å; Y38-P74 VanDerWaalsContact CZ-CB 3.41Å; Y38-P74 VanDerWaalsContact CZ-CD 3.49Å; Y38-P74 CarbonylContact O-C 3.52Å; Y38-P74 WeakPolarHBondContact O-CA 3.43Å; Y38-P74 VanDerWaalsContact OH-CD 3.3Å; Y38-P74 WeakPolarHBondContact OH-CD 3.29Å; Y38-P74 WeakPolarHBondContact OH-CG 3.39Å; Y38-L75 PolarHBondContact O-N 3.38Å; Y38-V93 CarbonylContact C-O 3.54Å; Y38-V93 WeakPolarHBondContact CA-O 3.46Å
39V79.8Confident57.3Low4 Ų457.8 Ų57.82%0.02433%0.326CS..EExtended strand (participates in β ladder)trans-141143.4-17266.40000110.9L75 F80 L92 V93 V94 L95V39-L75 HydrophobicContact CB-CB 4.31Å; V39-L75 HydrophobicContact CG2-CB 4.47Å; V39-F80 HydrophobicContact CB-CD2 4.16Å; V39-F80 HydrophobicContact CG1-CD2 4.04Å; V39-F80 HydrophobicContact CG1-CE2 3.98Å; V39-F80 HydrophobicContact CG2-CB 4.1Å; V39-F80 HydrophobicContact CG2-CD2 3.93Å; V39-F80 HydrophobicContact CG2-CG 3.93Å; V39-L92 HydrophobicContact CG1-CD1 4.01Å; V39-V93 PolarHBondContact N-O 3.34Å; V39-V94 HydrophobicContact CG1-CB 4.41Å; V39-V94 HydrophobicContact CG1-CG1 4.33Å; V39-V94 HydrophobicContact CG1-CG2 4Å; V39-L95 PolarHBondContact O-N 2.74Å
40L75.5Confident58.2Low32 Ų3251.3 Ų51.317%0.16829%0.291CS..EExtended strand (participates in β ladder)trans-92.5123.6171-165.375.6000109.6L46 L95L40-L46 HydrophobicContact CD2-CD2 3.89Å; L40-L46 HydrophobicContact CD2-CG 4.39Å; L40-L95 WeakPolarHBondContact CA-O 3.46Å; L40-L95 HydrophobicContact CD1-CB 4.1Å
41S72.6Confident59Low1 Ų146 Ų461%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-138.4147-174.4178.50000111.4W5 L95 E96 S97 D113W5-S41 PolarHBondContact NE1-OG 2.97Å; S41-L95 PolarHBondContact N-O 2.85Å; S41-E96 CarbonylContact O-C 3.56Å; S41-E96 VanDerWaalsContact O-CA 3.3Å; S41-E96 WeakPolarHBondContact O-CA 3.4Å; S41-S97 PolarHBondContact O-N 3.48Å; S41-D113 WeakPolarHBondContact CB-OD2 3.38Å; S41-D113 PolarHBondContact OG-OD2 2.89Å
42P66Low60Low4 Ų443.4 Ų43.43%0.02627%0.274CS..THydrogen-bonded Turncis-85.4150.6-6.332.2-31.2000113.1G44 H106 F110P42-G44 VanDerWaalsContact C-N 3.26Å; P42-G44 PolarHBondContact O-N 3.3Å; P42-G44 VanDerWaalsContact O-N 3.1Å; P42-H106 HydrophobicContact CG-CB 4.19Å; P42-F110 HydrophobicContact CB-CB 3.88Å; P42-F110 HydrophobicContact CB-CD2 4.2Å; P42-F110 HydrophobicContact CG-CB 4.38Å; P42-F110 HydrophobicContact CG-CD2 4.33Å
43G58.5Low60.5Low29 Ų2944.6 Ų44.630%0.29928%0.28SS..THydrogen-bonded Turntrans689.6163.800000117.4
44G55.3Low61.1Low16 Ų1643.5 Ų43.517%0.16527%0.273CS..  trans-85.4113.4-178.300000113.4P42P42-G44 VanDerWaalsContact C-N 3.26Å; P42-G44 PolarHBondContact O-N 3.3Å; P42-G44 VanDerWaalsContact O-N 3.1Å
45V45.4Very low61.2Low115 Ų11544.4 Ų44.470%0.69728%0.277SS*.  trans-83.4124.9148.8179.30000105.4S47V45-S47 VanDerWaalsContact C-N 3.26Å; V45-S47 PolarHBondContact O-N 3.18Å
46L47.1Very low61.2Low66 Ų6649.3 Ų49.335%0.34630%0.297SS..  trans-60.890.4173.3-77164.8000109L40 T48 I50 Y54L40-L46 HydrophobicContact CD2-CD2 3.89Å; L40-L46 HydrophobicContact CD2-CG 4.39Å; L46-T48 PolarHBondContact O-N 3.41Å; L46-I50 HydrophobicContact CD1-CG1 4.47Å; L46-I50 HydrophobicContact CD2-CG1 4.09Å; L46-Y54 HydrophobicContact CD1-CE1 4.39Å; L46-Y54 HydrophobicContact CD1-CE2 4.48Å; L46-Y54 WeakPolarHBondContact CD1-OH 3.08Å
47S43.2Very low60.9Low101 Ų10149.8 Ų49.871%0.70630%0.299SS*.  trans-70.2114.7161.443.40000106.6V45V45-S47 VanDerWaalsContact C-N 3.26Å; V45-S47 PolarHBondContact O-N 3.18Å
48T45.1Very low60.5Low107 Ų10748.7 Ų48.766%0.65630%0.295SS*.SBendtrans-50.8136.8171.725.60000110.5L46L46-T48 PolarHBondContact O-N 3.41Å
49P45Very low59.8Low117 Ų11752.1 Ų52.176%0.7631%0.31SS*.SBendcis-100.8126.51134.6-23.5000110.6S51P49-S51 PolarHBondContact O-N 3.2Å
50I50.3Low59.5Low13 Ų1354.3 Ų54.37%0.06732%0.32CS..  trans-36.4124.1167-62.7161.8000109.6L46 Y54 Q55L46-I50 HydrophobicContact CD1-CG1 4.47Å; L46-I50 HydrophobicContact CD2-CG1 4.09Å; I50-Y54 HydrophobicContact CG2-CD1 3.24Å; I50-Y54 HydrophobicContact CG2-CE1 4.04Å; I50-Y54 HydrophobicContact CG2-CG 3.58Å; I50-Q55 HydrophobicContact CB-CG 4.12Å; I50-Q55 HydrophobicContact CD1-CG 4.48Å; I50-Q55 HydrophobicContact CG2-CG 3.66Å
51S54.5Low59.5Low64 Ų6453 Ų5345%0.44831%0.313SS..  trans-46.3128.1174.2170.90000108.6P49 V53 Y54P49-S51 PolarHBondContact O-N 3.2Å; S51-V53 PolarHBondContact O-N 3.21Å; S51-Y54 WeakPolarHBondContact O-CB 3.24Å; S51-Y54 PolarHBondContact O-N 2.72Å
52P56.6Low59.4Low87 Ų8755.1 Ų55.157%0.56532%0.322SS*.Hα-helixtrans-47-27.7-179.3-30.534.3000113.5K56P52-K56 WeakPolarHBondContact O-CB 3.45Å; P52-K56 VanDerWaalsContact O-CG 3.22Å; P52-K56 WeakPolarHBondContact O-CG 3.38Å; P52-K56 PolarHBondContact O-N 2.87Å
53V57.4Low59.5Low54 Ų5458.4 Ų58.433%0.32734%0.34SS..Hα-helixtrans-60.8-43.4175.6-1700000112.5S51 K56 L57 I203S51-V53 PolarHBondContact O-N 3.21Å; V53-K56 PolarHBondContact O-N 3.37Å; V53-L57 VanDerWaalsContact O-CB 3.29Å; V53-L57 WeakPolarHBondContact O-CB 3.34Å; V53-L57 PolarHBondContact O-N 3.01Å; V53-I203 HydrophobicContact CG1-CD1 3.46Å; V53-I203 VanDerWaalsContact CG1-CD1 3.46Å; V53-I203 HydrophobicContact CG1-CG1 3.84Å
54Y64.3Low60.1Low23 Ų2357 Ų579%0.0933%0.326CS..Hα-helixtrans-69.6-42179.8176-73.6000112.1Y38 L46 I50 S51 K56 L57 V58 L95Y38-Y54 HydrophobicContact CD2-CE1 4.12Å; Y38-Y54 HydrophobicContact CD2-CE2 4.29Å; Y38-Y54 AromaticContact CD2-CZ 3.52Å; Y38-Y54 WeakPolarHBondContact CD2-OH 3.38Å; Y38-Y54 AromaticContact CE2-CE1 3.66Å; Y38-Y54 HydrophobicContact CE2-CE1 3.66Å; Y38-Y54 AromaticContact CE2-CZ 3.48Å; Y38-Y54 VanDerWaalsContact CE2-CZ 3.48Å; Y38-Y54 WeakPolarHBondContact CE2-OH 3.41Å; L46-Y54 HydrophobicContact CD1-CE1 4.39Å; L46-Y54 HydrophobicContact CD1-CE2 4.48Å; L46-Y54 WeakPolarHBondContact CD1-OH 3.08Å; I50-Y54 HydrophobicContact CG2-CD1 3.24Å; I50-Y54 HydrophobicContact CG2-CE1 4.04Å; I50-Y54 HydrophobicContact CG2-CG 3.58Å; S51-Y54 WeakPolarHBondContact O-CB 3.24Å; S51-Y54 PolarHBondContact O-N 2.72Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 3.24Å; Y54-L57 WeakPolarHBondContact O-CB 3.43Å; Y54-L57 PolarHBondContact O-N 3.45Å; Y54-V58 HydrophobicContact CD1-CG2 3.9Å; Y54-V58 HydrophobicContact CE1-CG2 3.72Å; Y54-V58 WeakPolarHBondContact O-CG2 3.39Å; Y54-V58 PolarHBondContact O-N 3.2Å; Y54-L95 HydrophobicContact CD2-CD1 3.19Å; Y54-L95 HydrophobicContact CD2-CG 4.44Å; Y54-L95 HydrophobicContact CE2-CD1 3.18Å; Y54-L95 HydrophobicContact CE2-CG 4.38Å; Y54-L95 HydrophobicContact CG-CD1 4.18Å
55Q61.6Low60.8Low40 Ų4056.4 Ų56.419%0.18732%0.319CS..Hα-helixtrans-62.6-43.6176.1-73.8177.6-4.700110.8I50 L57 V58 K59 L243I50-Q55 HydrophobicContact CB-CG 4.12Å; I50-Q55 HydrophobicContact CD1-CG 4.48Å; I50-Q55 HydrophobicContact CG2-CG 3.66Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 3.34Å; Q55-V58 PolarHBondContact O-N 2.9Å; Q55-K59 WeakPolarHBondContact O-CB 3.43Å; Q55-K59 PolarHBondContact O-N 2.92Å; Q55-L243 HydrophobicContact CG-CD1 4.43Å
56K66.6Low61.5Low130 Ų13053 Ų5357%0.56530%0.298SS*.Hα-helixtrans-59.9-41.2173.7-75179178.7-167.10111.8P52 V53 Y54 K60P52-K56 WeakPolarHBondContact O-CB 3.45Å; P52-K56 VanDerWaalsContact O-CG 3.22Å; P52-K56 WeakPolarHBondContact O-CG 3.38Å; P52-K56 PolarHBondContact O-N 2.87Å; V53-K56 PolarHBondContact O-N 3.37Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 3.24Å; K56-K60 VanDerWaalsContact O-CB 3.31Å; K56-K60 WeakPolarHBondContact O-CB 3.42Å; K56-K60 PolarHBondContact O-N 3.11Å
57L71.3Confident61.9Low10 Ų1053.6 Ų53.65%0.05231%0.306CS..Hα-helixtrans-66.3-48.5179177.957.2000113V53 Y54 Q55 K59 K60 I61 L95 I130 L206V53-L57 VanDerWaalsContact O-CB 3.29Å; V53-L57 WeakPolarHBondContact O-CB 3.34Å; V53-L57 PolarHBondContact O-N 3.01Å; Y54-L57 WeakPolarHBondContact O-CB 3.43Å; Y54-L57 PolarHBondContact O-N 3.45Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 3.34Å; L57-K59 VanDerWaalsContact C-N 3.28Å; L57-K59 PolarHBondContact O-N 2.74Å; L57-K60 PolarHBondContact O-N 3.06Å; L57-K60 VanDerWaalsContact O-N 3.15Å; L57-I61 HydrophobicContact CD1-CD1 4.23Å; L57-I61 HydrophobicContact CD1-CG1 4.36Å; L57-I61 HydrophobicContact CG-CD1 4.23Å; L57-I61 WeakPolarHBondContact O-CG1 3.49Å; L57-I61 PolarHBondContact O-N 3.03Å; L57-L95 HydrophobicContact CD2-CD1 4.07Å; L57-L95 HydrophobicContact CD2-CD2 3.42Å; L57-L95 VanDerWaalsContact CD2-CD2 3.42Å; L57-L95 HydrophobicContact CD2-CG 4.42Å; L57-I130 HydrophobicContact CD1-CD1 3.8Å; L57-I130 HydrophobicContact CD2-CD1 3.59Å; L57-I130 HydrophobicContact CD2-CG2 4.31Å; L57-I130 HydrophobicContact CG-CD1 4.14Å; L57-L206 HydrophobicContact CD1-CD1 3.56Å
58V70.6Confident62.3Low3 Ų353.6 Ų53.62%0.01830%0.298CS..Hα-helixtrans-60-42.3177.2172.20000110.5Y38 Y54 Q55 I61 Q62 L72 L243Y38-V58 HydrophobicContact CD2-CG2 3.95Å; Y38-V58 HydrophobicContact CE1-CG1 4.41Å; Y38-V58 HydrophobicContact CE2-CG1 4.48Å; Y38-V58 HydrophobicContact CE2-CG2 3.67Å; Y54-V58 HydrophobicContact CD1-CG2 3.9Å; Y54-V58 HydrophobicContact CE1-CG2 3.72Å; Y54-V58 WeakPolarHBondContact O-CG2 3.39Å; Y54-V58 PolarHBondContact O-N 3.2Å; Q55-V58 PolarHBondContact O-N 2.9Å; V58-I61 PolarHBondContact O-N 3Å; V58-Q62 WeakPolarHBondContact O-CG 3.48Å; V58-Q62 PolarHBondContact O-N 3.18Å; V58-L72 HydrophobicContact CG1-CD2 3.84Å; V58-L243 HydrophobicContact CG1-CD2 4.16Å
59K68.7Low62.9Low78 Ų7850.8 Ų50.834%0.33928%0.281SS..Hα-helixtrans-60.3-46.8173.6-174.8-178.7177-174.20111.4Q55 L57 I61 Q62 D63Q55-K59 WeakPolarHBondContact O-CB 3.43Å; Q55-K59 PolarHBondContact O-N 2.92Å; L57-K59 VanDerWaalsContact C-N 3.28Å; L57-K59 PolarHBondContact O-N 2.74Å; K59-I61 VanDerWaalsContact C-N 3.33Å; K59-I61 PolarHBondContact O-N 3.04Å; K59-Q62 WeakPolarHBondContact O-CA 3.49Å; K59-Q62 VanDerWaalsContact O-CB 3.3Å; K59-Q62 WeakPolarHBondContact O-CB 3.45Å; K59-Q62 PolarHBondContact O-N 2.82Å; K59-D63 VanDerWaalsContact O-CG 3.22Å; K59-D63 PolarHBondContact O-N 2.92Å
60K73.6Confident63.8Low51 Ų5146.2 Ų46.222%0.22225%0.252CS..Hα-helixtrans-62.7-37.9179.1-159.4168-178.1170.80112.6K56 L57 Q62 D63 V64 L206 A210 L213K56-K60 VanDerWaalsContact O-CB 3.31Å; K56-K60 WeakPolarHBondContact O-CB 3.42Å; K56-K60 PolarHBondContact O-N 3.11Å; L57-K60 PolarHBondContact O-N 3.06Å; L57-K60 VanDerWaalsContact O-N 3.15Å; K60-Q62 VanDerWaalsContact C-N 3.32Å; K60-D63 PolarHBondContact O-N 2.83Å; K60-V64 WeakPolarHBondContact O-CB 3.42Å; K60-V64 WeakPolarHBondContact O-CG2 3.28Å; K60-V64 PolarHBondContact O-N 2.99Å; K60-L206 PolarHBondContact NZ-O 3.11Å; K60-A210 VanDerWaalsContact CE-CA 3.49Å; K60-A210 VanDerWaalsContact NZ-CA 3.28Å; K60-A210 VanDerWaalsContact NZ-CB 3.27Å; K60-L213 HydrophobicContact CB-CD2 4.15Å; K60-L213 HydrophobicContact CD-CD2 4.41Å; K60-L213 HydrophobicContact CG-CD2 3.9Å
61I75.9Confident64.4Low4 Ų448.9 Ų48.92%0.02127%0.266CS..Hα-helixtrans-63.3-40.1172.4-66.5168.5000110.7I36 L57 V58 K59 V65 L72 V93 L213I36-I61 HydrophobicContact CD1-CG2 4.22Å; L57-I61 HydrophobicContact CD1-CD1 4.23Å; L57-I61 HydrophobicContact CD1-CG1 4.36Å; L57-I61 HydrophobicContact CG-CD1 4.23Å; L57-I61 WeakPolarHBondContact O-CG1 3.49Å; L57-I61 PolarHBondContact O-N 3.03Å; V58-I61 PolarHBondContact O-N 3Å; K59-I61 VanDerWaalsContact C-N 3.33Å; K59-I61 PolarHBondContact O-N 3.04Å; I61-V65 HydrophobicContact CG2-CG2 4.11Å; I61-V65 WeakPolarHBondContact O-CB 3.43Å; I61-V65 VanDerWaalsContact O-CG2 3.24Å; I61-V65 WeakPolarHBondContact O-CG2 3.46Å; I61-V65 PolarHBondContact O-N 2.75Å; I61-L72 HydrophobicContact CB-CD2 4.33Å; I61-L72 HydrophobicContact CG2-CD2 4.01Å; I61-V93 HydrophobicContact CD1-CG1 4.02Å; I61-V93 HydrophobicContact CD1-CG2 4.1Å; I61-L213 HydrophobicContact CG1-CD1 4.14Å; I61-L213 HydrophobicContact CG1-CD2 3.84Å
62Q69.8Low65.2Low46 Ų4647.4 Ų47.422%0.21525%0.253CS..Hα-helixtrans-64.5-40.2175.8-73.6173-19.700112.7V58 K59 K60 L72V58-Q62 WeakPolarHBondContact O-CG 3.48Å; V58-Q62 PolarHBondContact O-N 3.18Å; K59-Q62 WeakPolarHBondContact O-CA 3.49Å; K59-Q62 VanDerWaalsContact O-CB 3.3Å; K59-Q62 WeakPolarHBondContact O-CB 3.45Å; K59-Q62 PolarHBondContact O-N 2.82Å; K60-Q62 VanDerWaalsContact C-N 3.32Å; Q62-L72 HydrophobicContact CG-CD1 3.52Å; Q62-L72 HydrophobicContact CG-CD2 3.55Å; Q62-L72 HydrophobicContact CG-CG 4.08Å
63D68Low65.8Low73 Ų7345.4 Ų45.439%0.3924%0.235SC..Hα-helixtrans-71-37.5-178.4-63.2-24.3000111.3K59 K60K59-D63 VanDerWaalsContact O-CG 3.22Å; K59-D63 PolarHBondContact O-N 2.92Å; K60-D63 PolarHBondContact O-N 2.83Å
64V71.4Confident66.6Low0 Ų043.8 Ų43.80%023%0.225CC..Hα-helixtrans-79-42.7-178.3170.30000112.3K60 V66 L213 E214 L217 C224 V225 C227K60-V64 WeakPolarHBondContact O-CB 3.42Å; K60-V64 WeakPolarHBondContact O-CG2 3.28Å; K60-V64 PolarHBondContact O-N 2.99Å; V64-V66 PolarHBondContact O-N 3.32Å; V64-L213 HydrophobicContact CG2-CD2 4.33Å; V64-E214 HydrophobicContact CG1-CB 4.03Å; V64-E214 HydrophobicContact CG1-CG 3.65Å; V64-E214 HydrophobicContact CG2-CG 4.02Å; V64-L217 HydrophobicContact CB-CD1 4.43Å; V64-L217 HydrophobicContact CG1-CD1 3.74Å; V64-C224 HydrophobicContact CG1-CB 3.59Å; V64-C224 VanDerWaalsContact CG1-SG 3.55Å; V64-C224 CarbonylContact O-C 3.59Å; V64-C224 WeakPolarHBondContact O-CA 3.46Å; V64-C224 WeakPolarHBondContact O-CB 3.22Å; V64-V225 PolarHBondContact O-N 3.33Å; V64-C227 WeakPolarHBondContact CG2-SG 3.24Å
65V70.7Confident67Low3 Ų343.4 Ų43.42%0.01823%0.225CC..BIsolated β-bridgetrans-74.1132.4-178.1-1800000109.4I36 I61 P67 A70 L217 I222I36-V65 HydrophobicContact CD1-CB 4.42Å; I36-V65 HydrophobicContact CD1-CG1 4.22Å; I36-V65 HydrophobicContact CD1-CG2 3.91Å; I61-V65 HydrophobicContact CG2-CG2 4.11Å; I61-V65 WeakPolarHBondContact O-CB 3.43Å; I61-V65 VanDerWaalsContact O-CG2 3.24Å; I61-V65 WeakPolarHBondContact O-CG2 3.46Å; I61-V65 PolarHBondContact O-N 2.75Å; V65-P67 WeakPolarHBondContact O-CD 3.34Å; V65-A70 HydrophobicContact CB-CB 4.33Å; V65-A70 HydrophobicContact CG1-CB 3.41Å; V65-A70 VanDerWaalsContact CG1-CB 3.41Å; V65-L217 HydrophobicContact CG2-CD1 3.74Å; V65-L217 HydrophobicContact CG2-CD2 4.45Å; V65-I222 HydrophobicContact CG1-CG2 4Å; V65-I222 HydrophobicContact CG2-CG2 4.02Å
66V60.9Low67.6Low44 Ų4443.2 Ų43.227%0.26723%0.228SC..  trans-44.9117-172.7177.80000110.9V64 N68 T69 S223 V225V64-V66 PolarHBondContact O-N 3.32Å; V66-N68 PolarHBondContact O-N 2.72Å; V66-T69 HydrophobicContact CB-CG2 3.81Å; V66-T69 WeakPolarHBondContact CB-OG1 3.37Å; V66-T69 HydrophobicContact CG1-CG2 3.64Å; V66-T69 WeakPolarHBondContact O-CB 3.29Å; V66-T69 PolarHBondContact O-N 3.41Å; V66-T69 PolarHBondContact O-OG1 3.08Å; V66-S223 WeakPolarHBondContact CG2-O 3.5Å; V66-S223 PolarHBondContact N-O 3.14Å; V66-V225 HydrophobicContact CB-CG2 4.38Å; V66-V225 HydrophobicContact CG2-CG2 3.98Å
67P53.9Low67.9Low78 Ų7839 Ų3951%0.50621%0.209SC..THydrogen-bonded Turntrans-50.7134.5-179-28.934.3000110.5V65 T69V65-P67 WeakPolarHBondContact O-CD 3.34Å; P67-T69 VanDerWaalsContact C-N 3.35Å; P67-T69 PolarHBondContact O-N 3.2Å
68N53Low68.1Low100 Ų10045.9 Ų45.954%0.53524%0.238SC..THydrogen-bonded Turntrans75.80.7-175.7-42.4-64.1000117.2V66 N297V66-N68 PolarHBondContact O-N 2.72Å; N68-N297 PolarHBondContact OD1-ND2 3.43Å
69T57.4Low68.3Low49 Ų4948 Ų4830%0.30125%0.247SC..THydrogen-bonded Turntrans-99.7-14.1175.568.40000113.9I34 V66 P67I34-T69 PolarHBondContact N-O 3.23Å; V66-T69 HydrophobicContact CB-CG2 3.81Å; V66-T69 WeakPolarHBondContact CB-OG1 3.37Å; V66-T69 HydrophobicContact CG1-CG2 3.64Å; V66-T69 WeakPolarHBondContact O-CB 3.29Å; V66-T69 PolarHBondContact O-N 3.41Å; V66-T69 PolarHBondContact O-OG1 3.08Å; P67-T69 VanDerWaalsContact C-N 3.35Å; P67-T69 PolarHBondContact O-N 3.2Å
70A63.1Low69Low20 Ų2044.3 Ų44.317%0.16523%0.231CC..EExtended strand (participates in β ladder)trans-132.1141.8-178.100000113.5I34 I36 V65I34-A70 HydrophobicContact CB-CB 4.06Å; I34-A70 CarbonylContact O-C 3.24Å; I34-A70 WeakPolarHBondContact O-CA 3.38Å; I36-A70 HydrophobicContact CD1-CB 3.55Å; I36-A70 HydrophobicContact CG1-CB 3.98Å; V65-A70 HydrophobicContact CB-CB 4.33Å; V65-A70 HydrophobicContact CG1-CB 3.41Å; V65-A70 VanDerWaalsContact CG1-CB 3.41Å
71L63.1Low69.4Low69 Ų6943 Ų4336%0.36123%0.229SC..EExtended strand (participates in β ladder)trans-115.5122.5172.4-69170.8000107.9I34 N35 I36 Y73 V362I34-L71 PolarHBondContact O-N 3.09Å; N35-L71 WeakPolarHBondContact CA-O 3.31Å; I36-L71 PolarHBondContact N-O 2.96Å; L71-Y73 HydrophobicContact CB-CD2 4.39Å; L71-Y73 HydrophobicContact CB-CE2 3.43Å; L71-Y73 VanDerWaalsContact CB-CE2 3.43Å; L71-Y73 VanDerWaalsContact CD1-OH 3.26Å; L71-Y73 WeakPolarHBondContact CD1-OH 3.05Å; L71-Y73 VanDerWaalsContact O-CD2 3.28Å; L71-Y73 WeakPolarHBondContact O-CD2 3.27Å; L71-Y73 VanDerWaalsContact O-CE2 3.29Å; L71-Y73 WeakPolarHBondContact O-CE2 3.21Å; L71-V362 HydrophobicContact CD1-CG1 3.99Å
72L70.7Confident69.7Low33 Ų3346.9 Ų46.917%0.17325%0.25CC..EExtended strand (participates in β ladder)trans-92.6131.2180-75.178.1000111.3I36 Y38 V58 I61 Q62I36-L72 HydrophobicContact CB-CG 4.1Å; I36-L72 HydrophobicContact CD1-CD1 4.34Å; I36-L72 HydrophobicContact CG2-CG 4.27Å; I36-L72 CarbonylContact O-C 3.6Å; I36-L72 VanDerWaalsContact O-CA 3.27Å; I36-L72 WeakPolarHBondContact O-CA 3.49Å; Y38-L72 HydrophobicContact CD1-CB 4.38Å; Y38-L72 HydrophobicContact CE1-CB 3.97Å; V58-L72 HydrophobicContact CG1-CD2 3.84Å; I61-L72 HydrophobicContact CB-CD2 4.33Å; I61-L72 HydrophobicContact CG2-CD2 4.01Å; Q62-L72 HydrophobicContact CG-CD1 3.52Å; Q62-L72 HydrophobicContact CG-CD2 3.55Å; Q62-L72 HydrophobicContact CG-CG 4.08Å
73Y70.9Confident70.3Confident46 Ų4648 Ų4818%0.1826%0.255CS..EExtended strand (participates in β ladder)trans-130.6115-179.4-57.6-89.4000111.2N35 I36 Y37 Y38 L71 L75N35-Y73 HydrophobicContact CB-CD2 4.1Å; N35-Y73 HydrophobicContact CB-CE2 3.71Å; N35-Y73 WeakPolarHBondContact OD1-CE2 3.3Å; N35-Y73 PolarHBondContact OD1-OH 3.03Å; I36-Y73 PolarHBondContact O-N 3.36Å; Y37-Y73 CarbonylContact C-O 3.54Å; Y37-Y73 VanDerWaalsContact CA-O 3.24Å; Y37-Y73 WeakPolarHBondContact CA-O 3.43Å; Y37-Y73 VanDerWaalsContact CD1-CB 3.43Å; Y37-Y73 HydrophobicContact CD1-CD2 4.25Å; Y37-Y73 HydrophobicContact CD1-CG 4.12Å; Y37-Y73 AromaticContact CE1-CD2 3.87Å; Y37-Y73 HydrophobicContact CE1-CD2 3.87Å; Y37-Y73 AromaticContact CE1-CG 3.74Å; Y37-Y73 HydrophobicContact CE1-CG 3.74Å; Y38-Y73 VanDerWaalsContact CD1-O 3.26Å; Y38-Y73 WeakPolarHBondContact CD1-O 3.41Å; Y38-Y73 PolarHBondContact N-O 3.45Å; L71-Y73 HydrophobicContact CB-CD2 4.39Å; L71-Y73 HydrophobicContact CB-CE2 3.43Å; L71-Y73 VanDerWaalsContact CB-CE2 3.43Å; L71-Y73 VanDerWaalsContact CD1-OH 3.26Å; L71-Y73 WeakPolarHBondContact CD1-OH 3.05Å; L71-Y73 VanDerWaalsContact O-CD2 3.28Å; L71-Y73 WeakPolarHBondContact O-CD2 3.27Å; L71-Y73 VanDerWaalsContact O-CE2 3.29Å; L71-Y73 WeakPolarHBondContact O-CE2 3.21Å; Y73-L75 PolarHBondContact O-N 3.5Å
74P74.1Confident70.6Confident19 Ų1951.1 Ų51.112%0.12327%0.271CS..EExtended strand (participates in β ladder)trans-67.9133.3166.728.7-31.1000108.5Y38 V246Y38-P74 HydrophobicContact CD2-CB 4.15Å; Y38-P74 HydrophobicContact CE1-CB 4Å; Y38-P74 VanDerWaalsContact CE1-CD 3.49Å; Y38-P74 HydrophobicContact CE1-CG 4.28Å; Y38-P74 HydrophobicContact CE2-CB 3.52Å; Y38-P74 HydrophobicContact CE2-CG 4.37Å; Y38-P74 VanDerWaalsContact CZ-CB 3.41Å; Y38-P74 VanDerWaalsContact CZ-CD 3.49Å; Y38-P74 CarbonylContact O-C 3.52Å; Y38-P74 WeakPolarHBondContact O-CA 3.43Å; Y38-P74 VanDerWaalsContact OH-CD 3.3Å; Y38-P74 WeakPolarHBondContact OH-CD 3.29Å; Y38-P74 WeakPolarHBondContact OH-CG 3.39Å; P74-V246 VanDerWaalsContact CD-CG1 3.46Å; P74-V246 HydrophobicContact CG-CB 3.26Å; P74-V246 HydrophobicContact CG-CG1 3.61Å; P74-V246 HydrophobicContact CG-CG2 3.56Å
75L72.3Confident70.9Confident16 Ų1651.6 Ų51.68%0.08427%0.273CS..PPolyproline II helixtrans-93.5116.6169.2-68.5174.3000108.6Y37 Y38 V39 Y73 Q79 F80 W85 L92Y37-L75 HydrophobicContact CD1-CD1 4.06Å; Y37-L75 HydrophobicContact CD1-CD2 3.49Å; Y37-L75 VanDerWaalsContact CD1-CD2 3.49Å; Y37-L75 HydrophobicContact CD1-CG 3.69Å; Y37-L75 HydrophobicContact CE1-CD2 4Å; Y37-L75 HydrophobicContact CG-CD1 4.09Å; Y37-L75 HydrophobicContact CG-CD2 4.32Å; Y37-L75 HydrophobicContact CG-CG 4.19Å; Y38-L75 PolarHBondContact O-N 3.38Å; V39-L75 HydrophobicContact CB-CB 4.31Å; V39-L75 HydrophobicContact CG2-CB 4.47Å; Y73-L75 PolarHBondContact O-N 3.5Å; L75-Q79 HydrophobicContact CD2-CB 3.94Å; L75-F80 HydrophobicContact CB-CB 4.1Å; L75-F80 HydrophobicContact CD1-CB 4.39Å; L75-F80 HydrophobicContact CD1-CD2 3.91Å; L75-W85 HydrophobicContact CD1-CB 4.46Å; L75-W85 HydrophobicContact CD1-CD2 3.56Å; L75-W85 HydrophobicContact CD1-CE3 4.13Å; L75-W85 HydrophobicContact CD1-CG 3.69Å; L75-W85 HydrophobicContact CD1-CZ2 4.31Å; L75-W85 HydrophobicContact CD2-CB 3.86Å; L75-W85 HydrophobicContact CD2-CG 3.8Å; L75-W85 HydrophobicContact CG-CG 4.42Å; L75-L92 HydrophobicContact CD1-CD1 3.93Å
76S72.9Confident71.3Confident36 Ų3652 Ų5225%0.25228%0.275SS..PPolyproline II helixtrans-60.8156.3160.7660000109.9K78 Q79 F80S76-K78 PolarHBondContact O-N 2.89Å; S76-K78 VanDerWaalsContact O-N 3.1Å; S76-Q79 PolarHBondContact O-N 3.48Å; S76-Q79 WeakPolarHBondContact OG-CG 3.45Å; S76-Q79 PolarHBondContact OG-N 2.89Å; S76-Q79 PolarHBondContact OG-OE1 2.84Å; S76-F80 PolarHBondContact O-N 2.81Å
77R74.5Confident71.6Confident42 Ų4256.2 Ų56.216%0.15830%0.301CS..Hα-helixtrans-51.1-39.2177.8-17865.9-168.7154.9-2.3113.1S81 D109 D113R77-S81 WeakPolarHBondContact O-CB 3.3Å; R77-S81 PolarHBondContact O-N 3.15Å; R77-S81 PolarHBondContact O-OG 2.87Å; R77-D109 IonicContact CZ-OD1 3.4Å; R77-D109 IonicContact NE-OD1 3.6Å; R77-D109 IonicContact NH2-OD1 2.95Å; R77-D109 PolarHBondContact NH2-OD1 3.09Å; R77-D113 IonicContact CZ-OD1 3.5Å; R77-D113 IonicContact CZ-OD2 2.73Å; R77-D113 IonicContact NH1-OD1 2.72Å; R77-D113 PolarHBondContact NH1-OD1 3.41Å; R77-D113 IonicContact NH1-OD2 3.48Å; R77-D113 PolarHBondContact NH1-OD2 3.37Å; R77-D113 IonicContact NH2-OD1 2.78Å; R77-D113 PolarHBondContact NH2-OD1 3.21Å
78K74.1Confident72.3Confident154 Ų15454.6 Ų54.667%0.6729%0.291SS*.Hα-helixtrans-65.2-52.3176.9-173.3-179.4177.2-177.50111.1S76 F80 S81 D82S76-K78 PolarHBondContact O-N 2.89Å; S76-K78 VanDerWaalsContact O-N 3.1Å; K78-F80 VanDerWaalsContact C-N 3.32Å; K78-F80 PolarHBondContact O-N 3.49Å; K78-S81 CarbonylContact O-C 3.56Å; K78-S81 WeakPolarHBondContact O-CB 3.21Å; K78-S81 PolarHBondContact O-N 3.34Å; K78-S81 VanDerWaalsContact O-N 3.13Å; K78-D82 PolarHBondContact O-N 3.33Å
79Q76.1Confident73.2Confident46 Ų4650.3 Ų50.322%0.21527%0.271CS..Hα-helixtrans-61-40.8178.6-72.1163.5-54.700112.4L75 S76 S81 D82 E83 W85L75-Q79 HydrophobicContact CD2-CB 3.94Å; S76-Q79 PolarHBondContact O-N 3.48Å; S76-Q79 WeakPolarHBondContact OG-CG 3.45Å; S76-Q79 PolarHBondContact OG-N 2.89Å; S76-Q79 PolarHBondContact OG-OE1 2.84Å; Q79-S81 VanDerWaalsContact C-N 3.31Å; Q79-S81 PolarHBondContact O-N 3.44Å; Q79-D82 PolarHBondContact O-N 3.21Å; Q79-E83 PolarHBondContact O-N 3.02Å; Q79-W85 VanDerWaalsContact O-CD1 3.27Å
80F82Confident74.2Confident1 Ų150.5 Ų50.50%0.00427%0.268CS..Hα-helixtrans-59.4-45.1175.3179.8-100.5000111.1V39 L75 S76 K78 E83 W85 L92 D113 I116 V117V39-F80 HydrophobicContact CB-CD2 4.16Å; V39-F80 HydrophobicContact CG1-CD2 4.04Å; V39-F80 HydrophobicContact CG1-CE2 3.98Å; V39-F80 HydrophobicContact CG2-CB 4.1Å; V39-F80 HydrophobicContact CG2-CD2 3.93Å; V39-F80 HydrophobicContact CG2-CG 3.93Å; L75-F80 HydrophobicContact CB-CB 4.1Å; L75-F80 HydrophobicContact CD1-CB 4.39Å; L75-F80 HydrophobicContact CD1-CD2 3.91Å; S76-F80 PolarHBondContact O-N 2.81Å; K78-F80 VanDerWaalsContact C-N 3.32Å; K78-F80 PolarHBondContact O-N 3.49Å; F80-E83 PolarHBondContact O-N 3.04Å; F80-W85 AromaticContact CD2-CZ2 3.85Å; F80-W85 HydrophobicContact CD2-CZ2 3.85Å; F80-W85 AromaticContact CE2-CZ2 3.75Å; F80-W85 HydrophobicContact CE2-CZ2 3.75Å; F80-W85 PolarHBondContact O-NE1 3.01Å; F80-W85 VanDerWaalsContact O-NE1 3.16Å; F80-L92 HydrophobicContact CE2-CD1 4.48Å; F80-L92 HydrophobicContact CE2-CD2 4.09Å; F80-D113 HydrophobicContact CE1-CB 4.12Å; F80-D113 WeakPolarHBondContact CE1-OD1 3.44Å; F80-D113 HydrophobicContact CZ-CB 4.41Å; F80-I116 HydrophobicContact CD1-CD1 3.97Å; F80-I116 HydrophobicContact CD2-CG2 4.48Å; F80-I116 HydrophobicContact CE1-CB 4.07Å; F80-I116 HydrophobicContact CE1-CD1 3.63Å; F80-I116 HydrophobicContact CE1-CG1 4.44Å; F80-I116 HydrophobicContact CE1-CG2 4Å; F80-I116 HydrophobicContact CE2-CG2 3.8Å; F80-I116 HydrophobicContact CZ-CB 3.84Å; F80-I116 HydrophobicContact CZ-CD1 4.28Å; F80-I116 HydrophobicContact CZ-CG2 3.53Å; F80-V117 HydrophobicContact CZ-CG2 4.22Å
81S83.3Confident75.4Confident24 Ų2449.6 Ų49.617%0.16826%0.26CS..Hα-helixtrans-69.5-25.7177.2-690000114.8R77 K78 Q79 E83 K112R77-S81 WeakPolarHBondContact O-CB 3.3Å; R77-S81 PolarHBondContact O-N 3.15Å; R77-S81 PolarHBondContact O-OG 2.87Å; K78-S81 CarbonylContact O-C 3.56Å; K78-S81 WeakPolarHBondContact O-CB 3.21Å; K78-S81 PolarHBondContact O-N 3.34Å; K78-S81 VanDerWaalsContact O-N 3.13Å; Q79-S81 VanDerWaalsContact C-N 3.31Å; Q79-S81 PolarHBondContact O-N 3.44Å; S81-E83 VanDerWaalsContact C-N 3.26Å; S81-K112 PolarHBondContact OG-NZ 2.85Å; S81-K112 VanDerWaalsContact OG-NZ 3.09Å
82D81.5Confident76.7Confident86 Ų8646.3 Ų46.346%0.4624%0.242SC..THydrogen-bonded Turntrans-80.6-9.2-179.9-70.4-16.7000112K78 Q79 L84K78-D82 PolarHBondContact O-N 3.33Å; Q79-D82 PolarHBondContact O-N 3.21Å; D82-L84 PolarHBondContact O-N 3.28Å
83E82.6Confident77.6Confident70 Ų7044.8 Ų44.833%0.32724%0.235SC..  trans58.8-1.8171.8-65.5175-153.200116.6Q79 F80 S81 W85 I86 I116Q79-E83 PolarHBondContact O-N 3.02Å; F80-E83 PolarHBondContact O-N 3.04Å; S81-E83 VanDerWaalsContact C-N 3.26Å; E83-W85 PolarHBondContact O-N 3.02Å; E83-W85 VanDerWaalsContact O-N 3.09Å; E83-I86 HydrophobicContact CB-CD1 3.84Å; E83-I86 HydrophobicContact CB-CG1 4.41Å; E83-I86 HydrophobicContact CG-CD1 3.93Å; E83-I86 VanDerWaalsContact O-CB 3.23Å; E83-I86 WeakPolarHBondContact O-CB 3.35Å; E83-I86 WeakPolarHBondContact O-CG1 3.29Å; E83-I86 PolarHBondContact O-N 2.78Å; E83-I116 HydrophobicContact CG-CD1 4.48Å; E83-I116 HydrophobicContact CG-CG1 4.3Å; E83-I116 HydrophobicContact CG-CG2 4.47Å
84L74Confident78.5Confident138 Ų13842.6 Ų42.672%0.72323%0.226SC*.G310 helixtrans-56.4-32.6-179.4-65.9173.2000112.6D82 I86 T87D82-L84 PolarHBondContact O-N 3.28Å; L84-I86 VanDerWaalsContact C-N 3.27Å; L84-I86 PolarHBondContact O-N 3.29Å; L84-T87 PolarHBondContact O-OG1 2.89Å
85W77.4Confident79.1Confident9 Ų942.2 Ų42.23%0.03422%0.223CC..G310 helixtrans-64.9-28.3179.965.4-89.4000112.9Y37 L75 Q79 F80 E83 T87 S88 G89 L92 I116 Y120Y37-W85 HydrophobicContact CD1-CB 4.02Å; Y37-W85 HydrophobicContact CD2-CB 4.28Å; Y37-W85 AromaticContact CD2-CE3 3.79Å; Y37-W85 HydrophobicContact CD2-CE3 3.79Å; Y37-W85 HydrophobicContact CE1-CB 3.76Å; Y37-W85 HydrophobicContact CE2-CB 4Å; Y37-W85 HydrophobicContact CE2-CE3 4.39Å; Y37-W85 HydrophobicContact CG-CB 4.28Å; Y37-W85 HydrophobicContact CG-CD2 4.49Å; Y37-W85 HydrophobicContact CG-CE3 4Å; L75-W85 HydrophobicContact CD1-CB 4.46Å; L75-W85 HydrophobicContact CD1-CD2 3.56Å; L75-W85 HydrophobicContact CD1-CE3 4.13Å; L75-W85 HydrophobicContact CD1-CG 3.69Å; L75-W85 HydrophobicContact CD1-CZ2 4.31Å; L75-W85 HydrophobicContact CD2-CB 3.86Å; L75-W85 HydrophobicContact CD2-CG 3.8Å; L75-W85 HydrophobicContact CG-CG 4.42Å; Q79-W85 VanDerWaalsContact O-CD1 3.27Å; F80-W85 AromaticContact CD2-CZ2 3.85Å; F80-W85 HydrophobicContact CD2-CZ2 3.85Å; F80-W85 AromaticContact CE2-CZ2 3.75Å; F80-W85 HydrophobicContact CE2-CZ2 3.75Å; F80-W85 PolarHBondContact O-NE1 3.01Å; F80-W85 VanDerWaalsContact O-NE1 3.16Å; E83-W85 PolarHBondContact O-N 3.02Å; E83-W85 VanDerWaalsContact O-N 3.09Å; W85-T87 PolarHBondContact O-N 3.37Å; W85-T87 VanDerWaalsContact O-N 3.1Å; W85-S88 PolarHBondContact O-N 3.35Å; W85-S88 PolarHBondContact O-OG 2.99Å; W85-S88 VanDerWaalsContact O-OG 3.08Å; W85-G89 PolarHBondContact O-N 3.15Å; W85-L92 HydrophobicContact CH2-CB 4.25Å; W85-L92 HydrophobicContact CH2-CD1 3.87Å; W85-L92 HydrophobicContact CH2-CD2 3.72Å; W85-L92 HydrophobicContact CH2-CG 4.15Å; W85-L92 HydrophobicContact CZ2-CD1 4.33Å; W85-L92 HydrophobicContact CZ2-CD2 4.35Å; W85-L92 HydrophobicContact CZ3-CB 4.11Å; W85-L92 HydrophobicContact CZ3-CD1 3.96Å; W85-L92 HydrophobicContact CZ3-CD2 4.4Å; W85-L92 HydrophobicContact CZ3-CG 4.37Å; W85-I116 HydrophobicContact CZ2-CG2 3.79Å; W85-Y120 AromaticContact CH2-CD1 3.88Å; W85-Y120 HydrophobicContact CH2-CD1 3.88Å; W85-Y120 AromaticContact CH2-CD2 3.89Å; W85-Y120 HydrophobicContact CH2-CD2 3.89Å; W85-Y120 HydrophobicContact CH2-CE1 4.36Å; W85-Y120 HydrophobicContact CH2-CE2 4.4Å; W85-Y120 AromaticContact CH2-CG 3.63Å; W85-Y120 HydrophobicContact CH2-CG 3.63Å; W85-Y120 AromaticContact CZ3-CD1 3.96Å; W85-Y120 HydrophobicContact CZ3-CD1 3.96Å; W85-Y120 AromaticContact CZ3-CD2 3.64Å; W85-Y120 HydrophobicContact CZ3-CD2 3.64Å; W85-Y120 AromaticContact CZ3-CE1 3.99Å; W85-Y120 HydrophobicContact CZ3-CE1 3.99Å; W85-Y120 AromaticContact CZ3-CE2 3.71Å; W85-Y120 HydrophobicContact CZ3-CE2 3.71Å; W85-Y120 AromaticContact CZ3-CG 3.79Å; W85-Y120 HydrophobicContact CZ3-CG 3.79Å; W85-Y120 AromaticContact CZ3-CZ 3.89Å
86I78.7Confident79.4Confident13 Ų1342.1 Ų42.17%0.06722%0.222CC..G310 helixtrans-54.5-35-176.9-72.1-178.4000111.8E83 L84 S88 I116 Y120 K123E83-I86 HydrophobicContact CB-CD1 3.84Å; E83-I86 HydrophobicContact CB-CG1 4.41Å; E83-I86 HydrophobicContact CG-CD1 3.93Å; E83-I86 VanDerWaalsContact O-CB 3.23Å; E83-I86 WeakPolarHBondContact O-CB 3.35Å; E83-I86 WeakPolarHBondContact O-CG1 3.29Å; E83-I86 PolarHBondContact O-N 2.78Å; L84-I86 VanDerWaalsContact C-N 3.27Å; L84-I86 PolarHBondContact O-N 3.29Å; I86-S88 VanDerWaalsContact C-N 3.25Å; I86-S88 PolarHBondContact O-N 2.99Å; I86-I116 HydrophobicContact CD1-CG2 4.32Å; I86-Y120 HydrophobicContact CB-CD2 4.31Å; I86-Y120 HydrophobicContact CG1-CD2 4.18Å; I86-Y120 HydrophobicContact CG2-CD2 4.08Å; I86-K123 HydrophobicContact CG2-CD 3.5Å
87T67.6Low79.2Confident132 Ų13241 Ų4181%0.8122%0.215SC*.G310 helixtrans-70.8-21.2-177.2600000113.8L84 W85L84-T87 PolarHBondContact O-OG1 2.89Å; W85-T87 PolarHBondContact O-N 3.37Å; W85-T87 VanDerWaalsContact O-N 3.1Å
88S69.8Low78.5Confident43 Ų4342.7 Ų42.730%0.30123%0.233SC..THydrogen-bonded Turntrans-118.5-16.9-173.768.20000113.2N35 Y37 W85 I86N35-S88 WeakPolarHBondContact CB-O 3.49Å; N35-S88 PolarHBondContact ND2-O 2.87Å; Y37-S88 PolarHBondContact OH-OG 2.88Å; W85-S88 PolarHBondContact O-N 3.35Å; W85-S88 PolarHBondContact O-OG 2.99Å; W85-S88 VanDerWaalsContact O-OG 3.08Å; I86-S88 VanDerWaalsContact C-N 3.25Å; I86-S88 PolarHBondContact O-N 2.99Å
89G71.8Confident77.5Confident11 Ų1140 Ų4011%0.11323%0.225CC..EExtended strand (participates in β ladder)trans-74.2129.1-176.400000111.7Y37 W85 Y120Y37-G89 VanDerWaalsContact CD2-CA 3.49Å; W85-G89 PolarHBondContact O-N 3.15Å; G89-Y120 VanDerWaalsContact O-CE2 3.32Å; G89-Y120 WeakPolarHBondContact O-CE2 3.24Å; G89-Y120 PolarHBondContact O-OH 2.94Å
90K77.5Confident76.4Confident53 Ų5341.6 Ų41.623%0.2323%0.231CC..EExtended strand (participates in β ladder)trans-100.1-34.4170.3-85.2-170.1156.4-176.40113.1R30 M31 S32 I34 N35 Y120 R126R30-K90 WeakPolarHBondContact O-CE 3.32Å; M31-K90 PolarHBondContact O-NZ 3.5Å; S32-K90 WeakPolarHBondContact O-CD 3.04Å; S32-K90 WeakPolarHBondContact O-CE 3.21Å; S32-K90 PolarHBondContact O-NZ 2.76Å; I34-K90 HydrophobicContact CB-CB 4.29Å; I34-K90 HydrophobicContact CB-CD 4.18Å; I34-K90 HydrophobicContact CG1-CD 3.83Å; I34-K90 HydrophobicContact CG2-CB 3.66Å; I34-K90 HydrophobicContact CG2-CD 4.37Å; N35-K90 PolarHBondContact O-N 3.2Å; K90-Y120 WeakPolarHBondContact CA-OH 3.4Å; K90-Y120 PolarHBondContact N-OH 3.46Å; K90-Y120 PolarHBondContact O-OH 3.1Å; K90-R126 VanDerWaalsContact O-CB 3.29Å; K90-R126 WeakPolarHBondContact O-CB 3.41Å; K90-R126 PolarHBondContact O-N 2.81Å; K90-R126 VanDerWaalsContact O-N 3.09Å
91L88.2Confident74.8Confident0 Ų045.7 Ų45.70%025%0.253CS..EExtended strand (participates in β ladder)trans-127.7133.1173179.662.9000109.1I34 N35 I36 Y37 V93 Y120 R126 L128 L217 L220 I222I34-L91 HydrophobicContact CG2-CB 4.4Å; N35-L91 PolarHBondContact O-N 2.99Å; I36-L91 CarbonylContact C-O 3.54Å; I36-L91 WeakPolarHBondContact CA-O 3.45Å; I36-L91 HydrophobicContact CB-CB 4.44Å; I36-L91 HydrophobicContact CD1-CD2 4.21Å; I36-L91 HydrophobicContact CG1-CB 4.1Å; I36-L91 HydrophobicContact CG1-CD2 4.22Å; I36-L91 HydrophobicContact CG2-CB 4.25Å; I36-L91 HydrophobicContact CG2-CD2 3.81Å; I36-L91 HydrophobicContact CG2-CG 4.16Å; Y37-L91 PolarHBondContact N-O 2.51Å; L91-V93 HydrophobicContact CD2-CG2 3.83Å; L91-V93 HydrophobicContact CG-CG2 4.06Å; L91-Y120 PolarHBondContact N-OH 3.37Å; L91-R126 CarbonylContact C-O 3.58Å; L91-R126 VanDerWaalsContact CA-O 3.3Å; L91-R126 WeakPolarHBondContact CA-O 3.4Å; L91-R126 HydrophobicContact CD1-CB 4.08Å; L91-R126 WeakPolarHBondContact CD1-O 3.11Å; L91-L128 HydrophobicContact CD1-CB 3.95Å; L91-L217 HydrophobicContact CD2-CD2 3.62Å; L91-L220 HydrophobicContact CD1-CD1 3.66Å; L91-I222 HydrophobicContact CB-CD1 3.71Å; L91-I222 HydrophobicContact CD1-CD1 3.79Å; L91-I222 HydrophobicContact CD2-CD1 3.43Å; L91-I222 VanDerWaalsContact CD2-CD1 3.43Å; L91-I222 HydrophobicContact CG-CD1 3.81Å
92L91Very high73.1Confident0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-108.3119162.917874.3000108.8Y37 V39 L75 F80 W85 V94 V117 Y120 R126 V127 L128Y37-L92 CarbonylContact O-C 3.47Å; Y37-L92 WeakPolarHBondContact O-CA 3.39Å; V39-L92 HydrophobicContact CG1-CD1 4.01Å; L75-L92 HydrophobicContact CD1-CD1 3.93Å; F80-L92 HydrophobicContact CE2-CD1 4.48Å; F80-L92 HydrophobicContact CE2-CD2 4.09Å; W85-L92 HydrophobicContact CH2-CB 4.25Å; W85-L92 HydrophobicContact CH2-CD1 3.87Å; W85-L92 HydrophobicContact CH2-CD2 3.72Å; W85-L92 HydrophobicContact CH2-CG 4.15Å; W85-L92 HydrophobicContact CZ2-CD1 4.33Å; W85-L92 HydrophobicContact CZ2-CD2 4.35Å; W85-L92 HydrophobicContact CZ3-CB 4.11Å; W85-L92 HydrophobicContact CZ3-CD1 3.96Å; W85-L92 HydrophobicContact CZ3-CD2 4.4Å; W85-L92 HydrophobicContact CZ3-CG 4.37Å; L92-V94 HydrophobicContact CD2-CG2 3.47Å; L92-V94 VanDerWaalsContact CD2-CG2 3.47Å; L92-V94 HydrophobicContact CG-CG2 3.73Å; L92-V117 HydrophobicContact CD2-CG2 3.83Å; L92-Y120 HydrophobicContact CB-CD1 3.91Å; L92-Y120 HydrophobicContact CB-CE1 3.52Å; L92-Y120 HydrophobicContact CD2-CD1 4.37Å; L92-R126 PolarHBondContact N-O 2.95Å; L92-V127 HydrophobicContact CB-CG2 4.35Å; L92-V127 CarbonylContact O-C 3.47Å; L92-V127 VanDerWaalsContact O-CA 3.29Å; L92-V127 WeakPolarHBondContact O-CA 3.45Å; L92-L128 PolarHBondContact O-N 3.29Å
93V90.1Very high71.5Confident1 Ų157.4 Ų57.41%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-93.2110.4171.1-172.90000108.4I36 Y37 Y38 V39 I61 L91 L95 L128 I130I36-V93 HydrophobicContact CG2-CG2 3.69Å; Y37-V93 PolarHBondContact O-N 3.18Å; Y38-V93 CarbonylContact C-O 3.54Å; Y38-V93 WeakPolarHBondContact CA-O 3.46Å; V39-V93 PolarHBondContact N-O 3.34Å; I61-V93 HydrophobicContact CD1-CG1 4.02Å; I61-V93 HydrophobicContact CD1-CG2 4.1Å; L91-V93 HydrophobicContact CD2-CG2 3.83Å; L91-V93 HydrophobicContact CG-CG2 4.06Å; V93-L95 HydrophobicContact CG1-CD2 3.79Å; V93-L95 HydrophobicContact CG1-CG 4.19Å; V93-L128 CarbonylContact C-O 3.4Å; V93-L128 VanDerWaalsContact CA-O 3.23Å; V93-L128 WeakPolarHBondContact CA-O 3.49Å; V93-L128 HydrophobicContact CG1-CD2 4.33Å; V93-L128 HydrophobicContact CG1-CG 4.48Å; V93-L128 HydrophobicContact CG2-CB 4.31Å; V93-L128 HydrophobicContact CG2-CD2 4.36Å; V93-I130 HydrophobicContact CG1-CD1 4.17Å
94V89.3Confident70Confident1 Ų157.5 Ų57.51%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-100.5121.5177.8-176.60000108.2W5 V39 L92 V117 V127 L128 L129 I130W5-V94 HydrophobicContact CZ2-CG1 4.32Å; V39-V94 HydrophobicContact CG1-CB 4.41Å; V39-V94 HydrophobicContact CG1-CG1 4.33Å; V39-V94 HydrophobicContact CG1-CG2 4Å; L92-V94 HydrophobicContact CD2-CG2 3.47Å; L92-V94 VanDerWaalsContact CD2-CG2 3.47Å; L92-V94 HydrophobicContact CG-CG2 3.73Å; V94-V117 HydrophobicContact CG2-CG2 4.16Å; V94-V127 HydrophobicContact CG2-CG1 4.17Å; V94-L128 PolarHBondContact N-O 2.84Å; V94-L129 HydrophobicContact CB-CD1 3.67Å; V94-L129 HydrophobicContact CG1-CD1 3.66Å; V94-L129 WeakPolarHBondContact O-CA 3.25Å; V94-I130 PolarHBondContact O-N 2.87Å
95L85.2Confident69.1Low10 Ų1057.6 Ų57.65%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-108.4124.2-179-58.5178.4000108.6V39 L40 S41 Y54 L57 V93 S97 I130V39-L95 PolarHBondContact O-N 2.74Å; L40-L95 WeakPolarHBondContact CA-O 3.46Å; L40-L95 HydrophobicContact CD1-CB 4.1Å; S41-L95 PolarHBondContact N-O 2.85Å; Y54-L95 HydrophobicContact CD2-CD1 3.19Å; Y54-L95 HydrophobicContact CD2-CG 4.44Å; Y54-L95 HydrophobicContact CE2-CD1 3.18Å; Y54-L95 HydrophobicContact CE2-CG 4.38Å; Y54-L95 HydrophobicContact CG-CD1 4.18Å; L57-L95 HydrophobicContact CD2-CD1 4.07Å; L57-L95 HydrophobicContact CD2-CD2 3.42Å; L57-L95 VanDerWaalsContact CD2-CD2 3.42Å; L57-L95 HydrophobicContact CD2-CG 4.42Å; V93-L95 HydrophobicContact CG1-CD2 3.79Å; V93-L95 HydrophobicContact CG1-CG 4.19Å; L95-S97 PolarHBondContact O-N 3.05Å; L95-I130 HydrophobicContact CD2-CB 3.6Å; L95-I130 HydrophobicContact CD2-CD1 3.76Å; L95-I130 HydrophobicContact CD2-CG1 4.04Å; L95-I130 HydrophobicContact CD2-CG2 4.26Å
96E80.2Confident68.3Low14 Ų1458.2 Ų58.27%0.06532%0.316CS..EExtended strand (participates in β ladder)trans-71.2128.3176.6-171.8169-156.400111T4 W5 S6 S41 I130 L131 N132T4-E96 WeakPolarHBondContact CB-OE1 3.4Å; T4-E96 PolarHBondContact OG1-OE1 3.22Å; W5-E96 PolarHBondContact N-OE1 3.45Å; S6-E96 WeakPolarHBondContact CB-OE1 3.5Å; S6-E96 VanDerWaalsContact CB-OE2 3.27Å; S6-E96 WeakPolarHBondContact CB-OE2 3.37Å; S6-E96 PolarHBondContact N-OE1 3.03Å; S6-E96 PolarHBondContact N-OE2 2.7Å; S6-E96 VanDerWaalsContact OG-CD 3.28Å; S6-E96 PolarHBondContact OG-OE1 3.01Å; S6-E96 PolarHBondContact OG-OE2 3.21Å; S41-E96 CarbonylContact O-C 3.56Å; S41-E96 VanDerWaalsContact O-CA 3.3Å; S41-E96 WeakPolarHBondContact O-CA 3.4Å; E96-I130 PolarHBondContact N-O 3.21Å; E96-L131 WeakPolarHBondContact OE2-CA 3.39Å; E96-N132 HydrophobicContact CB-CB 4.37Å; E96-N132 HydrophobicContact CG-CB 4.49Å; E96-N132 PolarHBondContact OE2-N 3.09Å
97S68.7Low67.5Low14 Ų1459.6 Ų59.610%0.09833%0.327CS..  trans-65.4138.7175.2-175.70000111.1S41 L95 L99S41-S97 PolarHBondContact O-N 3.48Å; L95-S97 PolarHBondContact O-N 3.05Å; S97-L99 PolarHBondContact O-N 3.09Å
98S59.5Low67.6Low77 Ų7758.1 Ų58.154%0.53832%0.317SS..SBendtrans-74.8-1.2179.662.70000114.7F100 N132S98-F100 PolarHBondContact O-N 2.94Å; S98-F100 VanDerWaalsContact O-N 3.09Å; S98-N132 WeakPolarHBondContact CA-ND2 3.49Å; S98-N132 WeakPolarHBondContact CB-ND2 3.49Å
99L53.5Low67.8Low96 Ų9658.7 Ų58.750%0.50332%0.317SS..  trans-85.882.5-173.6-66164000110.5S97 I101S97-L99 PolarHBondContact O-N 3.09Å; L99-I101 HydrophobicContact CB-CD1 4.4Å; L99-I101 HydrophobicContact CB-CG1 4.23Å; L99-I101 HydrophobicContact CD2-CD1 3.75Å; L99-I101 HydrophobicContact CD2-CG1 4.14Å; L99-I101 PolarHBondContact O-N 3.28Å
100F52.5Low68.4Low80 Ų8058.2 Ų58.235%0.35131%0.311SS..  trans-71.169.7153.7-86.3-83.2000108.7I7 S98 V136I7-F100 HydrophobicContact CD1-CE1 3.79Å; I7-F100 HydrophobicContact CD1-CZ 4.08Å; S98-F100 PolarHBondContact O-N 2.94Å; S98-F100 VanDerWaalsContact O-N 3.09Å; F100-V136 HydrophobicContact CD2-CG2 4.12Å; F100-V136 HydrophobicContact CE1-CG2 3.88Å; F100-V136 HydrophobicContact CE2-CG2 3.4Å; F100-V136 VanDerWaalsContact CE2-CG2 3.4Å; F100-V136 HydrophobicContact CZ-CG2 3.28Å
101I47.2Very low68.8Low88 Ų8859 Ų5945%0.45132%0.316SS..  trans-95.7111.8167.5-59.5178.9000106.4L99 D103 V104L99-I101 HydrophobicContact CB-CD1 4.4Å; L99-I101 HydrophobicContact CB-CG1 4.23Å; L99-I101 HydrophobicContact CD2-CD1 3.75Å; L99-I101 HydrophobicContact CD2-CG1 4.14Å; L99-I101 PolarHBondContact O-N 3.28Å; I101-D103 HydrophobicContact CG2-CB 4.42Å; I101-D103 PolarHBondContact O-N 3.4Å; I101-V104 HydrophobicContact CB-CG2 3.87Å; I101-V104 HydrophobicContact CG2-CG2 3.82Å; I101-V104 PolarHBondContact O-N 3.43Å
102E47.7Very low68.7Low198 Ų19863.4 Ų63.493%0.92534%0.335SS*.THydrogen-bonded Turntrans-57.9-7.1-176.8-69.3-176.1146.400114.3
103D49Very low68.6Low158 Ų15863.4 Ų63.485%0.84534%0.335SS*.THydrogen-bonded Turntrans-116.213.6-172.4-78.5-34.3000116.4I101I101-D103 HydrophobicContact CG2-CB 4.42Å; I101-D103 PolarHBondContact O-N 3.4Å
104V51.6Low68.6Low71 Ų7163.3 Ų63.343%0.4334%0.335SS..  trans-105.6142.2-174.2-176.20000113.5I101 H106I101-V104 HydrophobicContact CB-CG2 3.87Å; I101-V104 HydrophobicContact CG2-CG2 3.82Å; I101-V104 PolarHBondContact O-N 3.43Å; V104-H106 VanDerWaalsContact CB-CD2 3.46Å; V104-H106 WeakPolarHBondContact CB-CD2 3.27Å; V104-H106 WeakPolarHBondContact CB-NE2 3.16Å; V104-H106 VanDerWaalsContact CG1-CE1 3.46Å; V104-H106 WeakPolarHBondContact CG1-CE1 3.33Å; V104-H106 VanDerWaalsContact CG1-NE2 3.25Å; V104-H106 WeakPolarHBondContact CG1-NE2 3.34Å; V104-H106 PolarHBondContact O-N 3.09Å
105L54.7Low68.6Low141 Ų14165.9 Ų65.974%0.73835%0.351SS*.  trans-62.429.1-178.6-131.6100.1000115.4S107L105-S107 PolarHBondContact O-N 2.87Å; L105-S107 VanDerWaalsContact O-N 3.15Å
106H60.1Low68.8Low22 Ų2265.6 Ų65.610%0.10235%0.349CS..Hα-helixtrans-65.3-18-170.9-71.1-55.1000114.7P42 V104 V108 D109 F110P42-H106 HydrophobicContact CG-CB 4.19Å; V104-H106 VanDerWaalsContact CB-CD2 3.46Å; V104-H106 WeakPolarHBondContact CB-CD2 3.27Å; V104-H106 WeakPolarHBondContact CB-NE2 3.16Å; V104-H106 VanDerWaalsContact CG1-CE1 3.46Å; V104-H106 WeakPolarHBondContact CG1-CE1 3.33Å; V104-H106 VanDerWaalsContact CG1-NE2 3.25Å; V104-H106 WeakPolarHBondContact CG1-NE2 3.34Å; V104-H106 PolarHBondContact O-N 3.09Å; H106-V108 PolarHBondContact O-N 3.43Å; H106-D109 PolarHBondContact O-N 3.45Å; H106-F110 WeakPolarHBondContact O-CB 3.3Å; H106-F110 PolarHBondContact O-N 3.39Å
107S62.2Low69.4Low42 Ų4265 Ų6529%0.29435%0.346SS..Hα-helixtrans-62.8-41.1-175.664.10000112.7L105 Q111L105-S107 PolarHBondContact O-N 2.87Å; L105-S107 VanDerWaalsContact O-N 3.15Å; S107-Q111 VanDerWaalsContact O-CG 3.3Å; S107-Q111 WeakPolarHBondContact O-CG 3.5Å; S107-Q111 PolarHBondContact O-N 2.78Å
108V69.4Low70.4Confident100 Ų10064.3 Ų64.361%0.60634%0.341SS*.Hα-helixtrans-71.4-44.5179.6179.90000110.7H106 K112H106-V108 PolarHBondContact O-N 3.43Å; V108-K112 PolarHBondContact O-N 3.01Å
109D75.4Confident71.7Confident56 Ų5663.7 Ų63.730%0.29933%0.33SS..Hα-helixtrans-64.3-43177.9-87.4-43.3000112.1R77 H106 K112 D113R77-D109 IonicContact CZ-OD1 3.4Å; R77-D109 IonicContact NE-OD1 3.6Å; R77-D109 IonicContact NH2-OD1 2.95Å; R77-D109 PolarHBondContact NH2-OD1 3.09Å; H106-D109 PolarHBondContact O-N 3.45Å; D109-K112 PolarHBondContact O-N 2.78Å; D109-D113 PolarHBondContact O-N 3.24Å
110F84.1Confident73.4Confident0 Ų059.2 Ų59.20%031%0.306CS..Hα-helixtrans-63.6-43.3179.5179-102000112.3S2 T4 W5 L8 P42 H106 K112 D113 L114S2-F110 WeakPolarHBondContact O-CD1 3.22Å; S2-F110 WeakPolarHBondContact O-CE1 3.33Å; T4-F110 WeakPolarHBondContact O-CZ 3.08Å; W5-F110 HydrophobicContact CB-CE2 4.43Å; W5-F110 AromaticContact CD1-CE2 3.96Å; W5-F110 AromaticContact CD2-CE2 3.8Å; W5-F110 HydrophobicContact CD2-CE2 3.8Å; W5-F110 HydrophobicContact CD2-CZ 4.42Å; W5-F110 AromaticContact CE2-CE2 3.92Å; W5-F110 HydrophobicContact CE3-CE2 4.34Å; W5-F110 AromaticContact CG-CE2 3.83Å; W5-F110 HydrophobicContact CG-CE2 3.83Å; W5-F110 AromaticContact NE1-CE2 3.97Å; L8-F110 HydrophobicContact CB-CZ 4.2Å; L8-F110 HydrophobicContact CD1-CE1 4.22Å; L8-F110 HydrophobicContact CD1-CZ 4.23Å; L8-F110 HydrophobicContact CD2-CZ 4.18Å; L8-F110 HydrophobicContact CG-CZ 4.43Å; P42-F110 HydrophobicContact CB-CB 3.88Å; P42-F110 HydrophobicContact CB-CD2 4.2Å; P42-F110 HydrophobicContact CG-CB 4.38Å; P42-F110 HydrophobicContact CG-CD2 4.33Å; H106-F110 WeakPolarHBondContact O-CB 3.3Å; H106-F110 PolarHBondContact O-N 3.39Å; F110-K112 VanDerWaalsContact C-N 3.31Å; F110-K112 PolarHBondContact O-N 3.44Å; F110-D113 PolarHBondContact O-N 2.96Å; F110-L114 HydrophobicContact CE1-CD2 4.11Å; F110-L114 HydrophobicContact CZ-CD2 4.47Å; F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.2Å; F110-L114 PolarHBondContact O-N 2.78Å
111Q84.5Confident75Confident69 Ų6955.4 Ų55.432%0.32229%0.29SS..Hα-helixtrans-65.1-36.3177.8-69.7-59.2-40.800112.2S107 T115S107-Q111 VanDerWaalsContact O-CG 3.3Å; S107-Q111 WeakPolarHBondContact O-CG 3.5Å; S107-Q111 PolarHBondContact O-N 2.78Å; Q111-T115 WeakPolarHBondContact O-CB 3.38Å; Q111-T115 PolarHBondContact O-N 2.89Å; Q111-T115 PolarHBondContact O-OG1 2.66Å
112K85.9Confident76.7Confident93 Ų9351.4 Ų51.440%0.40427%0.27SS..Hα-helixtrans-63.9-44.5172.7-167.9-176.6-178.3-168.30111.1S81 V108 D109 F110 T115 I116S81-K112 PolarHBondContact OG-NZ 2.85Å; S81-K112 VanDerWaalsContact OG-NZ 3.09Å; V108-K112 PolarHBondContact O-N 3.01Å; D109-K112 PolarHBondContact O-N 2.78Å; F110-K112 VanDerWaalsContact C-N 3.31Å; F110-K112 PolarHBondContact O-N 3.44Å; K112-T115 WeakPolarHBondContact O-CB 3.24Å; K112-T115 PolarHBondContact O-N 3.06Å; K112-I116 HydrophobicContact CG-CD1 4.18Å; K112-I116 WeakPolarHBondContact O-CG1 3.46Å; K112-I116 PolarHBondContact O-N 3.47Å
113D89Confident78Confident0 Ų046.5 Ų46.50%025%0.246CC..Hα-helixtrans-63.5-46.8-179.9-67.35.9000111.7S41 R77 F80 D109 F110 T115 I116 V117S41-D113 WeakPolarHBondContact CB-OD2 3.38Å; S41-D113 PolarHBondContact OG-OD2 2.89Å; R77-D113 IonicContact CZ-OD1 3.5Å; R77-D113 IonicContact CZ-OD2 2.73Å; R77-D113 IonicContact NH1-OD1 2.72Å; R77-D113 PolarHBondContact NH1-OD1 3.41Å; R77-D113 IonicContact NH1-OD2 3.48Å; R77-D113 PolarHBondContact NH1-OD2 3.37Å; R77-D113 IonicContact NH2-OD1 2.78Å; R77-D113 PolarHBondContact NH2-OD1 3.21Å; F80-D113 HydrophobicContact CE1-CB 4.12Å; F80-D113 WeakPolarHBondContact CE1-OD1 3.44Å; F80-D113 HydrophobicContact CZ-CB 4.41Å; D109-D113 PolarHBondContact O-N 3.24Å; F110-D113 PolarHBondContact O-N 2.96Å; D113-T115 VanDerWaalsContact C-N 3.26Å; D113-T115 PolarHBondContact O-N 3.05Å; D113-I116 PolarHBondContact O-N 3.37Å; D113-V117 WeakPolarHBondContact O-CB 3.46Å; D113-V117 VanDerWaalsContact O-CG2 3.27Å; D113-V117 WeakPolarHBondContact O-CG2 3.4Å; D113-V117 PolarHBondContact O-N 2.99Å
114L90.1Very high79.3Confident0 Ų040.1 Ų40.10%022%0.217CC..Hα-helixtrans-58.2-41.6176.4-175.659000111W5 L8 F13 F110 T118W5-L114 HydrophobicContact CH2-CB 4.44Å; W5-L114 HydrophobicContact CH2-CD1 3.57Å; W5-L114 HydrophobicContact CZ3-CD1 3.57Å; L8-L114 HydrophobicContact CD1-CD2 4.15Å; L8-L114 HydrophobicContact CD2-CD1 3.79Å; L8-L114 HydrophobicContact CD2-CD2 4.3Å; F13-L114 HydrophobicContact CD2-CD1 3.75Å; F13-L114 HydrophobicContact CE2-CD1 3.74Å; F110-L114 HydrophobicContact CE1-CD2 4.11Å; F110-L114 HydrophobicContact CZ-CD2 4.47Å; F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.2Å; F110-L114 PolarHBondContact O-N 2.78Å; L114-T118 HydrophobicContact CD1-CG2 4.34Å; L114-T118 WeakPolarHBondContact O-CB 3.43Å; L114-T118 WeakPolarHBondContact O-CG2 3.25Å; L114-T118 PolarHBondContact O-N 2.98Å; L114-T118 PolarHBondContact O-OG1 3.2Å; L114-T118 VanDerWaalsContact O-OG1 3.09Å
115T89.8Confident80.8Confident55 Ų5537 Ų3734%0.33720%0.199SC..Hα-helixtrans-61.7-52.9176.1-56.10000111.5Q111 K112 D113 V117 T118 E119Q111-T115 WeakPolarHBondContact O-CB 3.38Å; Q111-T115 PolarHBondContact O-N 2.89Å; Q111-T115 PolarHBondContact O-OG1 2.66Å; K112-T115 WeakPolarHBondContact O-CB 3.24Å; K112-T115 PolarHBondContact O-N 3.06Å; D113-T115 VanDerWaalsContact C-N 3.26Å; D113-T115 PolarHBondContact O-N 3.05Å; T115-V117 VanDerWaalsContact C-N 3.33Å; T115-V117 PolarHBondContact O-N 3.47Å; T115-T118 PolarHBondContact O-N 3.49Å; T115-T118 VanDerWaalsContact O-N 3.15Å; T115-T118 PolarHBondContact O-OG1 2.82Å; T115-E119 WeakPolarHBondContact O-CG 3.36Å; T115-E119 PolarHBondContact O-N 3.34Å
116I90.4Very high82.5Confident3 Ų331.8 Ų31.82%0.01517%0.169CC..Hα-helixtrans-57.2-45.3179.2-68.7168000111.2F80 E83 W85 I86 K112 D113 E119 Y120F80-I116 HydrophobicContact CD1-CD1 3.97Å; F80-I116 HydrophobicContact CD2-CG2 4.48Å; F80-I116 HydrophobicContact CE1-CB 4.07Å; F80-I116 HydrophobicContact CE1-CD1 3.63Å; F80-I116 HydrophobicContact CE1-CG1 4.44Å; F80-I116 HydrophobicContact CE1-CG2 4Å; F80-I116 HydrophobicContact CE2-CG2 3.8Å; F80-I116 HydrophobicContact CZ-CB 3.84Å; F80-I116 HydrophobicContact CZ-CD1 4.28Å; F80-I116 HydrophobicContact CZ-CG2 3.53Å; E83-I116 HydrophobicContact CG-CD1 4.48Å; E83-I116 HydrophobicContact CG-CG1 4.3Å; E83-I116 HydrophobicContact CG-CG2 4.47Å; W85-I116 HydrophobicContact CZ2-CG2 3.79Å; I86-I116 HydrophobicContact CD1-CG2 4.32Å; K112-I116 HydrophobicContact CG-CD1 4.18Å; K112-I116 WeakPolarHBondContact O-CG1 3.46Å; K112-I116 PolarHBondContact O-N 3.47Å; D113-I116 PolarHBondContact O-N 3.37Å; I116-E119 PolarHBondContact O-N 3.14Å; I116-Y120 WeakPolarHBondContact O-CB 3.18Å; I116-Y120 PolarHBondContact O-N 3.42Å
117V91.2Very high84Confident1 Ų130.8 Ų30.81%0.00617%0.165CC..Hα-helixtrans-62.8-43.8178.11720000111.3W5 F80 L92 V94 D113 T115 E119 Y120 I121 V127W5-V117 HydrophobicContact CH2-CB 3.97Å; W5-V117 HydrophobicContact CH2-CG1 3.93Å; W5-V117 HydrophobicContact CH2-CG2 4.01Å; W5-V117 HydrophobicContact CZ2-CB 4.39Å; W5-V117 HydrophobicContact CZ2-CG2 3.93Å; F80-V117 HydrophobicContact CZ-CG2 4.22Å; L92-V117 HydrophobicContact CD2-CG2 3.83Å; V94-V117 HydrophobicContact CG2-CG2 4.16Å; D113-V117 WeakPolarHBondContact O-CB 3.46Å; D113-V117 VanDerWaalsContact O-CG2 3.27Å; D113-V117 WeakPolarHBondContact O-CG2 3.4Å; D113-V117 PolarHBondContact O-N 2.99Å; T115-V117 VanDerWaalsContact C-N 3.33Å; T115-V117 PolarHBondContact O-N 3.47Å; V117-E119 PolarHBondContact O-N 3.08Å; V117-Y120 PolarHBondContact O-N 2.75Å; V117-I121 HydrophobicContact CG1-CD1 4.01Å; V117-I121 WeakPolarHBondContact O-CG1 3.4Å; V117-I121 PolarHBondContact O-N 3.45Å; V117-V127 HydrophobicContact CG1-CG1 4.23Å; V117-V127 HydrophobicContact CG1-CG2 4.06Å
118T89.7Confident85.5Confident0 Ų028.8 Ų28.80%015%0.151CC..Hα-helixtrans-66.1-36.9178.656.30000112.9F13 Q16 L17 L114 T115 A122F13-T118 HydrophobicContact CD2-CG2 4.19Å; F13-T118 HydrophobicContact CE2-CG2 3.72Å; Q16-T118 HydrophobicContact CB-CG2 4.39Å; Q16-T118 HydrophobicContact CG-CG2 3.98Å; L17-T118 HydrophobicContact CD2-CG2 3.76Å; L17-T118 HydrophobicContact CG-CG2 3.97Å; L114-T118 HydrophobicContact CD1-CG2 4.34Å; L114-T118 WeakPolarHBondContact O-CB 3.43Å; L114-T118 WeakPolarHBondContact O-CG2 3.25Å; L114-T118 PolarHBondContact O-N 2.98Å; L114-T118 PolarHBondContact O-OG1 3.2Å; L114-T118 VanDerWaalsContact O-OG1 3.09Å; T115-T118 PolarHBondContact O-N 3.49Å; T115-T118 VanDerWaalsContact O-N 3.15Å; T115-T118 PolarHBondContact O-OG1 2.82Å; T118-A122 WeakPolarHBondContact O-CB 3.23Å; T118-A122 PolarHBondContact O-N 3.39Å
119E87.7Confident86.6Confident64 Ų6424 Ų2430%0.29912%0.122SC..Hα-helixtrans-68.6-39.4174.2-70.9-172.2-17400112.6V20 T115 I116 V117 A122 K123V20-E119 HydrophobicContact CG1-CG 4.35Å; T115-E119 WeakPolarHBondContact O-CG 3.36Å; T115-E119 PolarHBondContact O-N 3.34Å; I116-E119 PolarHBondContact O-N 3.14Å; V117-E119 PolarHBondContact O-N 3.08Å; E119-A122 PolarHBondContact O-N 2.9Å; E119-K123 WeakPolarHBondContact O-CG 3.47Å; E119-K123 PolarHBondContact O-N 2.89Å
120Y88.5Confident87.2Confident2 Ų221.5 Ų21.51%0.00811%0.108CC..Hα-helixtrans-61.6-45.9175175.8-118.9000111.7W85 I86 G89 K90 L91 L92 I116 V117 A122 K123 G125 R126 V127W85-Y120 AromaticContact CH2-CD1 3.88Å; W85-Y120 HydrophobicContact CH2-CD1 3.88Å; W85-Y120 AromaticContact CH2-CD2 3.89Å; W85-Y120 HydrophobicContact CH2-CD2 3.89Å; W85-Y120 HydrophobicContact CH2-CE1 4.36Å; W85-Y120 HydrophobicContact CH2-CE2 4.4Å; W85-Y120 AromaticContact CH2-CG 3.63Å; W85-Y120 HydrophobicContact CH2-CG 3.63Å; W85-Y120 AromaticContact CZ3-CD1 3.96Å; W85-Y120 HydrophobicContact CZ3-CD1 3.96Å; W85-Y120 AromaticContact CZ3-CD2 3.64Å; W85-Y120 HydrophobicContact CZ3-CD2 3.64Å; W85-Y120 AromaticContact CZ3-CE1 3.99Å; W85-Y120 HydrophobicContact CZ3-CE1 3.99Å; W85-Y120 AromaticContact CZ3-CE2 3.71Å; W85-Y120 HydrophobicContact CZ3-CE2 3.71Å; W85-Y120 AromaticContact CZ3-CG 3.79Å; W85-Y120 HydrophobicContact CZ3-CG 3.79Å; W85-Y120 AromaticContact CZ3-CZ 3.89Å; I86-Y120 HydrophobicContact CB-CD2 4.31Å; I86-Y120 HydrophobicContact CG1-CD2 4.18Å; I86-Y120 HydrophobicContact CG2-CD2 4.08Å; G89-Y120 VanDerWaalsContact O-CE2 3.32Å; G89-Y120 WeakPolarHBondContact O-CE2 3.24Å; G89-Y120 PolarHBondContact O-OH 2.94Å; K90-Y120 WeakPolarHBondContact CA-OH 3.4Å; K90-Y120 PolarHBondContact N-OH 3.46Å; K90-Y120 PolarHBondContact O-OH 3.1Å; L91-Y120 PolarHBondContact N-OH 3.37Å; L92-Y120 HydrophobicContact CB-CD1 3.91Å; L92-Y120 HydrophobicContact CB-CE1 3.52Å; L92-Y120 HydrophobicContact CD2-CD1 4.37Å; I116-Y120 WeakPolarHBondContact O-CB 3.18Å; I116-Y120 PolarHBondContact O-N 3.42Å; V117-Y120 PolarHBondContact O-N 2.75Å; Y120-A122 VanDerWaalsContact C-N 3.34Å; Y120-A122 PolarHBondContact O-N 3.46Å; Y120-K123 PolarHBondContact O-N 2.9Å; Y120-G125 WeakPolarHBondContact O-CA 3.47Å; Y120-G125 PolarHBondContact O-N 2.99Å; Y120-R126 WeakPolarHBondContact CE1-O 3.47Å; Y120-V127 HydrophobicContact CD1-CG2 3.84Å; Y120-V127 HydrophobicContact CE1-CG2 4.11Å
121I87.7Confident87.3Confident0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-59.2-45174.4-70.3168.1000111F13 L17 F21 V117 K123 G124 V127 W165 L197 I198F13-I121 HydrophobicContact CZ-CD1 4.49Å; L17-I121 HydrophobicContact CD2-CB 4.09Å; L17-I121 HydrophobicContact CD2-CD1 4.07Å; L17-I121 HydrophobicContact CD2-CG2 3.86Å; F21-I121 HydrophobicContact CE2-CG2 4.1Å; F21-I121 HydrophobicContact CZ-CG2 4Å; V117-I121 HydrophobicContact CG1-CD1 4.01Å; V117-I121 WeakPolarHBondContact O-CG1 3.4Å; V117-I121 PolarHBondContact O-N 3.45Å; I121-K123 PolarHBondContact O-N 2.92Å; I121-G124 PolarHBondContact O-N 3.06Å; I121-V127 HydrophobicContact CD1-CB 4.28Å; I121-V127 HydrophobicContact CD1-CG2 3.8Å; I121-V127 HydrophobicContact CG1-CB 4.37Å; I121-V127 HydrophobicContact CG1-CG2 3.51Å; I121-W165 HydrophobicContact CG2-CH2 3.92Å; I121-W165 HydrophobicContact CG2-CZ3 3.9Å; I121-L197 HydrophobicContact CG2-CB 3.99Å; I121-L197 HydrophobicContact CG2-CD1 3.9Å; I121-I198 HydrophobicContact CD1-CD1 4.3Å
122A81Confident87Confident4 Ų418.9 Ų18.93%0.03310%0.097CC..Hα-helixtrans-64.3-27.2179.800000113.6V20 F21 T118 E119 Y120 G124V20-A122 HydrophobicContact CB-CB 4.2Å; V20-A122 HydrophobicContact CG1-CB 3.31Å; F21-A122 HydrophobicContact CD1-CB 4.45Å; F21-A122 HydrophobicContact CE1-CB 4.34Å; F21-A122 HydrophobicContact CZ-CB 4.38Å; T118-A122 WeakPolarHBondContact O-CB 3.23Å; T118-A122 PolarHBondContact O-N 3.39Å; E119-A122 PolarHBondContact O-N 2.9Å; Y120-A122 VanDerWaalsContact C-N 3.34Å; Y120-A122 PolarHBondContact O-N 3.46Å; A122-G124 PolarHBondContact O-N 3Å
123K76.1Confident86.4Confident96 Ų9615 Ų1542%0.4178%0.081SC..THydrogen-bonded Turntrans-80.45.5172.6-70.4169.9-179.4167.50113.5I86 E119 Y120 I121I86-K123 HydrophobicContact CG2-CD 3.5Å; E119-K123 WeakPolarHBondContact O-CG 3.47Å; E119-K123 PolarHBondContact O-N 2.89Å; Y120-K123 PolarHBondContact O-N 2.9Å; I121-K123 PolarHBondContact O-N 2.92Å
124G77.1Confident85.3Confident24 Ų2417.2 Ų17.225%0.2479%0.094CC..THydrogen-bonded Turntrans93.84.7179.500000114.7I121 A122 R126I121-G124 PolarHBondContact O-N 3.06Å; A122-G124 PolarHBondContact O-N 3Å; G124-R126 PolarHBondContact O-NH1 3.09Å
125G82.3Confident83.7Confident4 Ų425.1 Ų25.14%0.04113%0.131CC..  trans-63.2150.6175.200000113Y120Y120-G125 WeakPolarHBondContact O-CA 3.47Å; Y120-G125 PolarHBondContact O-N 2.99Å
126R90Very high82.3Confident32 Ų3224.3 Ų24.312%0.12113%0.126CC..EExtended strand (participates in β ladder)trans-104.2141.9172.8-58.7-60.4-167.6-100.48.8110.2K90 L91 L92 Y120 G124 P196 L197 L220K90-R126 VanDerWaalsContact O-CB 3.29Å; K90-R126 WeakPolarHBondContact O-CB 3.41Å; K90-R126 PolarHBondContact O-N 2.81Å; K90-R126 VanDerWaalsContact O-N 3.09Å; L91-R126 CarbonylContact C-O 3.58Å; L91-R126 VanDerWaalsContact CA-O 3.3Å; L91-R126 WeakPolarHBondContact CA-O 3.4Å; L91-R126 HydrophobicContact CD1-CB 4.08Å; L91-R126 WeakPolarHBondContact CD1-O 3.11Å; L92-R126 PolarHBondContact N-O 2.95Å; Y120-R126 WeakPolarHBondContact CE1-O 3.47Å; G124-R126 PolarHBondContact O-NH1 3.09Å; R126-P196 WeakPolarHBondContact CD-O 3.23Å; R126-P196 PolarHBondContact NE-O 3.09Å; R126-L197 CarbonylContact C-O 3.47Å; R126-L197 VanDerWaalsContact CA-O 3.28Å; R126-L197 WeakPolarHBondContact CA-O 3.45Å; R126-L220 HydrophobicContact CB-CB 4.36Å; R126-L220 HydrophobicContact CB-CD2 4.21Å; R126-L220 PolarHBondContact NE-O 3.21Å
127V92.9Very high80.7Confident1 Ų131.5 Ų31.51%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-124.1128.4-178.2178.40000110.4L92 V94 V117 Y120 I121 L197 I198 A199L92-V127 HydrophobicContact CB-CG2 4.35Å; L92-V127 CarbonylContact O-C 3.47Å; L92-V127 VanDerWaalsContact O-CA 3.29Å; L92-V127 WeakPolarHBondContact O-CA 3.45Å; V94-V127 HydrophobicContact CG2-CG1 4.17Å; V117-V127 HydrophobicContact CG1-CG1 4.23Å; V117-V127 HydrophobicContact CG1-CG2 4.06Å; Y120-V127 HydrophobicContact CD1-CG2 3.84Å; Y120-V127 HydrophobicContact CE1-CG2 4.11Å; I121-V127 HydrophobicContact CD1-CB 4.28Å; I121-V127 HydrophobicContact CD1-CG2 3.8Å; I121-V127 HydrophobicContact CG1-CB 4.37Å; I121-V127 HydrophobicContact CG1-CG2 3.51Å; V127-L197 PolarHBondContact N-O 2.7Å; V127-I198 HydrophobicContact CB-CB 4.36Å; V127-I198 HydrophobicContact CB-CD1 4.13Å; V127-I198 HydrophobicContact CB-CG1 3.91Å; V127-I198 HydrophobicContact CG1-CD1 3.95Å; V127-I198 HydrophobicContact CG1-CG1 4.05Å; V127-I198 CarbonylContact O-C 3.56Å; V127-I198 VanDerWaalsContact O-CA 3.23Å; V127-I198 WeakPolarHBondContact O-CA 3.29Å; V127-I198 WeakPolarHBondContact O-CG1 3.48Å; V127-A199 PolarHBondContact O-N 3.31Å
128L93.2Very high79.6Confident0 Ų038.9 Ų38.90%020%0.204CC..EExtended strand (participates in β ladder)trans-106.9110.1166.317863.3000108L91 L92 V93 V94 I130 A199 L201 L213 A216 L217 L220L91-L128 HydrophobicContact CD1-CB 3.95Å; L92-L128 PolarHBondContact O-N 3.29Å; V93-L128 CarbonylContact C-O 3.4Å; V93-L128 VanDerWaalsContact CA-O 3.23Å; V93-L128 WeakPolarHBondContact CA-O 3.49Å; V93-L128 HydrophobicContact CG1-CD2 4.33Å; V93-L128 HydrophobicContact CG1-CG 4.48Å; V93-L128 HydrophobicContact CG2-CB 4.31Å; V93-L128 HydrophobicContact CG2-CD2 4.36Å; V94-L128 PolarHBondContact N-O 2.84Å; L128-I130 HydrophobicContact CD2-CD1 4.09Å; L128-I130 HydrophobicContact CG-CD1 4.22Å; L128-I130 HydrophobicContact CG-CG1 4.16Å; L128-A199 CarbonylContact C-O 3.57Å; L128-A199 WeakPolarHBondContact CA-O 3.43Å; L128-A199 HydrophobicContact CD1-CB 4.13Å; L128-L201 HydrophobicContact CD1-CD1 4.14Å; L128-L213 HydrophobicContact CD2-CD1 3.77Å; L128-A216 HydrophobicContact CD1-CB 3.86Å; L128-L217 HydrophobicContact CD2-CD2 4.24Å; L128-L220 HydrophobicContact CB-CD1 4.07Å
129L92.3Very high78.8Confident1 Ų140.4 Ų40.41%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-101.3121.3179.2179.364.6000109.3W5 V94 L131 L144 A199 I200 L201W5-L129 HydrophobicContact CB-CD1 4.04Å; W5-L129 HydrophobicContact CB-CD2 4.26Å; W5-L129 HydrophobicContact CD2-CD1 3.73Å; W5-L129 HydrophobicContact CD2-CD2 4.06Å; W5-L129 HydrophobicContact CE3-CD1 4.08Å; W5-L129 HydrophobicContact CE3-CD2 3.6Å; W5-L129 HydrophobicContact CG-CD1 3.7Å; W5-L129 HydrophobicContact CG-CD2 4.37Å; W5-L129 HydrophobicContact CZ3-CD2 4.28Å; V94-L129 HydrophobicContact CB-CD1 3.67Å; V94-L129 HydrophobicContact CG1-CD1 3.66Å; V94-L129 WeakPolarHBondContact O-CA 3.25Å; L129-L131 HydrophobicContact CD1-CD2 4.1Å; L129-L131 HydrophobicContact CD2-CD2 3.8Å; L129-L131 HydrophobicContact CG-CD2 3.68Å; L129-L131 HydrophobicContact CG-CG 4.35Å; L129-L144 HydrophobicContact CD2-CD1 3.88Å; L129-A199 PolarHBondContact N-O 2.89Å; L129-I200 HydrophobicContact CB-CB 4.48Å; L129-I200 HydrophobicContact CB-CG1 4.13Å; L129-I200 HydrophobicContact CB-CG2 4.22Å; L129-I200 HydrophobicContact CD2-CD1 4.15Å; L129-I200 HydrophobicContact CD2-CG1 4.25Å; L129-I200 HydrophobicContact CD2-CG2 4.05Å; L129-I200 HydrophobicContact CG-CG2 4.19Å; L129-I200 VanDerWaalsContact O-CA 3.29Å; L129-I200 WeakPolarHBondContact O-CA 3.48Å; L129-L201 PolarHBondContact O-N 2.89Å
130I88.6Confident78.3Confident2 Ų240.4 Ų40.41%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-113.5111.7179.1-58.8171.9000108L57 V93 V94 L95 E96 L128 L201 I203 L206L57-I130 HydrophobicContact CD1-CD1 3.8Å; L57-I130 HydrophobicContact CD2-CD1 3.59Å; L57-I130 HydrophobicContact CD2-CG2 4.31Å; L57-I130 HydrophobicContact CG-CD1 4.14Å; V93-I130 HydrophobicContact CG1-CD1 4.17Å; V94-I130 PolarHBondContact O-N 2.87Å; L95-I130 HydrophobicContact CD2-CB 3.6Å; L95-I130 HydrophobicContact CD2-CD1 3.76Å; L95-I130 HydrophobicContact CD2-CG1 4.04Å; L95-I130 HydrophobicContact CD2-CG2 4.26Å; E96-I130 PolarHBondContact N-O 3.21Å; L128-I130 HydrophobicContact CD2-CD1 4.09Å; L128-I130 HydrophobicContact CG-CD1 4.22Å; L128-I130 HydrophobicContact CG-CG1 4.16Å; I130-L201 WeakPolarHBondContact CA-O 3.36Å; I130-I203 HydrophobicContact CG2-CB 4.05Å; I130-I203 HydrophobicContact CG2-CG1 4.28Å; I130-L206 HydrophobicContact CD1-CD1 3.89Å; I130-L206 HydrophobicContact CG1-CD1 4.41Å; I130-L206 HydrophobicContact CG2-CD1 3.95Å
131L86.5Confident78Confident1 Ų144 Ų441%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-88.4140.8-173.3-60.4-176.7000110.8W5 E96 L129 T133 L144 A145 T148 I200 L201 I203W5-L131 HydrophobicContact CB-CD2 3.55Å; E96-L131 WeakPolarHBondContact OE2-CA 3.39Å; L129-L131 HydrophobicContact CD1-CD2 4.1Å; L129-L131 HydrophobicContact CD2-CD2 3.8Å; L129-L131 HydrophobicContact CG-CD2 3.68Å; L129-L131 HydrophobicContact CG-CG 4.35Å; L131-T133 HydrophobicContact CB-CG2 4.46Å; L131-T133 PolarHBondContact O-N 3.27Å; L131-L144 HydrophobicContact CD1-CB 3.81Å; L131-A145 HydrophobicContact CD1-CB 4.33Å; L131-T148 HydrophobicContact CD1-CG2 3.97Å; L131-I200 HydrophobicContact CD1-CG2 3.64Å; L131-I200 HydrophobicContact CG-CG2 3.83Å; L131-L201 PolarHBondContact N-O 3.34Å; L131-I203 WeakPolarHBondContact O-CB 3.3Å; L131-I203 PolarHBondContact O-N 3.28Å
132N77.4Confident77.8Confident14 Ų1447 Ų478%0.07526%0.261CS..  trans-91.6102.4169.8-171.521.3000109.6S6 E96 S98 T134S6-N132 PolarHBondContact OG-O 3.41Å; E96-N132 HydrophobicContact CB-CB 4.37Å; E96-N132 HydrophobicContact CG-CB 4.49Å; E96-N132 PolarHBondContact OE2-N 3.09Å; S98-N132 WeakPolarHBondContact CA-ND2 3.49Å; S98-N132 WeakPolarHBondContact CB-ND2 3.49Å; N132-T134 PolarHBondContact ND2-OG1 2.86Å; N132-T134 PolarHBondContact OD1-N 3.44Å; N132-T134 PolarHBondContact OD1-OG1 3.43Å
133T73.4Confident78Confident12 Ų1246.8 Ų46.87%0.07426%0.26CS..  trans-91.3-0.1-178.746.90000113.9L131 F139 A145 L149 S202 D204L131-T133 HydrophobicContact CB-CG2 4.46Å; L131-T133 PolarHBondContact O-N 3.27Å; T133-F139 HydrophobicContact CG2-CE2 4.34Å; T133-A145 HydrophobicContact CG2-CB 4.08Å; T133-L149 HydrophobicContact CG2-CD1 4.14Å; T133-L149 HydrophobicContact CG2-CD2 4.16Å; T133-L149 HydrophobicContact CG2-CG 4.07Å; T133-S202 PolarHBondContact OG1-OG 3.19Å; T133-D204 PolarHBondContact OG1-OD2 3.5Å
134T64.9Low78.5Confident45 Ų4542.2 Ų42.228%0.27624%0.24SC..THydrogen-bonded Turntrans-72139.8179.5640000111.3N132 V136N132-T134 PolarHBondContact ND2-OG1 2.86Å; N132-T134 PolarHBondContact OD1-N 3.44Å; N132-T134 PolarHBondContact OD1-OG1 3.43Å; T134-V136 PolarHBondContact O-N 3.21Å
135E57.7Low78.9Confident166 Ų16641.1 Ų41.178%0.77623%0.229SC*.THydrogen-bonded Turntrans81.2-6.8170.3-51.9-176.2168.500118.4
136V59.4Low78.9Confident38 Ų3843.9 Ų43.923%0.2324%0.24CC..  trans-98.9104.4176.6-173.90000111.1F100 T134 N138 F139F100-V136 HydrophobicContact CD2-CG2 4.12Å; F100-V136 HydrophobicContact CE1-CG2 3.88Å; F100-V136 HydrophobicContact CE2-CG2 3.4Å; F100-V136 VanDerWaalsContact CE2-CG2 3.4Å; F100-V136 HydrophobicContact CZ-CG2 3.28Å; T134-V136 PolarHBondContact O-N 3.21Å; V136-N138 VanDerWaalsContact C-N 3.27Å; V136-N138 PolarHBondContact O-N 3.08Å; V136-F139 HydrophobicContact CB-CD1 4.44Å; V136-F139 HydrophobicContact CB-CE1 3.77Å; V136-F139 HydrophobicContact CB-CE2 3.96Å; V136-F139 HydrophobicContact CB-CZ 3.51Å; V136-F139 HydrophobicContact CG1-CD1 3.99Å; V136-F139 HydrophobicContact CG1-CE1 3.74Å; V136-F139 HydrophobicContact CG1-CE2 4.41Å; V136-F139 HydrophobicContact CG1-CG 4.42Å; V136-F139 HydrophobicContact CG1-CZ 3.99Å; V136-F139 HydrophobicContact CG2-CE1 4.06Å; V136-F139 HydrophobicContact CG2-CZ 3.93Å
137N57.9Low78.6Confident155 Ų15544.6 Ų44.683%0.82924%0.244SC*.SBendtrans-77.63.7-173.9-75.2-21.5000115.8
138N66.6Low78Confident156 Ų15644.7 Ų44.783%0.83424%0.244SC*.  trans-162.889.2176.9-85.4-41.9000112V136V136-N138 VanDerWaalsContact C-N 3.27Å; V136-N138 PolarHBondContact O-N 3.08Å
139F74.5Confident77.2Confident31 Ų3149 Ų4914%0.13627%0.266CS..  trans-74.4142.3169.1-71.9-65.6000111.2T133 V136 S141 S143 A145 H146 L149T133-F139 HydrophobicContact CG2-CE2 4.34Å; V136-F139 HydrophobicContact CB-CD1 4.44Å; V136-F139 HydrophobicContact CB-CE1 3.77Å; V136-F139 HydrophobicContact CB-CE2 3.96Å; V136-F139 HydrophobicContact CB-CZ 3.51Å; V136-F139 HydrophobicContact CG1-CD1 3.99Å; V136-F139 HydrophobicContact CG1-CE1 3.74Å; V136-F139 HydrophobicContact CG1-CE2 4.41Å; V136-F139 HydrophobicContact CG1-CG 4.42Å; V136-F139 HydrophobicContact CG1-CZ 3.99Å; V136-F139 HydrophobicContact CG2-CE1 4.06Å; V136-F139 HydrophobicContact CG2-CZ 3.93Å; F139-S141 PolarHBondContact O-N 3.4Å; F139-S143 WeakPolarHBondContact CB-OG 3.47Å; F139-A145 HydrophobicContact CD1-CB 3.57Å; F139-A145 HydrophobicContact CD2-CB 3.82Å; F139-A145 HydrophobicContact CE1-CB 3.51Å; F139-A145 HydrophobicContact CE2-CB 3.75Å; F139-A145 HydrophobicContact CG-CB 3.73Å; F139-A145 HydrophobicContact CZ-CB 3.58Å; F139-H146 HydrophobicContact CB-CB 4.23Å; F139-L149 HydrophobicContact CD2-CD1 3.77Å; F139-L149 HydrophobicContact CE2-CD1 3.86Å
140S77.4Confident76.4Confident65 Ų6551 Ų5146%0.45528%0.277SS..  trans-57.1139.8169.5174.20000109.6T142 S143 H146S140-T142 PolarHBondContact O-N 3.1Å; S140-T142 PolarHBondContact OG-N 2.81Å; S140-T142 PolarHBondContact OG-OG1 3.04Å; S140-S143 WeakPolarHBondContact O-CB 3.29Å; S140-S143 PolarHBondContact O-N 3.35Å; S140-S143 PolarHBondContact O-OG 2.74Å; S140-H146 VanDerWaalsContact O-CB 3.28Å; S140-H146 WeakPolarHBondContact O-CB 3.42Å
141S81.8Confident75.2Confident78 Ų7855 Ų5555%0.54531%0.305SS..THydrogen-bonded Turntrans-59.7-10176.256.70000114F139 H146F139-S141 PolarHBondContact O-N 3.4Å; S141-H146 PolarHBondContact O-CD2 3.31Å; S141-H146 VanDerWaalsContact O-CD2 3.27Å
142T82.6Confident73.6Confident61 Ų6159.7 Ų59.737%0.37433%0.33SS..THydrogen-bonded Turntrans-104.6-1.317759.10000114.2C9 L10 S140C9-T142 CarbonylContact C-O 3.59Å; C9-T142 WeakPolarHBondContact CA-O 3.45Å; L10-T142 WeakPolarHBondContact CB-O 3.48Å; L10-T142 PolarHBondContact N-O 3.36Å; S140-T142 PolarHBondContact O-N 3.1Å; S140-T142 PolarHBondContact OG-N 2.81Å; S140-T142 PolarHBondContact OG-OG1 3.04Å
143S85.4Confident72.3Confident1 Ų162.7 Ų62.71%0.00737%0.365CS..BIsolated β-bridgetrans-82.1154.1-176.368.60000112.7S6 L8 F139 S140 A145 H146 Y147S6-S143 WeakPolarHBondContact O-CB 3.37Å; L8-S143 WeakPolarHBondContact O-CA 3.28Å; F139-S143 WeakPolarHBondContact CB-OG 3.47Å; S140-S143 WeakPolarHBondContact O-CB 3.29Å; S140-S143 PolarHBondContact O-N 3.35Å; S140-S143 PolarHBondContact O-OG 2.74Å; S143-A145 VanDerWaalsContact C-N 3.32Å; S143-A145 PolarHBondContact O-N 3.12Å; S143-H146 WeakPolarHBondContact O-CB 3.44Å; S143-H146 PolarHBondContact O-N 3.38Å; S143-H146 WeakPolarHBondContact OG-CB 2.92Å; S143-H146 PolarHBondContact OG-N 2.89Å; S143-Y147 VanDerWaalsContact O-CD2 3.24Å; S143-Y147 WeakPolarHBondContact O-CD2 3.46Å
144L87.4Confident71.3Confident0 Ų064.6 Ų64.60%038%0.378CS..Hα-helixtrans-58.5-42.7176.8-63-178.9000112.2W5 L8 L10 F13 L129 L131 H146 Y147 T148 W167 L174 I200W5-L144 HydrophobicContact CE3-CD1 4.45Å; L8-L144 HydrophobicContact CB-CD1 4.1Å; L8-L144 HydrophobicContact CB-CG 4.34Å; L8-L144 HydrophobicContact CD2-CD1 4.11Å; L8-L144 HydrophobicContact CG-CD1 4.44Å; L8-L144 WeakPolarHBondContact O-CG 3.14Å; L8-L144 PolarHBondContact O-N 3.07Å; L10-L144 HydrophobicContact CD1-CD2 3.53Å; F13-L144 HydrophobicContact CD1-CD1 4.17Å; F13-L144 HydrophobicContact CD1-CD2 4.39Å; F13-L144 HydrophobicContact CE1-CD1 4.47Å; L129-L144 HydrophobicContact CD2-CD1 3.88Å; L131-L144 HydrophobicContact CD1-CB 3.81Å; L144-H146 VanDerWaalsContact C-N 3.32Å; L144-H146 PolarHBondContact O-N 3.1Å; L144-Y147 PolarHBondContact O-N 3.34Å; L144-T148 PolarHBondContact O-N 2.9Å; L144-W167 HydrophobicContact CD2-CH2 4.49Å; L144-L174 HydrophobicContact CD2-CD2 3.8Å; L144-I200 HydrophobicContact CD1-CD1 4.1Å; L144-I200 HydrophobicContact CD2-CD1 3.89Å; L144-I200 HydrophobicContact CG-CD1 4.48Å
145A83.8Confident70.5Confident0 Ų067.3 Ų67.30%041%0.406CS..Hα-helixtrans-61.7-37.8179.900000113S6 L131 T133 F139 S143 Y147 T148 L149S6-A145 VanDerWaalsContact O-CB 3.29Å; S6-A145 WeakPolarHBondContact O-CB 3.32Å; S6-A145 PolarHBondContact O-N 2.9Å; L131-A145 HydrophobicContact CD1-CB 4.33Å; T133-A145 HydrophobicContact CG2-CB 4.08Å; F139-A145 HydrophobicContact CD1-CB 3.57Å; F139-A145 HydrophobicContact CD2-CB 3.82Å; F139-A145 HydrophobicContact CE1-CB 3.51Å; F139-A145 HydrophobicContact CE2-CB 3.75Å; F139-A145 HydrophobicContact CG-CB 3.73Å; F139-A145 HydrophobicContact CZ-CB 3.58Å; S143-A145 VanDerWaalsContact C-N 3.32Å; S143-A145 PolarHBondContact O-N 3.12Å; A145-Y147 VanDerWaalsContact C-N 3.3Å; A145-Y147 PolarHBondContact O-N 3.27Å; A145-T148 WeakPolarHBondContact CA-OG1 2.93Å; A145-T148 PolarHBondContact O-N 3.36Å; A145-T148 PolarHBondContact O-OG1 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.15Å; A145-L149 PolarHBondContact O-N 2.89Å
146H84.2Confident70.2Confident63 Ų6362.1 Ų62.129%0.29240%0.396SS..Hα-helixtrans-57.2-45.2176.317873.6000111.6F139 S140 S141 S143 L144 L149 L150F139-H146 HydrophobicContact CB-CB 4.23Å; S140-H146 VanDerWaalsContact O-CB 3.28Å; S140-H146 WeakPolarHBondContact O-CB 3.42Å; S141-H146 PolarHBondContact O-CD2 3.31Å; S141-H146 VanDerWaalsContact O-CD2 3.27Å; S143-H146 WeakPolarHBondContact O-CB 3.44Å; S143-H146 PolarHBondContact O-N 3.38Å; S143-H146 WeakPolarHBondContact OG-CB 2.92Å; S143-H146 PolarHBondContact OG-N 2.89Å; L144-H146 VanDerWaalsContact C-N 3.32Å; L144-H146 PolarHBondContact O-N 3.1Å; H146-L149 PolarHBondContact O-N 3.34Å; H146-L150 PolarHBondContact O-N 2.84Å
147Y82.4Confident70Confident47 Ų4762 Ų6218%0.18439%0.394CS..Hα-helixtrans-69.1-35.1179.5-73.1-76.4000112.9L10 S143 L144 A145 L149 L150 L157 Y169 L174L10-Y147 HydrophobicContact CB-CE2 4.34Å; L10-Y147 HydrophobicContact CD2-CD2 4.31Å; L10-Y147 HydrophobicContact CD2-CE2 3.83Å; S143-Y147 VanDerWaalsContact O-CD2 3.24Å; S143-Y147 WeakPolarHBondContact O-CD2 3.46Å; L144-Y147 PolarHBondContact O-N 3.34Å; A145-Y147 VanDerWaalsContact C-N 3.3Å; A145-Y147 PolarHBondContact O-N 3.27Å; Y147-L149 PolarHBondContact O-N 3.44Å; Y147-L150 HydrophobicContact CD1-CD1 3.73Å; Y147-L150 HydrophobicContact CE1-CD1 4.36Å; Y147-L150 PolarHBondContact O-N 3.35Å; Y147-L157 HydrophobicContact CD1-CD1 4.24Å; Y147-L157 HydrophobicContact CD1-CD2 3.81Å; Y147-L157 HydrophobicContact CD1-CG 4.04Å; Y147-L157 HydrophobicContact CE1-CD1 4.48Å; Y147-L157 HydrophobicContact CE1-CD2 3.29Å; Y147-L157 HydrophobicContact CE1-CG 3.82Å; Y147-L157 HydrophobicContact CE2-CD2 4.41Å; Y147-Y169 WeakPolarHBondContact O-CE2 3.18Å; Y147-L174 HydrophobicContact CG-CD2 4.49Å
148T80.1Confident69.8Low2 Ų263.9 Ų63.91%0.01240%0.395CS..Hα-helixtrans-69.9-17.6175.955.80000113.9L131 L144 A145 I200L131-T148 HydrophobicContact CD1-CG2 3.97Å; L144-T148 PolarHBondContact O-N 2.9Å; A145-T148 WeakPolarHBondContact CA-OG1 2.93Å; A145-T148 PolarHBondContact O-N 3.36Å; A145-T148 PolarHBondContact O-OG1 3.3Å; T148-I200 HydrophobicContact CG2-CB 4.33Å; T148-I200 HydrophobicContact CG2-CG2 3.69Å
149L77.2Confident69.1Low91 Ų9161.9 Ų61.948%0.47638%0.381SS..THydrogen-bonded Turntrans-96.1-3.7179.4-70.5171.7000113.6T133 F139 A145 H146 Y147T133-L149 HydrophobicContact CG2-CD1 4.14Å; T133-L149 HydrophobicContact CG2-CD2 4.16Å; T133-L149 HydrophobicContact CG2-CG 4.07Å; F139-L149 HydrophobicContact CD2-CD1 3.77Å; F139-L149 HydrophobicContact CE2-CD1 3.86Å; A145-L149 WeakPolarHBondContact O-CG 3.15Å; A145-L149 PolarHBondContact O-N 2.89Å; H146-L149 PolarHBondContact O-N 3.34Å; Y147-L149 PolarHBondContact O-N 3.44Å
150L75.6Confident68Low44 Ų4464.7 Ų64.723%0.2340%0.397CS..  trans-64.8151.2174.8-67.5173.2000110.3H146 Y147 Y169H146-L150 PolarHBondContact O-N 2.84Å; Y147-L150 HydrophobicContact CD1-CD1 3.73Å; Y147-L150 HydrophobicContact CE1-CD1 4.36Å; Y147-L150 PolarHBondContact O-N 3.35Å; L150-Y169 HydrophobicContact CB-CE1 4.25Å; L150-Y169 HydrophobicContact CB-CE2 4.28Å; L150-Y169 PolarHBondContact O-OH 3.23Å
151S62.1Low66.8Low85 Ų8568.4 Ų68.459%0.59441%0.412SS*.  trans-94147.7171.657.60000111.1G153 S154S151-G153 PolarHBondContact O-N 3.27Å; S151-S154 PolarHBondContact O-N 2.76Å; S151-S154 PolarHBondContact O-OG 3.48Å
152N54.3Low65.5Low99 Ų9972.5 Ų72.553%0.52943%0.428SS..THydrogen-bonded Turntrans-51.9106.8171.2-95.5-3.7000110.1D171N152-D171 PolarHBondContact ND2-OD1 3.33Å; N152-D171 VanDerWaalsContact OD1-CA 3.25Å; N152-D171 WeakPolarHBondContact OD1-CA 3.3Å; N152-D171 PolarHBondContact OD1-N 3.21Å
153G50.2Low64.5Low78 Ų7870.6 Ų70.680%0.80442%0.417SS*.THydrogen-bonded Turntrans140-12.7-17100000114.4S151 A155S151-G153 PolarHBondContact O-N 3.27Å; G153-A155 PolarHBondContact O-N 3.39Å
154S51.7Low63.8Low51 Ų5175.7 Ų75.736%0.35744%0.437SS..  trans-87.790.3178.1-430000110.5S151S151-S154 PolarHBondContact O-N 2.76Å; S151-S154 PolarHBondContact O-OG 3.48Å
155A47.5Very low63.4Low103 Ų10375.9 Ų75.985%0.85144%0.438SS*.  trans-65.1133.5-175.900000114G153G153-A155 PolarHBondContact O-N 3.39Å
156G52Low63.1Low56 Ų5679.6 Ų79.658%0.57745%0.454SS*.  trans9083.6152.800000116.7F158G156-F158 WeakPolarHBondContact O-CD2 3.45Å; G156-F158 PolarHBondContact O-N 3.42Å
157L55.5Low63Low35 Ų3577.9 Ų77.918%0.18345%0.445CS..  trans-66.7115.6157.7-104.2164.6000108.6L10 Y147 E159 W167 Y169 L174L10-L157 HydrophobicContact CD2-CD2 3.61Å; Y147-L157 HydrophobicContact CD1-CD1 4.24Å; Y147-L157 HydrophobicContact CD1-CD2 3.81Å; Y147-L157 HydrophobicContact CD1-CG 4.04Å; Y147-L157 HydrophobicContact CE1-CD1 4.48Å; Y147-L157 HydrophobicContact CE1-CD2 3.29Å; Y147-L157 HydrophobicContact CE1-CG 3.82Å; Y147-L157 HydrophobicContact CE2-CD2 4.41Å; L157-E159 PolarHBondContact O-N 3.15Å; L157-W167 HydrophobicContact CD1-CB 4.17Å; L157-W167 HydrophobicContact CD2-CB 4.5Å; L157-Y169 VanDerWaalsContact CD1-CB 3.4Å; L157-L174 HydrophobicContact CD1-CD1 3.39Å
158F52.8Low62.8Low196 Ų19680.4 Ų80.486%0.8646%0.459SS*.  trans-67119.7-179.4-81.2-94.2000110.3G156 N160G156-F158 WeakPolarHBondContact O-CD2 3.45Å; G156-F158 PolarHBondContact O-N 3.42Å; F158-N160 PolarHBondContact O-N 3.4Å
159E52.2Low62.8Low114 Ų11482.3 Ų82.353%0.53347%0.467SS..  trans-57.2124.4167.6-65.9-172.7139.500108.8L157 N161 K166L157-E159 PolarHBondContact O-N 3.15Å; E159-N161 PolarHBondContact O-N 2.82Å; E159-N161 VanDerWaalsContact O-N 3.14Å; E159-K166 WeakPolarHBondContact OE1-CE 3.26Å; E159-K166 IonicContact OE1-NZ 2.81Å; E159-K166 PolarHBondContact OE1-NZ 3.15Å
160N52.5Low62.6Low89 Ų8983.4 Ų83.448%0.47647%0.467SS..  trans-75.3104.8166.7-147.712.8000105.6F158 D162 S163F158-N160 PolarHBondContact O-N 3.4Å; N160-D162 PolarHBondContact O-N 2.78Å; N160-S163 PolarHBondContact O-N 2.92Å; N160-S163 PolarHBondContact O-OG 2.8Å
161N51.9Low62.4Low144 Ų14484.1 Ų84.177%0.7747%0.471SS*.THydrogen-bonded Turntrans-56.5-14.5-170.5-76.4-16.1000114.8E159E159-N161 PolarHBondContact O-N 2.82Å; E159-N161 VanDerWaalsContact O-N 3.14Å
162D54.2Low63.2Low163 Ų16381 Ų8187%0.87245%0.45SS*.THydrogen-bonded Turntrans-113.322.3-175.6-67.3-33.8000114.3N160N160-D162 PolarHBondContact O-N 2.78Å
163S61.6Low64.7Low21 Ų2176.4 Ų76.415%0.14743%0.425CS..  trans-132.4137.6176.157.10000115.2N18 N160 W165N18-S163 WeakPolarHBondContact ND2-CB 3.41Å; N160-S163 PolarHBondContact O-N 2.92Å; N160-S163 PolarHBondContact O-OG 2.8Å; S163-W165 PolarHBondContact O-N 3.3Å; S163-W165 PolarHBondContact OG-O 3.2Å; S163-W165 VanDerWaalsContact OG-O 3.12Å
164Y71.4Confident66.5Low109 Ų10972.7 Ų72.743%0.42739%0.387SS..SBendtrans-64.2-21171.1-60.1-77.9000113N18 Y178 H179N18-Y164 PolarHBondContact OD1-N 2.61Å; Y164-Y178 HydrophobicContact CD2-CE2 4.41Å; Y164-Y178 HydrophobicContact CG-CE2 4.02Å; Y164-Y178 AromaticContact CG-CZ 3.92Å; Y164-H179 PolarHBondContact O-N 3.2Å
165W79.1Confident68.2Low4 Ų470.3 Ų70.32%0.01537%0.37CS..EExtended strand (participates in β ladder)trans-82.7127.7173.7-170.9-91.2000111.9L17 N18 F21 I121 S163 W167 G176 G177 Y178 L197 I198L17-W165 HydrophobicContact CB-CD2 4.28Å; L17-W165 HydrophobicContact CB-CE3 4.13Å; L17-W165 HydrophobicContact CD1-CD2 3.66Å; L17-W165 VanDerWaalsContact CD1-CE2 3.45Å; L17-W165 HydrophobicContact CD1-CE3 3.87Å; L17-W165 HydrophobicContact CD1-CG 4.34Å; L17-W165 HydrophobicContact CD1-CH2 3.69Å; L17-W165 HydrophobicContact CD1-CZ2 3.47Å; L17-W165 VanDerWaalsContact CD1-CZ2 3.47Å; L17-W165 HydrophobicContact CD1-CZ3 3.88Å; L17-W165 HydrophobicContact CD2-CH2 4.49Å; L17-W165 HydrophobicContact CD2-CZ3 4.31Å; L17-W165 HydrophobicContact CG-CE3 4.45Å; L17-W165 HydrophobicContact CG-CZ3 4.5Å; N18-W165 PolarHBondContact OD1-N 2.93Å; F21-W165 AromaticContact CE2-CE3 3.96Å; F21-W165 HydrophobicContact CE2-CE3 3.96Å; F21-W165 AromaticContact CE2-CZ3 3.77Å; F21-W165 HydrophobicContact CE2-CZ3 3.77Å; F21-W165 HydrophobicContact CZ-CZ3 4.28Å; I121-W165 HydrophobicContact CG2-CH2 3.92Å; I121-W165 HydrophobicContact CG2-CZ3 3.9Å; S163-W165 PolarHBondContact O-N 3.3Å; S163-W165 PolarHBondContact OG-O 3.2Å; S163-W165 VanDerWaalsContact OG-O 3.12Å; W165-W167 AromaticContact CD1-CD1 3.83Å; W165-W167 AromaticContact CD1-CE2 3.74Å; W165-W167 AromaticContact CD1-NE1 3.35Å; W165-W167 HydrophobicContact CZ2-CH2 4.46Å; W165-W167 HydrophobicContact CZ2-CZ2 4.49Å; W165-W167 AromaticContact NE1-CD1 3.92Å; W165-W167 AromaticContact NE1-CD2 3.69Å; W165-W167 AromaticContact NE1-CE2 3.14Å; W165-W167 AromaticContact NE1-CZ2 3.33Å; W165-W167 VanDerWaalsContact NE1-CZ2 3.33Å; W165-W167 AromaticContact NE1-NE1 3.29Å; W165-G176 VanDerWaalsContact CZ2-C 3.43Å; W165-G177 WeakPolarHBondContact CA-O 3.27Å; W165-Y178 HydrophobicContact CE3-CD2 4.49Å; W165-L197 HydrophobicContact CH2-CB 4.04Å; W165-L197 HydrophobicContact CH2-CD1 4.45Å; W165-L197 HydrophobicContact CZ3-CB 4.44Å; W165-L197 HydrophobicContact CZ3-CD1 4.02Å; W165-I198 HydrophobicContact CH2-CG2 4.15Å; W165-I198 HydrophobicContact CZ2-CG2 3.63Å
166K76.8Confident70.1Confident78 Ų7865.5 Ų65.534%0.33933%0.331SS..EExtended strand (participates in β ladder)trans-118.2144.3175.9-64.8-164.7-178.3-164.70111.4E159 G176 G177E159-K166 WeakPolarHBondContact OE1-CE 3.26Å; E159-K166 IonicContact OE1-NZ 2.81Å; E159-K166 PolarHBondContact OE1-NZ 3.15Å; K166-G176 CarbonylContact O-C 3.52Å; K166-G176 VanDerWaalsContact O-CA 3.22Å; K166-G176 WeakPolarHBondContact O-CA 3.32Å; K166-G177 PolarHBondContact N-O 2.95Å; K166-G177 PolarHBondContact O-N 3.44Å
167W81.6Confident71.5Confident27 Ų2763.2 Ų63.210%0.10231%0.308CS..EExtended strand (participates in β ladder)trans-108143.9171.7-67.297.9000110.1L10 F13 S14 L144 L157 W165 L174 T175 I198 I200L10-W167 HydrophobicContact CD1-CD2 3.41Å; L10-W167 VanDerWaalsContact CD1-CD2 3.41Å; L10-W167 HydrophobicContact CD1-CE3 3.9Å; L10-W167 HydrophobicContact CD1-CG 3.76Å; L10-W167 HydrophobicContact CD1-CH2 4.24Å; L10-W167 HydrophobicContact CD1-CZ2 3.78Å; L10-W167 HydrophobicContact CD1-CZ3 4.28Å; L10-W167 HydrophobicContact CD2-CB 4.44Å; L10-W167 HydrophobicContact CD2-CG 4.06Å; L10-W167 HydrophobicContact CG-CD2 4.17Å; L10-W167 HydrophobicContact CG-CG 4.05Å; F13-W167 HydrophobicContact CB-CZ2 4.5Å; F13-W167 AromaticContact CD1-CH2 3.59Å; F13-W167 HydrophobicContact CD1-CH2 3.59Å; F13-W167 AromaticContact CD1-CZ2 3.61Å; F13-W167 HydrophobicContact CD1-CZ2 3.61Å; F13-W167 AromaticContact CE1-CH2 3.71Å; F13-W167 HydrophobicContact CE1-CH2 3.71Å; F13-W167 HydrophobicContact CE1-CZ2 4.14Å; F13-W167 HydrophobicContact CG-CZ2 4.23Å; S14-W167 PolarHBondContact OG-NE1 3.22Å; L144-W167 HydrophobicContact CD2-CH2 4.49Å; L157-W167 HydrophobicContact CD1-CB 4.17Å; L157-W167 HydrophobicContact CD2-CB 4.5Å; W165-W167 AromaticContact CD1-CD1 3.83Å; W165-W167 AromaticContact CD1-CE2 3.74Å; W165-W167 AromaticContact CD1-NE1 3.35Å; W165-W167 HydrophobicContact CZ2-CH2 4.46Å; W165-W167 HydrophobicContact CZ2-CZ2 4.49Å; W165-W167 AromaticContact NE1-CD1 3.92Å; W165-W167 AromaticContact NE1-CD2 3.69Å; W165-W167 AromaticContact NE1-CE2 3.14Å; W165-W167 AromaticContact NE1-CZ2 3.33Å; W165-W167 VanDerWaalsContact NE1-CZ2 3.33Å; W165-W167 AromaticContact NE1-NE1 3.29Å; W167-L174 HydrophobicContact CB-CD1 4.26Å; W167-L174 HydrophobicContact CD2-CD1 4.35Å; W167-L174 HydrophobicContact CE3-CD1 3.72Å; W167-L174 HydrophobicContact CE3-CD2 4.11Å; W167-L174 HydrophobicContact CE3-CG 3.73Å; W167-L174 HydrophobicContact CZ3-CD1 4.49Å; W167-L174 HydrophobicContact CZ3-CD2 4.17Å; W167-L174 HydrophobicContact CZ3-CG 4.01Å; W167-T175 CarbonylContact C-O 3.54Å; W167-T175 WeakPolarHBondContact CA-O 3.27Å; W167-I198 HydrophobicContact CH2-CG2 3.91Å; W167-I198 HydrophobicContact CZ3-CG2 3.73Å; W167-I200 HydrophobicContact CH2-CD1 3.84Å; W167-I200 HydrophobicContact CZ3-CD1 3.57Å; W167-I200 HydrophobicContact CZ3-CG1 4.44Å
168M79.4Confident72.4Confident99 Ų9962.9 Ų62.949%0.48830%0.304SS..EExtended strand (participates in β ladder)trans-134.6133.9175.8-74.3173.632.400108.5T175M168-T175 PolarHBondContact N-O 3.43Å; M168-T175 PolarHBondContact O-N 2.86Å; M168-T175 PolarHBondContact O-OG1 2.86Å; M168-T175 VanDerWaalsContact O-OG1 3.11Å
169Y79.6Confident73.1Confident43 Ų4355.3 Ų55.317%0.16927%0.271CS..EExtended strand (participates in β ladder)trans-110.8125.8172.8173.8-94.4000108.4Y147 L150 L157 S172 I173Y147-Y169 WeakPolarHBondContact O-CE2 3.18Å; L150-Y169 HydrophobicContact CB-CE1 4.25Å; L150-Y169 HydrophobicContact CB-CE2 4.28Å; L150-Y169 PolarHBondContact O-OH 3.23Å; L157-Y169 VanDerWaalsContact CD1-CB 3.4Å; Y169-S172 WeakPolarHBondContact OH-CA 3.31Å; Y169-I173 WeakPolarHBondContact CA-O 3.48Å
170K72.9Confident73.3Confident113 Ų11354.8 Ų54.849%0.49127%0.269SS..EExtended strand (participates in β ladder)trans-150.6127-178.2-176.7-176.9177.5-159.90108.5S172 I173K170-S172 PolarHBondContact O-N 3.28Å; K170-I173 PolarHBondContact N-O 3.02Å; K170-I173 WeakPolarHBondContact O-CA 3.3Å; K170-I173 VanDerWaalsContact O-CB 3.28Å; K170-I173 WeakPolarHBondContact O-CB 3.34Å; K170-I173 WeakPolarHBondContact O-CG1 3.21Å; K170-I173 PolarHBondContact O-N 3.41Å
171D71.4Confident73.3Confident59 Ų5956.7 Ų56.732%0.31628%0.278SS..THydrogen-bonded Turntrans55.148.8171.7-56.8-41.1000113.7N152 I173 H212N152-D171 PolarHBondContact ND2-OD1 3.33Å; N152-D171 VanDerWaalsContact OD1-CA 3.25Å; N152-D171 WeakPolarHBondContact OD1-CA 3.3Å; N152-D171 PolarHBondContact OD1-N 3.21Å; D171-I173 WeakPolarHBondContact O-CG1 3.4Å; D171-I173 PolarHBondContact O-N 3.01Å; D171-I173 VanDerWaalsContact O-N 3.11Å; D171-H212 PolarHBondContact O-CD2 3.05Å; D171-H212 PolarHBondContact O-NE2 3.18Å
172S78.4Confident72.9Confident21 Ų2157.9 Ų57.915%0.14728%0.279CS..THydrogen-bonded Turntrans63.98.8-174.9-38.80000115.4Y169 K170 H212Y169-S172 WeakPolarHBondContact OH-CA 3.31Å; K170-S172 PolarHBondContact O-N 3.28Å; S172-H212 PolarHBondContact OG-NE2 3.3Å
173I85.2Confident71.9Confident1 Ų155.3 Ų55.31%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-108.5117.8179.5-37-167.9000109Y169 K170 D171 T175 A199 L201 H212 D215 A216 L219Y169-I173 WeakPolarHBondContact CA-O 3.48Å; K170-I173 PolarHBondContact N-O 3.02Å; K170-I173 WeakPolarHBondContact O-CA 3.3Å; K170-I173 VanDerWaalsContact O-CB 3.28Å; K170-I173 WeakPolarHBondContact O-CB 3.34Å; K170-I173 WeakPolarHBondContact O-CG1 3.21Å; K170-I173 PolarHBondContact O-N 3.41Å; D171-I173 WeakPolarHBondContact O-CG1 3.4Å; D171-I173 PolarHBondContact O-N 3.01Å; D171-I173 VanDerWaalsContact O-N 3.11Å; I173-T175 HydrophobicContact CB-CG2 4.38Å; I173-T175 HydrophobicContact CG2-CG2 3.67Å; I173-A199 HydrophobicContact CG2-CB 4.04Å; I173-L201 HydrophobicContact CB-CD2 4.05Å; I173-L201 HydrophobicContact CD1-CD2 4.03Å; I173-L201 HydrophobicContact CG1-CD2 3.6Å; I173-L201 HydrophobicContact CG2-CD2 3.9Å; I173-L201 HydrophobicContact CG2-CG 4.38Å; I173-H212 WeakPolarHBondContact CD1-O 3.31Å; I173-D215 HydrophobicContact CD1-CB 3.49Å; I173-D215 VanDerWaalsContact CD1-CB 3.49Å; I173-A216 HydrophobicContact CD1-CB 4Å; I173-A216 VanDerWaalsContact CD1-N 3.35Å; I173-A216 HydrophobicContact CG2-CB 4.14Å; I173-L219 HydrophobicContact CB-CD1 4.33Å; I173-L219 HydrophobicContact CD1-CD1 4Å; I173-L219 HydrophobicContact CG2-CD1 4.25Å
174L88.4Confident70.8Confident0 Ų061.5 Ų61.50%031%0.305CS..EExtended strand (participates in β ladder)trans-85.2118167.1172.468.6000108L10 L144 Y147 L157 W167 A199 I200L10-L174 HydrophobicContact CD1-CD1 4.48Å; L10-L174 HydrophobicContact CD1-CD2 3.8Å; L144-L174 HydrophobicContact CD2-CD2 3.8Å; Y147-L174 HydrophobicContact CG-CD2 4.49Å; L157-L174 HydrophobicContact CD1-CD1 3.39Å; W167-L174 HydrophobicContact CB-CD1 4.26Å; W167-L174 HydrophobicContact CD2-CD1 4.35Å; W167-L174 HydrophobicContact CE3-CD1 3.72Å; W167-L174 HydrophobicContact CE3-CD2 4.11Å; W167-L174 HydrophobicContact CE3-CG 3.73Å; W167-L174 HydrophobicContact CZ3-CD1 4.49Å; W167-L174 HydrophobicContact CZ3-CD2 4.17Å; W167-L174 HydrophobicContact CZ3-CG 4.01Å; L174-A199 CarbonylContact O-C 3.6Å; L174-I200 HydrophobicContact CB-CB 4.12Å; L174-I200 HydrophobicContact CD2-CD1 3.82Å; L174-I200 HydrophobicContact CG-CD1 4.18Å; L174-I200 PolarHBondContact N-O 2.92Å; L174-I200 WeakPolarHBondContact O-CB 3.18Å; L174-I200 PolarHBondContact O-N 3.48Å
175T88.1Confident69Low1 Ų163.9 Ų63.91%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-120.1151.2-179.559.20000111.3W167 M168 I173 I198 A199 L219W167-T175 CarbonylContact C-O 3.54Å; W167-T175 WeakPolarHBondContact CA-O 3.27Å; M168-T175 PolarHBondContact N-O 3.43Å; M168-T175 PolarHBondContact O-N 2.86Å; M168-T175 PolarHBondContact O-OG1 2.86Å; M168-T175 VanDerWaalsContact O-OG1 3.11Å; I173-T175 HydrophobicContact CB-CG2 4.38Å; I173-T175 HydrophobicContact CG2-CG2 3.67Å; T175-I198 CarbonylContact C-O 3.4Å; T175-I198 WeakPolarHBondContact CA-O 3.21Å; T175-I198 WeakPolarHBondContact CB-O 3.49Å; T175-A199 HydrophobicContact CG2-CB 4.04Å; T175-L219 HydrophobicContact CG2-CB 4.3Å; T175-L219 HydrophobicContact CG2-CD1 3.72Å
176G86.2Confident67Low3 Ų368.6 Ų68.63%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-142.4147.3179.700000112.5W165 K166 L197 I198W165-G176 VanDerWaalsContact CZ2-C 3.43Å; K166-G176 CarbonylContact O-C 3.52Å; K166-G176 VanDerWaalsContact O-CA 3.22Å; K166-G176 WeakPolarHBondContact O-CA 3.32Å; G176-L197 PolarHBondContact O-N 2.95Å; G176-I198 PolarHBondContact N-O 3.28Å; G176-I198 PolarHBondContact O-N 3.28Å; G176-I198 VanDerWaalsContact O-N 3.1Å
177G82.8Confident64.8Low8 Ų872.5 Ų72.58%0.08238%0.383CS..EExtended strand (participates in β ladder)trans-150.3160.8-178.600000112.4W165 K166W165-G177 WeakPolarHBondContact CA-O 3.27Å; K166-G177 PolarHBondContact N-O 2.95Å; K166-G177 PolarHBondContact O-N 3.44Å
178Y74.3Confident62.4Low28 Ų2878.7 Ų78.711%0.1142%0.418CS..EExtended strand (participates in β ladder)trans-99.2126.5175.8-172-93.7000109.2F21 Y164 W165F21-Y178 HydrophobicContact CB-CD2 3.88Å; F21-Y178 HydrophobicContact CB-CE2 3.33Å; F21-Y178 HydrophobicContact CD1-CD1 4.09Å; F21-Y178 AromaticContact CD1-CD2 3.85Å; F21-Y178 HydrophobicContact CD1-CD2 3.85Å; F21-Y178 HydrophobicContact CD1-CE1 4.27Å; F21-Y178 HydrophobicContact CD1-CE2 4.02Å; F21-Y178 AromaticContact CD1-CG 3.88Å; F21-Y178 HydrophobicContact CD1-CG 3.88Å; F21-Y178 AromaticContact CD2-CD2 3.43Å; F21-Y178 HydrophobicContact CD2-CD2 3.43Å; F21-Y178 VanDerWaalsContact CD2-CD2 3.43Å; F21-Y178 AromaticContact CD2-CE2 3.83Å; F21-Y178 HydrophobicContact CD2-CE2 3.83Å; F21-Y178 HydrophobicContact CD2-CG 4.08Å; F21-Y178 HydrophobicContact CE1-CD1 4.28Å; F21-Y178 HydrophobicContact CE1-CD2 4.23Å; F21-Y178 AromaticContact CE1-CG 3.93Å; F21-Y178 HydrophobicContact CE1-CG 3.93Å; F21-Y178 AromaticContact CE2-CD2 3.87Å; F21-Y178 HydrophobicContact CE2-CD2 3.87Å; F21-Y178 HydrophobicContact CE2-CG 4.15Å; F21-Y178 HydrophobicContact CG-CD1 4.47Å; F21-Y178 AromaticContact CG-CD2 3.44Å; F21-Y178 HydrophobicContact CG-CD2 3.44Å; F21-Y178 VanDerWaalsContact CG-CD2 3.44Å; F21-Y178 AromaticContact CG-CE2 3.46Å; F21-Y178 HydrophobicContact CG-CE2 3.46Å; F21-Y178 VanDerWaalsContact CG-CE2 3.46Å; F21-Y178 AromaticContact CG-CG 3.96Å; F21-Y178 HydrophobicContact CG-CG 3.96Å; F21-Y178 HydrophobicContact CZ-CD2 4.25Å; F21-Y178 HydrophobicContact CZ-CG 4.08Å; Y164-Y178 HydrophobicContact CD2-CE2 4.41Å; Y164-Y178 HydrophobicContact CG-CE2 4.02Å; Y164-Y178 AromaticContact CG-CZ 3.92Å; W165-Y178 HydrophobicContact CE3-CD2 4.49Å
179H66.5Low60Low37 Ų3782.7 Ų82.717%0.17143%0.434CS..  trans-104.7119.2175.9-77.2-72000110.5Y164Y164-H179 PolarHBondContact O-N 3.2Å
180H57.4Low57.5Low103 Ų10389.6 Ų89.648%0.47747%0.467SS..  trans-84.6121.4168.8-166.9-71.7000110.1E182H180-E182 PolarHBondContact ND1-N 3.42Å
181L51.2Low55.6Low129 Ų12989.4 Ų89.468%0.67548%0.476SS*.  trans-89.7104.3167.4-78.2155.4000107.7S183L181-S183 PolarHBondContact O-N 3.4Å
182E44.1Very low54.2Low169 Ų16995.5 Ų95.579%0.7950%0.499SS*.  trans-73.9115.9164.4-75.8-178.516500108.3H180H180-E182 PolarHBondContact ND1-N 3.42Å
183S33.9Very low52.6Low108 Ų108103.2 Ų103.276%0.75553%0.53SS*.  trans-87.5102.3170.260.30000108.6L181L181-S183 PolarHBondContact O-N 3.4Å
184D37.7Very low51.3Low152 Ų152106.7 Ų106.781%0.81355%0.549SS*.  trans-146.3134.7156.2-100.4-30.8000111.9S186D184-S186 PolarHBondContact O-N 2.94Å; D184-S186 VanDerWaalsContact O-N 3.15Å
185N33.8Very low50.4Low158 Ų158111.7 Ų111.785%0.84557%0.572SS**SBendtrans-49.1107.2-172.8-61.2-63.3000113.8
186S36.8Very low50.2Low103 Ų103112.7 Ų112.772%0.7258%0.578SS**SBendtrans173148144.345.30000109.8D184 D188D184-S186 PolarHBondContact O-N 2.94Å; D184-S186 VanDerWaalsContact O-N 3.15Å; S186-D188 VanDerWaalsContact C-N 3.29Å; S186-D188 PolarHBondContact O-N 2.72Å
187N31.2Very low50.3Low160 Ų160112.9 Ų112.986%0.85658%0.579SS**SBendtrans-71.660.2-166.2-72-36.8000115.3
188D30.6Very low50.7Low157 Ų157112.5 Ų112.584%0.8458%0.575SS**  trans-147.991165.3-83.8-41.4000110.4S186 E190S186-D188 VanDerWaalsContact C-N 3.29Å; S186-D188 PolarHBondContact O-N 2.72Å; D188-E190 PolarHBondContact O-N 2.8Å
189F30.2Very low51.6Low184 Ų184111.1 Ų111.181%0.80757%0.569SS**  trans-81.785.5174-79.4-85.4000110.5
190E27.4Very low52.8Low187 Ų187109.4 Ų109.487%0.87456%0.561SS**  trans-92.9107.5163.3-101.3-170.5164.800110.6D188 K192D188-E190 PolarHBondContact O-N 2.8Å; E190-K192 PolarHBondContact O-N 3.36Å; E190-K192 VanDerWaalsContact O-N 3.1Å
191V33.1Very low54.3Low110 Ų110104.5 Ų104.567%0.66754%0.539SS*.  trans-64.6106.2171.4178.90000108.6K193V191-K193 PolarHBondContact O-N 2.8Å
192K39.9Very low55.9Low187 Ų18798.3 Ų98.381%0.81351%0.506SS*.  trans-63.5105.1158.9-80.4-177.2179170.30107E190 D194E190-K192 PolarHBondContact O-N 3.36Å; E190-K192 VanDerWaalsContact O-N 3.1Å; K192-D194 VanDerWaalsContact C-N 3.35Å; K192-D194 PolarHBondContact O-N 3.24Å
193K46.1Very low57.5Low183 Ų18391.9 Ų91.980%0.79648%0.477SS*.  trans-62.796.1174.2-88.7-179.6173.9175.10108.6V191 Q195V191-K193 PolarHBondContact O-N 2.8Å; K193-Q195 PolarHBondContact O-N 3.06Å
194D58.5Low59.4Low74 Ų7488.5 Ų88.540%0.39645%0.451SS..  trans-57.2131.2166.8-72.8-41.6000108.8K192K192-D194 VanDerWaalsContact C-N 3.35Å; K192-D194 PolarHBondContact O-N 3.24Å
195Q69.1Low61.1Low104 Ų10482.3 Ų82.349%0.48642%0.419SS..  trans-60.6142.6177.5-74179.7-2900110.1K193 L197K193-Q195 PolarHBondContact O-N 3.06Å; Q195-L197 PolarHBondContact O-N 2.91Å
196P83.7Confident62.9Low22 Ų2275.6 Ų75.614%0.14338%0.383CS..  trans-45.1133.8170-29.533.3000112.8R126 L219R126-P196 WeakPolarHBondContact CD-O 3.23Å; R126-P196 PolarHBondContact NE-O 3.09Å; P196-L219 VanDerWaalsContact CD-O 3.24Å; P196-L219 WeakPolarHBondContact CD-O 3.28Å; P196-L219 HydrophobicContact CG-CB 4.34Å; P196-L219 HydrophobicContact CG-CD2 4.48Å; P196-L219 WeakPolarHBondContact CG-O 3.33Å
197L87.9Confident64.3Low7 Ų776.2 Ų76.24%0.03737%0.373CS..SBendtrans-95.1-22.8175.7-58.2-176.7000111.7F21 I121 R126 V127 W165 G176 Q195F21-L197 HydrophobicContact CZ-CD1 3.79Å; I121-L197 HydrophobicContact CG2-CB 3.99Å; I121-L197 HydrophobicContact CG2-CD1 3.9Å; R126-L197 CarbonylContact C-O 3.47Å; R126-L197 VanDerWaalsContact CA-O 3.28Å; R126-L197 WeakPolarHBondContact CA-O 3.45Å; V127-L197 PolarHBondContact N-O 2.7Å; W165-L197 HydrophobicContact CH2-CB 4.04Å; W165-L197 HydrophobicContact CH2-CD1 4.45Å; W165-L197 HydrophobicContact CZ3-CB 4.44Å; W165-L197 HydrophobicContact CZ3-CD1 4.02Å; G176-L197 PolarHBondContact O-N 2.95Å; Q195-L197 PolarHBondContact O-N 2.91Å
198I92Very high65.8Low0 Ų076.8 Ų76.80%037%0.368CS..EExtended strand (participates in β ladder)trans-133.7141.9175.5-169.2165.7000110.6F13 I121 V127 W165 W167 T175 G176 I200F13-I198 HydrophobicContact CE1-CD1 3.65Å; F13-I198 HydrophobicContact CZ-CD1 3.73Å; I121-I198 HydrophobicContact CD1-CD1 4.3Å; V127-I198 HydrophobicContact CB-CB 4.36Å; V127-I198 HydrophobicContact CB-CD1 4.13Å; V127-I198 HydrophobicContact CB-CG1 3.91Å; V127-I198 HydrophobicContact CG1-CD1 3.95Å; V127-I198 HydrophobicContact CG1-CG1 4.05Å; V127-I198 CarbonylContact O-C 3.56Å; V127-I198 VanDerWaalsContact O-CA 3.23Å; V127-I198 WeakPolarHBondContact O-CA 3.29Å; V127-I198 WeakPolarHBondContact O-CG1 3.48Å; W165-I198 HydrophobicContact CH2-CG2 4.15Å; W165-I198 HydrophobicContact CZ2-CG2 3.63Å; W167-I198 HydrophobicContact CH2-CG2 3.91Å; W167-I198 HydrophobicContact CZ3-CG2 3.73Å; T175-I198 CarbonylContact C-O 3.4Å; T175-I198 WeakPolarHBondContact CA-O 3.21Å; T175-I198 WeakPolarHBondContact CB-O 3.49Å; G176-I198 PolarHBondContact N-O 3.28Å; G176-I198 PolarHBondContact O-N 3.28Å; G176-I198 VanDerWaalsContact O-N 3.1Å; I198-I200 HydrophobicContact CD1-CD1 4.25Å; I198-I200 HydrophobicContact CD1-CG1 4.21Å; I198-I200 HydrophobicContact CG1-CD1 4.48Å; I198-I200 HydrophobicContact CG1-CG1 3.99Å
199A92.2Very high67.5Low0 Ų074.6 Ų74.60%035%0.352CS..EExtended strand (participates in β ladder)trans-126.4138.3167.500000108.7V127 L128 L129 I173 L174 T175 A216 L220V127-A199 PolarHBondContact O-N 3.31Å; L128-A199 CarbonylContact C-O 3.57Å; L128-A199 WeakPolarHBondContact CA-O 3.43Å; L128-A199 HydrophobicContact CD1-CB 4.13Å; L129-A199 PolarHBondContact N-O 2.89Å; I173-A199 HydrophobicContact CG2-CB 4.04Å; L174-A199 CarbonylContact O-C 3.6Å; T175-A199 HydrophobicContact CG2-CB 4.04Å; A199-A216 HydrophobicContact CB-CB 3.96Å; A199-L220 HydrophobicContact CB-CD1 3.93Å; A199-L220 HydrophobicContact CB-CD2 4.07Å; A199-L220 HydrophobicContact CB-CG 3.85Å
200I92.2Very high69.3Low0 Ų066.8 Ų66.80%032%0.322CS..EExtended strand (participates in β ladder)trans-129.2126-173.5-47.3179.7000108L129 L131 L144 T148 W167 L174 I198L129-I200 HydrophobicContact CB-CB 4.48Å; L129-I200 HydrophobicContact CB-CG1 4.13Å; L129-I200 HydrophobicContact CB-CG2 4.22Å; L129-I200 HydrophobicContact CD2-CD1 4.15Å; L129-I200 HydrophobicContact CD2-CG1 4.25Å; L129-I200 HydrophobicContact CD2-CG2 4.05Å; L129-I200 HydrophobicContact CG-CG2 4.19Å; L129-I200 VanDerWaalsContact O-CA 3.29Å; L129-I200 WeakPolarHBondContact O-CA 3.48Å; L131-I200 HydrophobicContact CD1-CG2 3.64Å; L131-I200 HydrophobicContact CG-CG2 3.83Å; L144-I200 HydrophobicContact CD1-CD1 4.1Å; L144-I200 HydrophobicContact CD2-CD1 3.89Å; L144-I200 HydrophobicContact CG-CD1 4.48Å; T148-I200 HydrophobicContact CG2-CB 4.33Å; T148-I200 HydrophobicContact CG2-CG2 3.69Å; W167-I200 HydrophobicContact CH2-CD1 3.84Å; W167-I200 HydrophobicContact CZ3-CD1 3.57Å; W167-I200 HydrophobicContact CZ3-CG1 4.44Å; L174-I200 HydrophobicContact CB-CB 4.12Å; L174-I200 HydrophobicContact CD2-CD1 3.82Å; L174-I200 HydrophobicContact CG-CD1 4.18Å; L174-I200 PolarHBondContact N-O 2.92Å; L174-I200 WeakPolarHBondContact O-CB 3.18Å; L174-I200 PolarHBondContact O-N 3.48Å; I198-I200 HydrophobicContact CD1-CD1 4.25Å; I198-I200 HydrophobicContact CD1-CG1 4.21Å; I198-I200 HydrophobicContact CG1-CD1 4.48Å; I198-I200 HydrophobicContact CG1-CG1 3.99Å
201L89.2Confident71.7Confident0 Ų061 Ų610%030%0.3CS..EExtended strand (participates in β ladder)trans-128.9152.8-179.9-66.1169.9000109.9L128 L129 I130 L131 I173 L206 H212 A216L128-L201 HydrophobicContact CD1-CD1 4.14Å; L129-L201 PolarHBondContact O-N 2.89Å; I130-L201 WeakPolarHBondContact CA-O 3.36Å; L131-L201 PolarHBondContact N-O 3.34Å; I173-L201 HydrophobicContact CB-CD2 4.05Å; I173-L201 HydrophobicContact CD1-CD2 4.03Å; I173-L201 HydrophobicContact CG1-CD2 3.6Å; I173-L201 HydrophobicContact CG2-CD2 3.9Å; I173-L201 HydrophobicContact CG2-CG 4.38Å; L201-L206 HydrophobicContact CD1-CD2 4.09Å; L201-H212 HydrophobicContact CD2-CB 4.29Å; L201-A216 HydrophobicContact CD1-CB 3.64Å; L201-A216 HydrophobicContact CD2-CB 4.44Å; L201-A216 HydrophobicContact CG-CB 4.12Å
202S84Confident74Confident0 Ų056.7 Ų56.70%027%0.272CS..EExtended strand (participates in β ladder)trans-81.3143.6162.51620000110.1T133 D204 C205T133-S202 PolarHBondContact OG1-OG 3.19Å; S202-D204 PolarHBondContact O-N 2.82Å; S202-D204 WeakPolarHBondContact OG-CB 3.33Å; S202-D204 PolarHBondContact OG-N 3.34Å; S202-C205 WeakPolarHBondContact O-CB 3.36Å; S202-C205 PolarHBondContact O-N 2.78Å
203I78.4Confident76.1Confident33 Ų3347.8 Ų47.817%0.16923%0.233CC..THydrogen-bonded Turntrans-59-25.3171-157.5166.2000112.5V53 I130 L131 L206V53-I203 HydrophobicContact CG1-CD1 3.46Å; V53-I203 VanDerWaalsContact CG1-CD1 3.46Å; V53-I203 HydrophobicContact CG1-CG1 3.84Å; I130-I203 HydrophobicContact CG2-CB 4.05Å; I130-I203 HydrophobicContact CG2-CG1 4.28Å; L131-I203 WeakPolarHBondContact O-CB 3.3Å; L131-I203 PolarHBondContact O-N 3.28Å; I203-L206 PolarHBondContact O-N 3.14Å
204D74.3Confident77.9Confident38 Ų3840 Ų4020%0.20320%0.2CC..THydrogen-bonded Turntrans-72-37.6178.2-65.4-42.3000111.2T133 S202 L206 K207 F208T133-D204 PolarHBondContact OG1-OD2 3.5Å; S202-D204 PolarHBondContact O-N 2.82Å; S202-D204 WeakPolarHBondContact OG-CB 3.33Å; S202-D204 PolarHBondContact OG-N 3.34Å; D204-L206 PolarHBondContact O-N 3Å; D204-K207 WeakPolarHBondContact O-CB 3.45Å; D204-K207 PolarHBondContact O-N 3.15Å; D204-K207 IonicContact OD1-NZ 3.05Å; D204-K207 PolarHBondContact OD1-NZ 2.98Å; D204-F208 WeakPolarHBondContact O-CD2 3.29Å
205C73.5Confident79.2Confident22 Ų2239.5 Ų39.515%0.14920%0.197CC..Hα-helixtrans-56.1-37.9174.5-60.10000111.8S202 K207 F208 E209S202-C205 WeakPolarHBondContact O-CB 3.36Å; S202-C205 PolarHBondContact O-N 2.78Å; C205-K207 VanDerWaalsContact C-N 3.27Å; C205-K207 PolarHBondContact O-N 3.37Å; C205-F208 PolarHBondContact O-N 3.09Å; C205-E209 PolarHBondContact O-N 2.95Å; C205-E209 VanDerWaalsContact O-N 3.07Å
206L71.9Confident80.1Confident16 Ų1634.6 Ų34.68%0.08417%0.174CC..Hα-helixtrans-72.1-19.2-178.4-61.3177.8000114L57 K60 I130 L201 I203 D204 L213L57-L206 HydrophobicContact CD1-CD1 3.56Å; K60-L206 PolarHBondContact NZ-O 3.11Å; I130-L206 HydrophobicContact CD1-CD1 3.89Å; I130-L206 HydrophobicContact CG1-CD1 4.41Å; I130-L206 HydrophobicContact CG2-CD1 3.95Å; L201-L206 HydrophobicContact CD1-CD2 4.09Å; I203-L206 PolarHBondContact O-N 3.14Å; D204-L206 PolarHBondContact O-N 3Å; L206-L213 HydrophobicContact CD2-CB 3.75Å; L206-L213 HydrophobicContact CD2-CD1 4.39Å
207K65.4Low80.2Confident117 Ų11733.5 Ų33.551%0.50917%0.167SC..Hα-helixtrans-76.2-32.6174.5-64.9174.1-173.8160.30111.8D204 C205D204-K207 WeakPolarHBondContact O-CB 3.45Å; D204-K207 PolarHBondContact O-N 3.15Å; D204-K207 IonicContact OD1-NZ 3.05Å; D204-K207 PolarHBondContact OD1-NZ 2.98Å; C205-K207 VanDerWaalsContact C-N 3.27Å; C205-K207 PolarHBondContact O-N 3.37Å
208F61.8Low80Confident172 Ų17237.1 Ų37.175%0.75419%0.186SC*.Hα-helixtrans-96.4-38.5-173.3-62.2-70.2000112.9D204 C205D204-F208 WeakPolarHBondContact O-CD2 3.29Å; C205-F208 PolarHBondContact O-N 3.09Å
209E67.4Low79.7Confident110 Ų11039.1 Ų39.151%0.51420%0.197SC..  trans-143.4117.2-174.2-76.7-178.2-159.800111.3C205 T211 H212C205-E209 PolarHBondContact O-N 2.95Å; C205-E209 VanDerWaalsContact O-N 3.07Å; E209-T211 VanDerWaalsContact C-N 3.29Å; E209-T211 PolarHBondContact O-N 3.29Å; E209-H212 VanDerWaalsContact CB-ND1 3.29Å; E209-H212 WeakPolarHBondContact CB-ND1 3.29Å; E209-H212 IonicContact OE2-CE1 3.54Å; E209-H212 PolarHBondContact OE2-CE1 3.23Å; E209-H212 IonicContact OE2-ND1 2.61Å
210A67Low79.4Confident21 Ų2139.2 Ų39.217%0.17420%0.198CC..THydrogen-bonded Turntrans-65.8-31.6179.800000113.8K60 H212 L213 C227K60-A210 VanDerWaalsContact CE-CA 3.49Å; K60-A210 VanDerWaalsContact NZ-CA 3.28Å; K60-A210 VanDerWaalsContact NZ-CB 3.27Å; A210-H212 PolarHBondContact O-N 3.11Å; A210-L213 WeakPolarHBondContact O-CB 3.28Å; A210-L213 PolarHBondContact O-N 3.17Å; A210-C227 HydrophobicContact CB-CB 4.33Å
211T77.8Confident78.7Confident65 Ų6540.7 Ų40.740%0.39921%0.212SC..Hα-helixtrans-52.9-37.5-178.548.60000112.8E209 L213 E214 D215E209-T211 VanDerWaalsContact C-N 3.29Å; E209-T211 PolarHBondContact O-N 3.29Å; T211-L213 PolarHBondContact O-N 2.98Å; T211-E214 WeakPolarHBondContact O-CA 3.48Å; T211-E214 WeakPolarHBondContact O-CB 3.41Å; T211-E214 PolarHBondContact O-N 2.69Å; T211-D215 WeakPolarHBondContact O-CB 3.25Å; T211-D215 PolarHBondContact O-N 3.44Å
212H81.9Confident78.2Confident19 Ų1941 Ų419%0.08821%0.214CC..Hα-helixtrans-57.7-33.2178.2-71.790.6000113.6D171 S172 I173 L201 E209 A210 A216D171-H212 PolarHBondContact O-CD2 3.05Å; D171-H212 PolarHBondContact O-NE2 3.18Å; S172-H212 PolarHBondContact OG-NE2 3.3Å; I173-H212 WeakPolarHBondContact CD1-O 3.31Å; L201-H212 HydrophobicContact CD2-CB 4.29Å; E209-H212 VanDerWaalsContact CB-ND1 3.29Å; E209-H212 WeakPolarHBondContact CB-ND1 3.29Å; E209-H212 IonicContact OE2-CE1 3.54Å; E209-H212 PolarHBondContact OE2-CE1 3.23Å; E209-H212 IonicContact OE2-ND1 2.61Å; A210-H212 PolarHBondContact O-N 3.11Å; H212-A216 WeakPolarHBondContact O-CB 3.15Å; H212-A216 PolarHBondContact O-N 2.97Å
213L85.2Confident77.7Confident0 Ų044.7 Ų44.70%024%0.24CC..Hα-helixtrans-69.7-44.1175.3-176.660.4000110.9K60 I61 V64 L128 L206 A210 T211 A216 L217K60-L213 HydrophobicContact CB-CD2 4.15Å; K60-L213 HydrophobicContact CD-CD2 4.41Å; K60-L213 HydrophobicContact CG-CD2 3.9Å; I61-L213 HydrophobicContact CG1-CD1 4.14Å; I61-L213 HydrophobicContact CG1-CD2 3.84Å; V64-L213 HydrophobicContact CG2-CD2 4.33Å; L128-L213 HydrophobicContact CD2-CD1 3.77Å; L206-L213 HydrophobicContact CD2-CB 3.75Å; L206-L213 HydrophobicContact CD2-CD1 4.39Å; A210-L213 WeakPolarHBondContact O-CB 3.28Å; A210-L213 PolarHBondContact O-N 3.17Å; T211-L213 PolarHBondContact O-N 2.98Å; L213-A216 PolarHBondContact O-N 3.32Å; L213-L217 HydrophobicContact CD1-CD1 4.31Å; L213-L217 HydrophobicContact CD1-CG 4.49Å; L213-L217 HydrophobicContact CG-CD1 4.04Å; L213-L217 WeakPolarHBondContact O-CB 3.36Å; L213-L217 VanDerWaalsContact O-CG 3.25Å; L213-L217 WeakPolarHBondContact O-CG 3.21Å; L213-L217 PolarHBondContact O-N 3.1Å
214E83.5Confident77.3Confident21 Ų2144.2 Ų44.210%0.09824%0.239CC..Hα-helixtrans-62.5-46177.9-41-172.6174.300110.4V64 T211 A216 L217 N218 C224 C227V64-E214 HydrophobicContact CG1-CB 4.03Å; V64-E214 HydrophobicContact CG1-CG 3.65Å; V64-E214 HydrophobicContact CG2-CG 4.02Å; T211-E214 WeakPolarHBondContact O-CA 3.48Å; T211-E214 WeakPolarHBondContact O-CB 3.41Å; T211-E214 PolarHBondContact O-N 2.69Å; E214-A216 VanDerWaalsContact C-N 3.34Å; E214-A216 PolarHBondContact O-N 3.23Å; E214-L217 PolarHBondContact O-N 3.16Å; E214-N218 VanDerWaalsContact O-CB 3.27Å; E214-N218 WeakPolarHBondContact O-CB 3.36Å; E214-N218 PolarHBondContact O-N 3.15Å; E214-N218 PolarHBondContact O-ND2 2.92Å; E214-N218 VanDerWaalsContact O-ND2 3.09Å; E214-C224 HydrophobicContact CB-CB 4.36Å; E214-C227 WeakPolarHBondContact OE1-CA 3.3Å; E214-C227 WeakPolarHBondContact OE1-CB 3.26Å; E214-C227 PolarHBondContact OE1-N 2.88Å; E214-C227 PolarHBondContact OE1-SG 3.07Å
215D85.4Confident76.9Confident63 Ų6345.4 Ų45.434%0.33725%0.248SC..Hα-helixtrans-61-42.8177.6-71.6-30.6000111.2I173 T211 N218 L219I173-D215 HydrophobicContact CD1-CB 3.49Å; I173-D215 VanDerWaalsContact CD1-CB 3.49Å; T211-D215 WeakPolarHBondContact O-CB 3.25Å; T211-D215 PolarHBondContact O-N 3.44Å; D215-N218 PolarHBondContact O-N 3.44Å; D215-L219 WeakPolarHBondContact O-CB 3.46Å; D215-L219 WeakPolarHBondContact O-CD1 3.39Å; D215-L219 WeakPolarHBondContact O-CG 3.46Å; D215-L219 PolarHBondContact O-N 3.36Å
216A88.1Confident76Confident0 Ų049 Ų490%027%0.271CS..Hα-helixtrans-62.9-44.7175.700000112L128 I173 A199 L201 H212 L213 E214 L219 L220L128-A216 HydrophobicContact CD1-CB 3.86Å; I173-A216 HydrophobicContact CD1-CB 4Å; I173-A216 VanDerWaalsContact CD1-N 3.35Å; I173-A216 HydrophobicContact CG2-CB 4.14Å; A199-A216 HydrophobicContact CB-CB 3.96Å; L201-A216 HydrophobicContact CD1-CB 3.64Å; L201-A216 HydrophobicContact CD2-CB 4.44Å; L201-A216 HydrophobicContact CG-CB 4.12Å; H212-A216 WeakPolarHBondContact O-CB 3.15Å; H212-A216 PolarHBondContact O-N 2.97Å; L213-A216 PolarHBondContact O-N 3.32Å; E214-A216 VanDerWaalsContact C-N 3.34Å; E214-A216 PolarHBondContact O-N 3.23Å; A216-L219 PolarHBondContact O-N 3.46Å; A216-L220 WeakPolarHBondContact O-CG 3.42Å; A216-L220 PolarHBondContact O-N 3.43Å; A216-L220 VanDerWaalsContact O-N 3.09Å
217L86.5Confident75Confident0 Ų050.5 Ų50.50%028%0.282CS..Hα-helixtrans-66.4-43.2178.6-71.3169.5000111.3V64 V65 L91 L128 L213 E214 L219 L220 G221 I222 C224V64-L217 HydrophobicContact CB-CD1 4.43Å; V64-L217 HydrophobicContact CG1-CD1 3.74Å; V65-L217 HydrophobicContact CG2-CD1 3.74Å; V65-L217 HydrophobicContact CG2-CD2 4.45Å; L91-L217 HydrophobicContact CD2-CD2 3.62Å; L128-L217 HydrophobicContact CD2-CD2 4.24Å; L213-L217 HydrophobicContact CD1-CD1 4.31Å; L213-L217 HydrophobicContact CD1-CG 4.49Å; L213-L217 HydrophobicContact CG-CD1 4.04Å; L213-L217 WeakPolarHBondContact O-CB 3.36Å; L213-L217 VanDerWaalsContact O-CG 3.25Å; L213-L217 WeakPolarHBondContact O-CG 3.21Å; L213-L217 PolarHBondContact O-N 3.1Å; E214-L217 PolarHBondContact O-N 3.16Å; L217-L219 VanDerWaalsContact C-N 3.33Å; L217-L219 PolarHBondContact O-N 2.84Å; L217-L220 CarbonylContact O-C 3.59Å; L217-L220 WeakPolarHBondContact O-CA 3.39Å; L217-L220 WeakPolarHBondContact O-CB 3.45Å; L217-L220 PolarHBondContact O-N 3.47Å; L217-L220 VanDerWaalsContact O-N 3.08Å; L217-G221 PolarHBondContact O-N 3.42Å; L217-I222 CarbonylContact C-O 3.58Å; L217-I222 HydrophobicContact CB-CB 4.18Å; L217-I222 HydrophobicContact CB-CG2 4.4Å; L217-I222 HydrophobicContact CD2-CB 4.35Å; L217-I222 HydrophobicContact CD2-CD1 3.93Å; L217-I222 HydrophobicContact CD2-CG2 4.25Å; L217-I222 WeakPolarHBondContact O-CA 3.43Å; L217-I222 WeakPolarHBondContact O-CB 3.43Å; L217-I222 PolarHBondContact O-N 2.62Å; L217-C224 WeakPolarHBondContact CB-SG 3.36Å
218N83.3Confident74Confident82 Ų8251 Ų5144%0.43930%0.295SS..Hα-helixtrans-60.6-41.3174.6-75.2-36.8000111.5E214 D215 L220 G221 I222E214-N218 VanDerWaalsContact O-CB 3.27Å; E214-N218 WeakPolarHBondContact O-CB 3.36Å; E214-N218 PolarHBondContact O-N 3.15Å; E214-N218 PolarHBondContact O-ND2 2.92Å; E214-N218 VanDerWaalsContact O-ND2 3.09Å; D215-N218 PolarHBondContact O-N 3.44Å; N218-L220 VanDerWaalsContact C-N 3.27Å; N218-L220 PolarHBondContact O-N 2.77Å; N218-G221 PolarHBondContact O-N 2.91Å; N218-I222 PolarHBondContact OD1-O 3.05Å
219L84.6Confident72.8Confident42 Ų4249.8 Ų49.822%0.2230%0.296CS..Hα-helixtrans-62-34.6174.1-75.2166.3000112.2I173 T175 P196 D215 A216 L217 G221I173-L219 HydrophobicContact CB-CD1 4.33Å; I173-L219 HydrophobicContact CD1-CD1 4Å; I173-L219 HydrophobicContact CG2-CD1 4.25Å; T175-L219 HydrophobicContact CG2-CB 4.3Å; T175-L219 HydrophobicContact CG2-CD1 3.72Å; P196-L219 VanDerWaalsContact CD-O 3.24Å; P196-L219 WeakPolarHBondContact CD-O 3.28Å; P196-L219 HydrophobicContact CG-CB 4.34Å; P196-L219 HydrophobicContact CG-CD2 4.48Å; P196-L219 WeakPolarHBondContact CG-O 3.33Å; D215-L219 WeakPolarHBondContact O-CB 3.46Å; D215-L219 WeakPolarHBondContact O-CD1 3.39Å; D215-L219 WeakPolarHBondContact O-CG 3.46Å; D215-L219 PolarHBondContact O-N 3.36Å; A216-L219 PolarHBondContact O-N 3.46Å; L217-L219 VanDerWaalsContact C-N 3.33Å; L217-L219 PolarHBondContact O-N 2.84Å; L219-G221 PolarHBondContact O-N 2.83Å
220L86.2Confident71.2Confident3 Ų352.2 Ų52.22%0.01631%0.312CS..THydrogen-bonded Turntrans-77.3-1.9174.2-67.4175.9000113.7L91 R126 L128 A199 A216 L217 N218 I222L91-L220 HydrophobicContact CD1-CD1 3.66Å; R126-L220 HydrophobicContact CB-CB 4.36Å; R126-L220 HydrophobicContact CB-CD2 4.21Å; R126-L220 PolarHBondContact NE-O 3.21Å; L128-L220 HydrophobicContact CB-CD1 4.07Å; A199-L220 HydrophobicContact CB-CD1 3.93Å; A199-L220 HydrophobicContact CB-CD2 4.07Å; A199-L220 HydrophobicContact CB-CG 3.85Å; A216-L220 WeakPolarHBondContact O-CG 3.42Å; A216-L220 PolarHBondContact O-N 3.43Å; A216-L220 VanDerWaalsContact O-N 3.09Å; L217-L220 CarbonylContact O-C 3.59Å; L217-L220 WeakPolarHBondContact O-CA 3.39Å; L217-L220 WeakPolarHBondContact O-CB 3.45Å; L217-L220 PolarHBondContact O-N 3.47Å; L217-L220 VanDerWaalsContact O-N 3.08Å; N218-L220 VanDerWaalsContact C-N 3.27Å; N218-L220 PolarHBondContact O-N 2.77Å; L220-I222 HydrophobicContact CB-CD1 4.22Å; L220-I222 HydrophobicContact CB-CG1 4.36Å
221G78.4Confident69.5Low30 Ų3059.7 Ų59.731%0.30934%0.343SS..THydrogen-bonded Turntrans78.923.2-176.700000113.8L217 N218 L219L217-G221 PolarHBondContact O-N 3.42Å; N218-G221 PolarHBondContact O-N 2.91Å; L219-G221 PolarHBondContact O-N 2.83Å
222I78.8Confident67.3Low7 Ų763.4 Ų63.44%0.03636%0.361CS..  trans-101.5114.7178.3-60.6172.1000108.4I34 V65 L91 L217 N218 L220 C224I34-I222 HydrophobicContact CD1-CB 4.45Å; I34-I222 HydrophobicContact CD1-CG1 4.3Å; I34-I222 HydrophobicContact CD1-CG2 3.87Å; V65-I222 HydrophobicContact CG1-CG2 4Å; V65-I222 HydrophobicContact CG2-CG2 4.02Å; L91-I222 HydrophobicContact CB-CD1 3.71Å; L91-I222 HydrophobicContact CD1-CD1 3.79Å; L91-I222 HydrophobicContact CD2-CD1 3.43Å; L91-I222 VanDerWaalsContact CD2-CD1 3.43Å; L91-I222 HydrophobicContact CG-CD1 3.81Å; L217-I222 CarbonylContact C-O 3.58Å; L217-I222 HydrophobicContact CB-CB 4.18Å; L217-I222 HydrophobicContact CB-CG2 4.4Å; L217-I222 HydrophobicContact CD2-CB 4.35Å; L217-I222 HydrophobicContact CD2-CD1 3.93Å; L217-I222 HydrophobicContact CD2-CG2 4.25Å; L217-I222 WeakPolarHBondContact O-CA 3.43Å; L217-I222 WeakPolarHBondContact O-CB 3.43Å; L217-I222 PolarHBondContact O-N 2.62Å; N218-I222 PolarHBondContact OD1-O 3.05Å; L220-I222 HydrophobicContact CB-CD1 4.22Å; L220-I222 HydrophobicContact CB-CG1 4.36Å; I222-C224 PolarHBondContact O-N 2.94Å; I222-C224 PolarHBondContact O-SG 2.94Å
223S72.3Confident64.9Low78 Ų7868.4 Ų68.455%0.54539%0.388SS..  trans-63.1130.9179.7-59.30000111.4V66V66-S223 WeakPolarHBondContact CG2-O 3.5Å; V66-S223 PolarHBondContact N-O 3.14Å
224C71.1Confident62.4Low23 Ų2374.7 Ų74.716%0.15543%0.426CS..BIsolated β-bridgetrans-117.9152.6179.2-59.60000111.6V64 E214 L217 I222V64-C224 HydrophobicContact CG1-CB 3.59Å; V64-C224 VanDerWaalsContact CG1-SG 3.55Å; V64-C224 CarbonylContact O-C 3.59Å; V64-C224 WeakPolarHBondContact O-CA 3.46Å; V64-C224 WeakPolarHBondContact O-CB 3.22Å; E214-C224 HydrophobicContact CB-CB 4.36Å; L217-C224 WeakPolarHBondContact CB-SG 3.36Å; I222-C224 PolarHBondContact O-N 2.94Å; I222-C224 PolarHBondContact O-SG 2.94Å
225V64.3Low60.1Low62 Ų6277.5 Ų77.538%0.37644%0.44SS..PPolyproline II helixtrans-94.9135163.6-1770000107.1V64 V66 C227V64-V225 PolarHBondContact O-N 3.33Å; V66-V225 HydrophobicContact CB-CG2 4.38Å; V66-V225 HydrophobicContact CG2-CG2 3.98Å; V225-C227 PolarHBondContact O-N 3.01Å
226P56Low57.7Low98 Ų9879.6 Ų79.664%0.63645%0.451SS*.PPolyproline II helixtrans-58.3128.4176.6-20.731000111.3V228P226-V228 PolarHBondContact O-N 2.9Å
227C50.9Low55.1Low48 Ų4888.4 Ų88.432%0.32449%0.489SS..PPolyproline II helixtrans-62.3119.3171.5-89.30000109.6V64 A210 E214 V225V64-C227 WeakPolarHBondContact CG2-SG 3.24Å; A210-C227 HydrophobicContact CB-CB 4.33Å; E214-C227 WeakPolarHBondContact OE1-CA 3.3Å; E214-C227 WeakPolarHBondContact OE1-CB 3.26Å; E214-C227 PolarHBondContact OE1-N 2.88Å; E214-C227 PolarHBondContact OE1-SG 3.07Å; V225-C227 PolarHBondContact O-N 3.01Å
228V43.1Very low52.4Low128 Ų12892.5 Ų92.578%0.77651%0.51SS*.PPolyproline II helixtrans-88.7125158.9-170.70000106.4P226 L230P226-V228 PolarHBondContact O-N 2.9Å; V228-L230 PolarHBondContact O-N 3.27Å
229D36.4Very low49.9Very low146 Ų14690.9 Ų90.978%0.78150%0.501SS*.  trans-50.4103.9-174.5-65.8-49.9000112.3E231D229-E231 VanDerWaalsContact C-N 3.33Å; D229-E231 PolarHBondContact O-N 3.12Å
230L35.6Very low47.2Very low161 Ų16190.6 Ų90.684%0.84350%0.502SS*.  trans-87.375.9172.3-77.4157.5000108.7V228V228-L230 PolarHBondContact O-N 3.27Å
231E31.1Very low44.5Very low177 Ų17796.2 Ų96.283%0.82753%0.532SS*.  trans-70.2131.2163-69.6-171.4157.600110D229D229-E231 VanDerWaalsContact C-N 3.33Å; D229-E231 PolarHBondContact O-N 3.12Å
232D29.8Very low42.3Very low144 Ų14497 Ų9777%0.7753%0.531SS*.  trans60.8122.4166.3-85.6-21.8000119.5
233N32.8Very low40.1Very low124 Ų12498.2 Ų98.266%0.66354%0.538SS*.  153.2111.2122.2-74.6-52.4000114.6H235N233-H235 PolarHBondContact O-N 3.42Å
234T33.2Very low38.2Very low131 Ų13197 Ų9780%0.80453%0.53SS*.SBendtrans60.9-1.3136.355.30000123.5
235H33.8Very low36.5Very low81 Ų8199 Ų9938%0.37554%0.544SS..  trans-90.62.4179.7-77.5-68.2000116.6N233 K237 I238 L239N233-H235 PolarHBondContact O-N 3.42Å; H235-K237 VanDerWaalsContact C-N 3.27Å; H235-K237 PolarHBondContact O-N 2.85Å; H235-K237 VanDerWaalsContact O-N 3.08Å; H235-I238 PolarHBondContact O-N 2.87Å; H235-L239 HydrophobicContact CB-CD1 4.44Å
236D36.3Very low35.2Very low106 Ų10698.2 Ų98.257%0.56754%0.539SS*.THydrogen-bonded Turntrans-68-10.7-167.7-77.8-15.3000116.5
237K32.3Very low34Very low185 Ų18599.1 Ų99.180%0.80453%0.534SS*.THydrogen-bonded Turntrans-90.6-17.9-179.4-118.9178.5-177.8177.10115.1H235H235-K237 VanDerWaalsContact C-N 3.27Å; H235-K237 PolarHBondContact O-N 2.85Å; H235-K237 VanDerWaalsContact O-N 3.08Å
238I30.9Very low33.4Very low86 Ų86102.8 Ų102.844%0.44155%0.55SS..THydrogen-bonded Turntrans-94.9-35.7-175.7-63.4174.1000110.5H235 S240 N241 T242H235-I238 PolarHBondContact O-N 2.87Å; I238-S240 PolarHBondContact O-N 3.19Å; I238-N241 PolarHBondContact O-N 3.03Å; I238-T242 PolarHBondContact O-OG1 2.59Å; I238-T242 VanDerWaalsContact O-OG1 3.08Å
239L29.4Very low33.6Very low49 Ų49100.3 Ų100.326%0.25754%0.538SS..Hα-helixtrans-71.9-26.1-177.4-87.7129.1000114.7H235 N241 T242 L243H235-L239 HydrophobicContact CB-CD1 4.44Å; L239-N241 PolarHBondContact O-N 2.85Å; L239-T242 PolarHBondContact O-N 3.43Å; L239-L243 PolarHBondContact O-N 2.72Å
240S29.5Very low34.5Very low35 Ų3595.6 Ų95.625%0.24551%0.513CS..Hα-helixtrans-67.1-26.317869.60000113.4I238 S244I238-S240 PolarHBondContact O-N 3.19Å; S240-S244 PolarHBondContact O-OG 3.06Å
241N29.5Very low35.9Very low121 Ų12189.2 Ų89.265%0.64748%0.482SS*.Hα-helixtrans-85.1-21.7-180-72.9-10.4000112.6I238 L239 S244I238-N241 PolarHBondContact O-N 3.03Å; L239-N241 PolarHBondContact O-N 2.85Å; N241-S244 PolarHBondContact O-OG 3.29Å
242T32.1Very low38Very low46 Ų4688.3 Ų88.328%0.28248%0.475SS..Hα-helixtrans-90-24.7-176.9-18.90000113I238 L239 S245 P293I238-T242 PolarHBondContact O-OG1 2.59Å; I238-T242 VanDerWaalsContact O-OG1 3.08Å; L239-T242 PolarHBondContact O-N 3.43Å; T242-S245 PolarHBondContact O-OG 3.46Å; T242-P293 HydrophobicContact CG2-CB 3.93Å; T242-P293 HydrophobicContact CG2-CG 4.01Å
243L31.6Very low40.6Very low33 Ų3384.6 Ų84.617%0.17346%0.455CS..G310 helixtrans-86.1-15.9-178.5-75.3162000114Q55 V58 L239Q55-L243 HydrophobicContact CG-CD1 4.43Å; V58-L243 HydrophobicContact CG1-CD2 4.16Å; L239-L243 PolarHBondContact O-N 2.72Å
244S32Very low43.4Very low54 Ų5478.7 Ų78.738%0.37842%0.423SS..G310 helixtrans-86.4-0.4179.741.80000114.1S240 N241S240-S244 PolarHBondContact O-OG 3.06Å; N241-S244 PolarHBondContact O-OG 3.29Å
245S35.2Very low46.2Very low64 Ų6473.7 Ų73.745%0.44839%0.391SS..G310 helixtrans-110.717.1-173.968.90000115.6T242 H247T242-S245 PolarHBondContact O-OG 3.46Å; S245-H247 PolarHBondContact O-N 3.17Å
246V37Very low49Very low45 Ų4569.8 Ų69.827%0.27337%0.373SS..  trans-8043.4173.8-169.80000111.6P74P74-V246 VanDerWaalsContact CD-CG1 3.46Å; P74-V246 HydrophobicContact CG-CB 3.26Å; P74-V246 HydrophobicContact CG-CG1 3.61Å; P74-V246 HydrophobicContact CG-CG2 3.56Å
247H31.4Very low51.7Low117 Ų11765.4 Ų65.454%0.54235%0.348SS..SBendtrans-81.4135.8152.3-84.4-66.6000107.1S245 S249S245-H247 PolarHBondContact O-N 3.17Å; H247-S249 VanDerWaalsContact CB-OG 3.3Å; H247-S249 WeakPolarHBondContact CB-OG 3.45Å; H247-S249 PolarHBondContact O-N 3.35Å; H247-S249 VanDerWaalsContact O-O 3.12Å; H247-S249 PolarHBondContact O-OG 2.99Å
248L38.8Very low54.6Low125 Ų12556.9 Ų56.965%0.65431%0.312SS*.SBendtrans-54.92167-81.9146.5000113.9
249S46.1Very low57.4Low76 Ų7656.4 Ų56.453%0.53132%0.315SS..SBendtrans-61.4135.5165.753.80000109.8H247 S251H247-S249 VanDerWaalsContact CB-OG 3.3Å; H247-S249 WeakPolarHBondContact CB-OG 3.45Å; H247-S249 PolarHBondContact O-N 3.35Å; H247-S249 VanDerWaalsContact O-O 3.12Å; H247-S249 PolarHBondContact O-OG 2.99Å; S249-S251 PolarHBondContact O-N 3.02Å
250D55.9Low60.2Low47 Ų4756.3 Ų56.325%0.25131%0.314SS..PPolyproline II helixtrans-49.2126.7170.6-58-55.6000109.4K252 E321 S348D250-K252 PolarHBondContact O-N 3.16Å; D250-E321 HydrophobicContact CB-CG 4.49Å; D250-E321 PolarHBondContact OD1-N 3.42Å; D250-E321 WeakPolarHBondContact OD2-CG 3.32Å; D250-S348 PolarHBondContact OD1-OG 2.79Å; D250-S348 PolarHBondContact OD2-OG 3.35Å
251S64.3Low62.9Low27 Ų2759.6 Ų59.619%0.18934%0.337CS..PPolyproline II helixtrans-63130-179.1-176.80000108.5S249 I253 S317 S319S249-S251 PolarHBondContact O-N 3.02Å; S251-I253 PolarHBondContact OG-N 3.08Å; S251-I253 VanDerWaalsContact OG-N 3.16Å; S251-I253 PolarHBondContact OG-O 3.42Å; S251-S317 WeakPolarHBondContact CB-OG 3.48Å; S251-S319 PolarHBondContact N-O 2.78Å
252K76Confident65.5Low159 Ų15962.1 Ų62.169%0.69134%0.342SS*.SBendtrans-69.1-28.8170.1-68.2-175.6-179.81780111.2D250 K281 E282D250-K252 PolarHBondContact O-N 3.16Å; K252-K281 CarbonylContact O-C 3.46Å; K252-K281 WeakPolarHBondContact O-CA 3.5Å; K252-E282 PolarHBondContact O-N 2.97Å
253I84.5Confident68.1Low65 Ų6560.3 Ų60.333%0.33333%0.33SS..EExtended strand (participates in β ladder)trans-96.5126.3-176.3-55.3173.9000109.5S251 E282S251-I253 PolarHBondContact OG-N 3.08Å; S251-I253 VanDerWaalsContact OG-N 3.16Å; S251-I253 PolarHBondContact OG-O 3.42Å; I253-E282 CarbonylContact C-O 3.53Å; I253-E282 WeakPolarHBondContact CA-O 3.43Å
254L91.4Very high70.7Confident0 Ų063.9 Ų63.90%035%0.345CS..EExtended strand (participates in β ladder)trans-105.7125.1169.9-56.3-177.4000108.6K281 E282 I283 S284 V315 M320 F326L254-K281 HydrophobicContact CD1-CB 4.18Å; L254-K281 HydrophobicContact CD1-CD 3.67Å; L254-K281 HydrophobicContact CD2-CD 4.04Å; L254-K281 HydrophobicContact CG-CB 4.31Å; L254-K281 HydrophobicContact CG-CD 3.98Å; L254-E282 PolarHBondContact N-O 3.33Å; L254-I283 HydrophobicContact CB-CG1 4.27Å; L254-I283 HydrophobicContact CD1-CG1 4.41Å; L254-I283 CarbonylContact O-C 3.54Å; L254-I283 WeakPolarHBondContact O-CA 3.48Å; L254-S284 PolarHBondContact O-N 3.06Å; L254-V315 HydrophobicContact CB-CG1 3.73Å; L254-V315 HydrophobicContact CD1-CG1 3.99Å; L254-V315 HydrophobicContact CG-CG1 4.4Å; L254-M320 HydrophobicContact CD2-CE 3.86Å; L254-F326 HydrophobicContact CD1-CD2 4.19Å; L254-F326 HydrophobicContact CD1-CE1 4.17Å; L254-F326 HydrophobicContact CD1-CE2 3.44Å; L254-F326 VanDerWaalsContact CD1-CE2 3.44Å; L254-F326 HydrophobicContact CD1-CZ 3.42Å; L254-F326 VanDerWaalsContact CD1-CZ 3.42Å
255H91.4Very high73.3Confident26 Ų2669.6 Ų69.612%0.1236%0.363CS..EExtended strand (participates in β ladder)trans-89.5126.9179-64.2-90.1000109.9S284 L292 P293 V315 W316H255-S284 CarbonylContact C-O 3.54Å; H255-S284 WeakPolarHBondContact CA-O 3.25Å; H255-L292 HydrophobicContact CB-CD2 4.26Å; H255-P293 HydrophobicContact CB-CG 4.24Å; H255-P293 VanDerWaalsContact CD2-CG 3.43Å; H255-P293 WeakPolarHBondContact CD2-CG 3.46Å; H255-P293 WeakPolarHBondContact CE1-CG 2.76Å; H255-P293 VanDerWaalsContact CG-CG 3.43Å; H255-P293 WeakPolarHBondContact ND1-CG 3.39Å; H255-P293 WeakPolarHBondContact NE2-CG 3.49Å; H255-V315 CarbonylContact O-C 3.44Å; H255-V315 WeakPolarHBondContact O-CA 3.39Å; H255-W316 HydrophobicContact CB-CE3 4.39Å; H255-W316 PolarHBondContact N-O 2.87Å; H255-W316 PolarHBondContact O-N 3.43Å
256C93.7Very high75.8Confident0 Ų067.2 Ų67.20%035%0.345CS..EExtended strand (participates in β ladder)trans-118.9135-176.3-176.90000110.8I283 S284 Y285 C286 L313 I314 V315C256-I283 HydrophobicContact CB-CG2 3.62Å; C256-S284 PolarHBondContact N-O 3.36Å; C256-Y285 WeakPolarHBondContact O-CA 2.82Å; C256-Y285 WeakPolarHBondContact O-CD2 3.21Å; C256-C286 PolarHBondContact O-N 3.45Å; C256-L313 VanDerWaalsContact SG-CD1 3.55Å; C256-I314 CarbonylContact C-O 3.55Å; C256-I314 VanDerWaalsContact CA-O 3.28Å; C256-I314 WeakPolarHBondContact CA-O 3.34Å; C256-V315 HydrophobicContact CB-CG2 4.24Å
257F93.6Very high78.3Confident13 Ų1365.1 Ų65.16%0.05733%0.332CS..EExtended strand (participates in β ladder)trans-142.3147.7176177.1-96.1000111.4P259 C286 L289 L292 W298 F302 I314F257-P259 HydrophobicContact CE1-CB 4.28Å; F257-P259 HydrophobicContact CE1-CG 4.41Å; F257-P259 HydrophobicContact CZ-CB 4.4Å; F257-C286 WeakPolarHBondContact CD2-O 3.2Å; F257-L289 HydrophobicContact CD1-CD2 4.05Å; F257-L289 HydrophobicContact CE1-CD2 3.52Å; F257-L289 HydrophobicContact CE1-CG 4.36Å; F257-L289 HydrophobicContact CE2-CD2 4.16Å; F257-L289 HydrophobicContact CE2-CG 4.45Å; F257-L289 HydrophobicContact CZ-CD2 3.59Å; F257-L289 HydrophobicContact CZ-CG 3.96Å; F257-L292 HydrophobicContact CB-CD1 3.69Å; F257-L292 HydrophobicContact CB-CD2 3.94Å; F257-L292 HydrophobicContact CB-CG 4.34Å; F257-L292 HydrophobicContact CD1-CD1 4.23Å; F257-L292 HydrophobicContact CD2-CD1 3.87Å; F257-L292 HydrophobicContact CG-CD1 3.67Å; F257-W298 HydrophobicContact CB-CZ3 4.49Å; F257-F302 HydrophobicContact CD1-CD2 4.31Å; F257-F302 HydrophobicContact CD1-CE1 4.38Å; F257-F302 AromaticContact CD1-CE2 3.29Å; F257-F302 HydrophobicContact CD1-CE2 3.29Å; F257-F302 AromaticContact CD1-CZ 3.36Å; F257-F302 HydrophobicContact CD1-CZ 3.36Å; F257-F302 AromaticContact CE1-CD2 4Å; F257-F302 HydrophobicContact CE1-CD2 4Å; F257-F302 HydrophobicContact CE1-CE1 4.23Å; F257-F302 AromaticContact CE1-CE2 3.38Å; F257-F302 HydrophobicContact CE1-CE2 3.38Å; F257-F302 AromaticContact CE1-CZ 3.54Å; F257-F302 HydrophobicContact CE1-CZ 3.54Å; F257-F302 HydrophobicContact CG-CE2 4.5Å; F257-I314 HydrophobicContact CB-CG2 4.2Å; F257-I314 HydrophobicContact CD1-CG2 4.46Å; F257-I314 PolarHBondContact N-O 3.28Å; F257-I314 WeakPolarHBondContact O-CG2 3.3Å; F257-I314 PolarHBondContact O-N 3.41Å
258T93.3Very high81.1Confident6 Ų663.9 Ų63.94%0.03733%0.33CS..  trans-150.1131.7168-176.10000109.8D260 K263 V267 Y285 K312 L313T258-D260 PolarHBondContact OG1-N 3.17Å; T258-K263 HydrophobicContact CG2-CB 4.07Å; T258-V267 HydrophobicContact CG2-CG2 4.22Å; T258-Y285 HydrophobicContact CG2-CE2 4.31Å; T258-K312 WeakPolarHBondContact CA-O 3.33Å; T258-K312 WeakPolarHBondContact CB-O 3.03Å; T258-K312 PolarHBondContact OG1-O 2.84Å; T258-L313 HydrophobicContact CG2-CD1 4.21Å
259P89.5Confident83.6Confident77 Ų7760.1 Ų60.150%0.531%0.308SS..SBendtrans-76.6-12.6170.232.5-33.4000111.8F257 S261 F302 K312F257-P259 HydrophobicContact CE1-CB 4.28Å; F257-P259 HydrophobicContact CE1-CG 4.41Å; F257-P259 HydrophobicContact CZ-CB 4.4Å; P259-S261 PolarHBondContact O-N 2.97Å; P259-F302 HydrophobicContact CG-CD1 4.26Å; P259-F302 HydrophobicContact CG-CE1 3.96Å; P259-K312 VanDerWaalsContact CD-O 3.3Å; P259-K312 WeakPolarHBondContact CD-O 3.46Å
260D87.8Confident85.7Confident47 Ų4756.6 Ų56.625%0.25128%0.283SS..  trans-91.8105.3-178.3-175.7-7.7000110.6T258 K262 K263T258-D260 PolarHBondContact OG1-N 3.17Å; D260-K262 PolarHBondContact O-N 3.05Å; D260-K262 VanDerWaalsContact OD1-CB 3.29Å; D260-K262 WeakPolarHBondContact OD1-CB 3.4Å; D260-K262 PolarHBondContact OD1-N 2.96Å; D260-K263 HydrophobicContact CB-CB 4.28Å; D260-K263 HydrophobicContact CB-CD 3.99Å; D260-K263 HydrophobicContact CB-CG 3.98Å; D260-K263 WeakPolarHBondContact O-CB 3.48Å; D260-K263 PolarHBondContact O-N 3.31Å; D260-K263 IonicContact OD2-NZ 3.02Å; D260-K263 PolarHBondContact OD2-NZ 2.5Å
261S85.3Confident87.3Confident103 Ų10357 Ų5772%0.7229%0.285SS*.G310 helixtrans-53.1-28.8177.562.60000114P259 K263 K264P259-S261 PolarHBondContact O-N 2.97Å; S261-K263 VanDerWaalsContact C-N 3.29Å; S261-K263 PolarHBondContact O-N 2.9Å; S261-K264 WeakPolarHBondContact O-CB 3.09Å; S261-K264 PolarHBondContact O-N 3.37Å
262K85.4Confident88.4Confident174 Ų17463 Ų6376%0.75731%0.308SS*.G310 helixtrans-70.1-27.7178.3-59.5178.6-179.4172.90112D260 K264D260-K262 PolarHBondContact O-N 3.05Å; D260-K262 VanDerWaalsContact OD1-CB 3.29Å; D260-K262 WeakPolarHBondContact OD1-CB 3.4Å; D260-K262 PolarHBondContact OD1-N 2.96Å; K262-K264 VanDerWaalsContact C-N 3.28Å; K262-K264 PolarHBondContact O-N 2.94Å
263K86.8Confident88.9Confident8 Ų856.5 Ų56.54%0.03528%0.279CS..G310 helixtrans-79.5-7.3179.5-66.4-175.4177.994.90113.1T258 D260 S261 K265 I266 V267 K312 L313 S338T258-K263 HydrophobicContact CG2-CB 4.07Å; D260-K263 HydrophobicContact CB-CB 4.28Å; D260-K263 HydrophobicContact CB-CD 3.99Å; D260-K263 HydrophobicContact CB-CG 3.98Å; D260-K263 WeakPolarHBondContact O-CB 3.48Å; D260-K263 PolarHBondContact O-N 3.31Å; D260-K263 IonicContact OD2-NZ 3.02Å; D260-K263 PolarHBondContact OD2-NZ 2.5Å; S261-K263 VanDerWaalsContact C-N 3.29Å; S261-K263 PolarHBondContact O-N 2.9Å; K263-K265 VanDerWaalsContact C-N 3.26Å; K263-K265 PolarHBondContact O-N 2.7Å; K263-I266 HydrophobicContact CB-CD1 4.48Å; K263-I266 HydrophobicContact CG-CD1 4.39Å; K263-I266 WeakPolarHBondContact O-CA 3.28Å; K263-I266 VanDerWaalsContact O-CB 3.27Å; K263-I266 WeakPolarHBondContact O-CB 3.49Å; K263-I266 PolarHBondContact O-N 3.16Å; K263-V267 PolarHBondContact O-N 3.39Å; K263-K312 HydrophobicContact CD-CB 3.96Å; K263-K312 VanDerWaalsContact NZ-CB 3.25Å; K263-L313 HydrophobicContact CD-CB 4.08Å; K263-S338 WeakPolarHBondContact CD-O 3.29Å; K263-S338 WeakPolarHBondContact CE-O 3.17Å
264K84.7Confident88.8Confident108 Ų10853.5 Ų53.547%0.4727%0.265SS..Hα-helixtrans-56-36.7176-171.7173.5-179.5175.80113.4S261 K262 I266 V267 D268S261-K264 WeakPolarHBondContact O-CB 3.09Å; S261-K264 PolarHBondContact O-N 3.37Å; K262-K264 VanDerWaalsContact C-N 3.28Å; K262-K264 PolarHBondContact O-N 2.94Å; K264-I266 PolarHBondContact O-N 2.93Å; K264-V267 WeakPolarHBondContact O-CA 3.47Å; K264-V267 VanDerWaalsContact O-CB 3.26Å; K264-V267 WeakPolarHBondContact O-CB 3.49Å; K264-V267 PolarHBondContact O-N 2.96Å; K264-D268 PolarHBondContact O-N 2.65Å; K264-D268 VanDerWaalsContact O-N 3.16Å
265K86.6Confident88.2Confident174 Ų17458 Ų5876%0.75730%0.296SS*.Hα-helixtrans-60.3-29.2175-65.9-177.9-179.8179.40113K263 F269K263-K265 VanDerWaalsContact C-N 3.26Å; K263-K265 PolarHBondContact O-N 2.7Å; K265-F269 PolarHBondContact O-N 2.71Å
266I88.5Confident87.5Confident15 Ų1559.2 Ų59.28%0.07731%0.305CS..Hα-helixtrans-76.8-33.6178.2-50-178.8000109.9K263 K264 D268 F269 L270 L313 H335 S338K263-I266 HydrophobicContact CB-CD1 4.48Å; K263-I266 HydrophobicContact CG-CD1 4.39Å; K263-I266 WeakPolarHBondContact O-CA 3.28Å; K263-I266 VanDerWaalsContact O-CB 3.27Å; K263-I266 WeakPolarHBondContact O-CB 3.49Å; K263-I266 PolarHBondContact O-N 3.16Å; K264-I266 PolarHBondContact O-N 2.93Å; I266-D268 VanDerWaalsContact C-N 3.34Å; I266-F269 WeakPolarHBondContact O-CB 3.38Å; I266-F269 PolarHBondContact O-N 2.64Å; I266-L270 VanDerWaalsContact O-CG 3.32Å; I266-L270 WeakPolarHBondContact O-CG 3.44Å; I266-L270 PolarHBondContact O-N 2.92Å; I266-L313 HydrophobicContact CB-CD2 3.82Å; I266-L313 HydrophobicContact CG2-CD2 3.46Å; I266-L313 VanDerWaalsContact CG2-CD2 3.46Å; I266-H335 HydrophobicContact CD1-CB 4.23Å; I266-H335 HydrophobicContact CG1-CB 4.35Å; I266-S338 VanDerWaalsContact CD1-CA 3.48Å
267V90Very high85.8Confident1 Ų169.3 Ų69.31%0.00635%0.349CS..Hα-helixtrans-59.2-47.3170.7-176.90000110.3T258 K263 K264 F269 L270 I271 Y285 L313T258-V267 HydrophobicContact CG2-CG2 4.22Å; K263-V267 PolarHBondContact O-N 3.39Å; K264-V267 WeakPolarHBondContact O-CA 3.47Å; K264-V267 VanDerWaalsContact O-CB 3.26Å; K264-V267 WeakPolarHBondContact O-CB 3.49Å; K264-V267 PolarHBondContact O-N 2.96Å; V267-F269 VanDerWaalsContact C-N 3.28Å; V267-F269 PolarHBondContact O-N 3.35Å; V267-L270 PolarHBondContact O-N 3.09Å; V267-L270 VanDerWaalsContact O-N 3.09Å; V267-I271 HydrophobicContact CG1-CD1 3.94Å; V267-I271 HydrophobicContact CG1-CG1 4.42Å; V267-I271 WeakPolarHBondContact O-CG1 3.46Å; V267-I271 PolarHBondContact O-N 3.22Å; V267-Y285 HydrophobicContact CB-CD2 4.38Å; V267-Y285 HydrophobicContact CG1-CD2 3.64Å; V267-Y285 HydrophobicContact CG1-CE2 4.44Å; V267-Y285 HydrophobicContact CG1-CG 3.86Å; V267-Y285 HydrophobicContact CG2-CD2 4Å; V267-Y285 HydrophobicContact CG2-CE2 4.06Å; V267-L313 HydrophobicContact CG2-CD1 3.74Å
268D90.1Very high84.6Confident91 Ų9176.6 Ų76.649%0.48738%0.383SS..Hα-helixtrans-60-39.8177.7-61-32.1000111.8K264 I266 I271 K272K264-D268 PolarHBondContact O-N 2.65Å; K264-D268 VanDerWaalsContact O-N 3.16Å; I266-D268 VanDerWaalsContact C-N 3.34Å; D268-I271 PolarHBondContact O-N 3.05Å; D268-K272 WeakPolarHBondContact O-CB 3.42Å; D268-K272 PolarHBondContact O-N 3.04Å
269F90.2Very high83.3Confident46 Ų4676.8 Ų76.820%0.20239%0.385CS..Hα-helixtrans-59.7-49.1172.1162.6-97.5000111.8K265 I266 V267 I271 K272 E273 F330 R333K265-F269 PolarHBondContact O-N 2.71Å; I266-F269 WeakPolarHBondContact O-CB 3.38Å; I266-F269 PolarHBondContact O-N 2.64Å; V267-F269 VanDerWaalsContact C-N 3.28Å; V267-F269 PolarHBondContact O-N 3.35Å; F269-I271 VanDerWaalsContact C-N 3.35Å; F269-I271 PolarHBondContact O-N 3.46Å; F269-K272 WeakPolarHBondContact O-CB 3.14Å; F269-K272 PolarHBondContact O-N 3.29Å; F269-E273 HydrophobicContact CD2-CG 4.02Å; F269-E273 HydrophobicContact CE1-CG 4.06Å; F269-E273 HydrophobicContact CE2-CG 3.46Å; F269-E273 VanDerWaalsContact CE2-CG 3.46Å; F269-E273 HydrophobicContact CZ-CG 3.48Å; F269-E273 VanDerWaalsContact CZ-CG 3.48Å; F269-E273 WeakPolarHBondContact O-CG 3.28Å; F269-E273 PolarHBondContact O-N 3.07Å; F269-F330 HydrophobicContact CE1-CD2 4.23Å; F269-F330 HydrophobicContact CZ-CB 4.47Å; F269-F330 HydrophobicContact CZ-CD2 4.47Å; F269-R333 HydrophobicContact CE2-CB 3.84Å; F269-R333 HydrophobicContact CZ-CB 3.61Å; F269-R333 WeakPolarHBondContact CZ-O 3.43Å
270L89.9Confident82.5Confident1 Ų182.1 Ų82.11%0.00540%0.4CS..Hα-helixtrans-62.9-40.9-180-67.3170.1000111.7I266 V267 K272 E273 C274 I283 L313 V315 F330 L340I266-L270 VanDerWaalsContact O-CG 3.32Å; I266-L270 WeakPolarHBondContact O-CG 3.44Å; I266-L270 PolarHBondContact O-N 2.92Å; V267-L270 PolarHBondContact O-N 3.09Å; V267-L270 VanDerWaalsContact O-N 3.09Å; L270-K272 VanDerWaalsContact C-N 3.31Å; L270-K272 PolarHBondContact O-N 2.91Å; L270-E273 PolarHBondContact O-N 2.7Å; L270-C274 WeakPolarHBondContact O-CB 3.28Å; L270-C274 PolarHBondContact O-N 2.95Å; L270-C274 PolarHBondContact O-SG 3.38Å; L270-I283 HydrophobicContact CB-CD1 3.39Å; L270-L313 HydrophobicContact CD1-CD2 4.04Å; L270-V315 HydrophobicContact CD1-CG2 4.04Å; L270-F330 HydrophobicContact CD2-CD2 4.46Å; L270-F330 HydrophobicContact CD2-CE2 3.74Å; L270-F330 HydrophobicContact CD2-CZ 3.96Å; L270-L340 HydrophobicContact CD1-CD1 3.92Å; L270-L340 HydrophobicContact CD2-CD2 4.19Å
271I89.6Confident82.2Confident57 Ų5781.6 Ų81.629%0.29240%0.396SS..Hα-helixtrans-58.7-45.5175.1-70.3166000109.9V267 D268 F269 C274 S275 I283V267-I271 HydrophobicContact CG1-CD1 3.94Å; V267-I271 HydrophobicContact CG1-CG1 4.42Å; V267-I271 WeakPolarHBondContact O-CG1 3.46Å; V267-I271 PolarHBondContact O-N 3.22Å; D268-I271 PolarHBondContact O-N 3.05Å; F269-I271 VanDerWaalsContact C-N 3.35Å; F269-I271 PolarHBondContact O-N 3.46Å; I271-C274 PolarHBondContact O-N 3.32Å; I271-S275 WeakPolarHBondContact O-CB 3.37Å; I271-S275 PolarHBondContact O-N 2.93Å; I271-S275 PolarHBondContact O-OG 3.36Å; I271-I283 HydrophobicContact CG1-CB 3.81Å; I271-I283 HydrophobicContact CG1-CG2 3.79Å
272K88Confident82.2Confident152 Ų15282.5 Ų82.566%0.66139%0.389SS*.Hα-helixtrans-63.1-47.3178.7-177.4-175.5175.2-1730112.1D268 F269 L270 C274 S275 T276D268-K272 WeakPolarHBondContact O-CB 3.42Å; D268-K272 PolarHBondContact O-N 3.04Å; F269-K272 WeakPolarHBondContact O-CB 3.14Å; F269-K272 PolarHBondContact O-N 3.29Å; L270-K272 VanDerWaalsContact C-N 3.31Å; L270-K272 PolarHBondContact O-N 2.91Å; K272-C274 VanDerWaalsContact C-N 3.33Å; K272-C274 PolarHBondContact O-N 3.27Å; K272-S275 PolarHBondContact O-N 2.95Å; K272-T276 PolarHBondContact O-N 3.38Å
273E86.2Confident82.4Confident22 Ų2275 Ų7510%0.10336%0.356CS..Hα-helixtrans-63-40.2178.4-69.8-60.3139.400111.5F269 L270 S275 T276 F330 R333F269-E273 HydrophobicContact CD2-CG 4.02Å; F269-E273 HydrophobicContact CE1-CG 4.06Å; F269-E273 HydrophobicContact CE2-CG 3.46Å; F269-E273 VanDerWaalsContact CE2-CG 3.46Å; F269-E273 HydrophobicContact CZ-CG 3.48Å; F269-E273 VanDerWaalsContact CZ-CG 3.48Å; F269-E273 WeakPolarHBondContact O-CG 3.28Å; F269-E273 PolarHBondContact O-N 3.07Å; L270-E273 PolarHBondContact O-N 2.7Å; E273-S275 VanDerWaalsContact C-N 3.28Å; E273-S275 PolarHBondContact O-N 3.23Å; E273-T276 WeakPolarHBondContact O-CB 3.32Å; E273-T276 WeakPolarHBondContact O-CG2 3.38Å; E273-T276 PolarHBondContact O-N 2.88Å; E273-T276 PolarHBondContact O-OG1 3.26Å; E273-F330 HydrophobicContact CG-CB 4.37Å; E273-R333 IonicContact OE1-NH1 3.93Å; E273-R333 PolarHBondContact OE1-NH1 3.31Å; E273-R333 IonicContact OE2-CZ 2.64Å; E273-R333 IonicContact OE2-NE 2.81Å; E273-R333 IonicContact OE2-NH1 3.2Å; E273-R333 PolarHBondContact OE2-NH1 3.08Å; E273-R333 IonicContact OE2-NH2 2.81Å; E273-R333 PolarHBondContact OE2-NH2 3.31Å
274C83.7Confident82.6Confident3 Ų376.7 Ų76.72%0.0237%0.37CS..Hα-helixtrans-70.4-23.3176.1-67.90000113.2L270 I271 K272 T276 K281 I283L270-C274 WeakPolarHBondContact O-CB 3.28Å; L270-C274 PolarHBondContact O-N 2.95Å; L270-C274 PolarHBondContact O-SG 3.38Å; I271-C274 PolarHBondContact O-N 3.32Å; K272-C274 VanDerWaalsContact C-N 3.33Å; K272-C274 PolarHBondContact O-N 3.27Å; C274-T276 VanDerWaalsContact C-N 3.27Å; C274-T276 PolarHBondContact O-N 3.09Å; C274-K281 CarbonylContact C-O 3.52Å; C274-K281 WeakPolarHBondContact CB-O 3.4Å; C274-I283 HydrophobicContact CB-CD1 4.32Å; C274-I283 HydrophobicContact CB-CG1 4.11Å; C274-I283 VanDerWaalsContact SG-CD1 3.54Å
275S78.9Confident82.9Confident94 Ų9475.2 Ų75.266%0.65736%0.361SS*.THydrogen-bonded Turntrans-81.5-5176-57.60000113.4I271 K272 E273I271-S275 WeakPolarHBondContact O-CB 3.37Å; I271-S275 PolarHBondContact O-N 2.93Å; I271-S275 PolarHBondContact O-OG 3.36Å; K272-S275 PolarHBondContact O-N 2.95Å; E273-S275 VanDerWaalsContact C-N 3.28Å; E273-S275 PolarHBondContact O-N 3.23Å
276T74.9Confident83Confident52 Ų5267.2 Ų67.232%0.31933%0.327SS..SBendtrans-69.5155.1176.665.70000111.1K272 E273 C274 E278 C279K272-T276 PolarHBondContact O-N 3.38Å; E273-T276 WeakPolarHBondContact O-CB 3.32Å; E273-T276 WeakPolarHBondContact O-CG2 3.38Å; E273-T276 PolarHBondContact O-N 2.88Å; E273-T276 PolarHBondContact O-OG1 3.26Å; C274-T276 VanDerWaalsContact C-N 3.27Å; C274-T276 PolarHBondContact O-N 3.09Å; T276-E278 PolarHBondContact O-N 2.96Å; T276-C279 PolarHBondContact O-N 3.48Å; T276-C279 VanDerWaalsContact O-O 3.11Å
277K59.2Low82.8Confident211 Ų21170.3 Ų70.392%0.91735%0.351SS*.THydrogen-bonded Turntrans-58.3-19.9-179.3-71.7-174.8176.9-179.80114
278E67.3Low82.5Confident166 Ų16673 Ų7378%0.77637%0.367SS*.THydrogen-bonded Turntrans-82.9-35.4-177.4-65.2179.6173.700112.2T276T276-E278 PolarHBondContact O-N 2.96Å
279C66.9Low82.1Confident11 Ų1172 Ų727%0.07436%0.361CS..  trans-99.9111.3-179.5-159.20000109.7T276 K281T276-C279 PolarHBondContact O-N 3.48Å; T276-C279 VanDerWaalsContact O-O 3.11Å; C279-K281 PolarHBondContact O-N 3.28Å
280K72.5Confident81.5Confident188 Ų18873.6 Ų73.682%0.81738%0.378SS*.  trans-87.230.9180-63.8-178.5-178.61750112.9
281K80.8Confident81Confident36 Ų3675.1 Ų75.116%0.15739%0.387CS..  trans-114.2148.9-174.6-61.1-167.7-178.6-179.10110.3K252 L254 C274 C279 F326K252-K281 CarbonylContact O-C 3.46Å; K252-K281 WeakPolarHBondContact O-CA 3.5Å; L254-K281 HydrophobicContact CD1-CB 4.18Å; L254-K281 HydrophobicContact CD1-CD 3.67Å; L254-K281 HydrophobicContact CD2-CD 4.04Å; L254-K281 HydrophobicContact CG-CB 4.31Å; L254-K281 HydrophobicContact CG-CD 3.98Å; C274-K281 CarbonylContact C-O 3.52Å; C274-K281 WeakPolarHBondContact CB-O 3.4Å; C279-K281 PolarHBondContact O-N 3.28Å; K281-F326 HydrophobicContact CD-CD2 4Å; K281-F326 HydrophobicContact CD-CE2 4.08Å
282E86.4Confident80.5Confident123 Ų12373 Ų7358%0.57538%0.376SS*.EExtended strand (participates in β ladder)trans-111.5133.4175.6-175.6178.1170.500108.6K252 I253 L254K252-E282 PolarHBondContact O-N 2.97Å; I253-E282 CarbonylContact C-O 3.53Å; I253-E282 WeakPolarHBondContact CA-O 3.43Å; L254-E282 PolarHBondContact N-O 3.33Å
283I89.5Confident79.9Confident15 Ų1566.4 Ų66.48%0.07735%0.348CS..EExtended strand (participates in β ladder)trans-97.8118.6173.1-68.1-171.9000109L254 C256 L270 I271 C274L254-I283 HydrophobicContact CB-CG1 4.27Å; L254-I283 HydrophobicContact CD1-CG1 4.41Å; L254-I283 CarbonylContact O-C 3.54Å; L254-I283 WeakPolarHBondContact O-CA 3.48Å; C256-I283 HydrophobicContact CB-CG2 3.62Å; L270-I283 HydrophobicContact CB-CD1 3.39Å; I271-I283 HydrophobicContact CG1-CB 3.81Å; I271-I283 HydrophobicContact CG1-CG2 3.79Å; C274-I283 HydrophobicContact CB-CD1 4.32Å; C274-I283 HydrophobicContact CB-CG1 4.11Å; C274-I283 VanDerWaalsContact SG-CD1 3.54Å
284S90.3Very high79.1Confident45 Ų4571.2 Ų71.232%0.31537%0.374SS..EExtended strand (participates in β ladder)trans-97.1108170.1-176.80000109L254 H255 C256L254-S284 PolarHBondContact O-N 3.06Å; H255-S284 CarbonylContact C-O 3.54Å; H255-S284 WeakPolarHBondContact CA-O 3.25Å; C256-S284 PolarHBondContact N-O 3.36Å
285Y91.6Very high78.4Confident76 Ų7672.8 Ų72.830%0.29839%0.39SS..EExtended strand (participates in β ladder)trans-82.4123.3175.6174.8-110.7000110.6C256 T258 V267C256-Y285 WeakPolarHBondContact O-CA 2.82Å; C256-Y285 WeakPolarHBondContact O-CD2 3.21Å; T258-Y285 HydrophobicContact CG2-CE2 4.31Å; V267-Y285 HydrophobicContact CB-CD2 4.38Å; V267-Y285 HydrophobicContact CG1-CD2 3.64Å; V267-Y285 HydrophobicContact CG1-CE2 4.44Å; V267-Y285 HydrophobicContact CG1-CG 3.86Å; V267-Y285 HydrophobicContact CG2-CD2 4Å; V267-Y285 HydrophobicContact CG2-CE2 4.06Å
286C87.9Confident78.3Confident6 Ų668.8 Ų68.84%0.04136%0.361CS..  trans-97.9127.7175.7-65.80000109.2C256 F257 D291 L292C256-C286 PolarHBondContact O-N 3.45Å; F257-C286 WeakPolarHBondContact CD2-O 3.2Å; C286-D291 HydrophobicContact CB-CB 3.86Å; C286-D291 PolarHBondContact SG-O 3.35Å; C286-L292 HydrophobicContact CB-CD2 3.48Å; C286-L292 VanDerWaalsContact CB-CD2 3.48Å; C286-L292 HydrophobicContact CB-CG 3.7Å; C286-L292 VanDerWaalsContact SG-CD2 3.51Å
287S84.4Confident78.7Confident81 Ų8168.2 Ų68.257%0.56636%0.356SS*.SBendtrans-78.5-29179.337.80000113.5D291S287-D291 PolarHBondContact OG-OD2 3.16Å; S287-D291 VanDerWaalsContact OG-OD2 3.06Å
288T85.2Confident80Confident58 Ų5858.7 Ų58.736%0.35632%0.315SS..SBendtrans-130.2159-177.269.20000110.7S290 D291T288-S290 PolarHBondContact O-N 3.31Å; T288-S290 PolarHBondContact OG1-OG 3.14Å; T288-D291 PolarHBondContact N-OD2 3.04Å; T288-D291 PolarHBondContact O-N 3.2Å; T288-D291 VanDerWaalsContact O-N 3.14Å; T288-D291 PolarHBondContact OG1-N 3.13Å; T288-D291 PolarHBondContact OG1-OD1 2.72Å; T288-D291 PolarHBondContact OG1-OD2 3.46Å
289L80.7Confident80.9Confident68 Ų6855.4 Ų55.436%0.35631%0.306SS..G310 helixtrans-61.7-31.9176.2-67.1175.8000112.1F257 D291 L292 W298 F302F257-L289 HydrophobicContact CD1-CD2 4.05Å; F257-L289 HydrophobicContact CE1-CD2 3.52Å; F257-L289 HydrophobicContact CE1-CG 4.36Å; F257-L289 HydrophobicContact CE2-CD2 4.16Å; F257-L289 HydrophobicContact CE2-CG 4.45Å; F257-L289 HydrophobicContact CZ-CD2 3.59Å; F257-L289 HydrophobicContact CZ-CG 3.96Å; L289-D291 PolarHBondContact O-N 3.27Å; L289-L292 HydrophobicContact CD2-CD1 3.9Å; L289-L292 WeakPolarHBondContact O-CB 3.41Å; L289-L292 PolarHBondContact O-N 3.18Å; L289-W298 HydrophobicContact CD2-CB 4.02Å; L289-F302 HydrophobicContact CD2-CD2 3.62Å; L289-F302 HydrophobicContact CD2-CE2 3.87Å
290S76.8Confident81.8Confident80 Ų8056.3 Ų56.356%0.55931%0.31SS*.G310 helixtrans-66.8-20.8176.537.60000114.1T288 L292T288-S290 PolarHBondContact O-N 3.31Å; T288-S290 PolarHBondContact OG1-OG 3.14Å; S290-L292 VanDerWaalsContact C-N 3.27Å
291D79.9Confident82.8Confident34 Ų3447.4 Ų47.418%0.18227%0.271CS..G310 helixtrans-82.9-7.3177.6-56.9-41.7000112.3C286 S287 T288 L289C286-D291 HydrophobicContact CB-CB 3.86Å; C286-D291 PolarHBondContact SG-O 3.35Å; S287-D291 PolarHBondContact OG-OD2 3.16Å; S287-D291 VanDerWaalsContact OG-OD2 3.06Å; T288-D291 PolarHBondContact N-OD2 3.04Å; T288-D291 PolarHBondContact O-N 3.2Å; T288-D291 VanDerWaalsContact O-N 3.14Å; T288-D291 PolarHBondContact OG1-N 3.13Å; T288-D291 PolarHBondContact OG1-OD1 2.72Å; T288-D291 PolarHBondContact OG1-OD2 3.46Å; L289-D291 PolarHBondContact O-N 3.27Å
292L78.7Confident83.4Confident13 Ų1347.5 Ų47.57%0.06827%0.272CS..SBendtrans-88.9148.8-173.8-70161.6000112.6H255 F257 C286 L289 S290 W298H255-L292 HydrophobicContact CB-CD2 4.26Å; F257-L292 HydrophobicContact CB-CD1 3.69Å; F257-L292 HydrophobicContact CB-CD2 3.94Å; F257-L292 HydrophobicContact CB-CG 4.34Å; F257-L292 HydrophobicContact CD1-CD1 4.23Å; F257-L292 HydrophobicContact CD2-CD1 3.87Å; F257-L292 HydrophobicContact CG-CD1 3.67Å; C286-L292 HydrophobicContact CB-CD2 3.48Å; C286-L292 VanDerWaalsContact CB-CD2 3.48Å; C286-L292 HydrophobicContact CB-CG 3.7Å; C286-L292 VanDerWaalsContact SG-CD2 3.51Å; L289-L292 HydrophobicContact CD2-CD1 3.9Å; L289-L292 WeakPolarHBondContact O-CB 3.41Å; L289-L292 PolarHBondContact O-N 3.18Å; S290-L292 VanDerWaalsContact C-N 3.27Å; L292-W298 HydrophobicContact CB-CD2 3.95Å; L292-W298 HydrophobicContact CB-CG 4.01Å; L292-W298 HydrophobicContact CB-CZ2 4.08Å; L292-W298 HydrophobicContact CD1-CB 4.32Å; L292-W298 HydrophobicContact CD1-CD2 3.45Å; L292-W298 VanDerWaalsContact CD1-CD2 3.45Å; L292-W298 HydrophobicContact CD1-CE3 3.61Å; L292-W298 HydrophobicContact CD1-CG 3.78Å; L292-W298 HydrophobicContact CD1-CH2 4.37Å; L292-W298 HydrophobicContact CD1-CZ2 4.31Å; L292-W298 HydrophobicContact CD1-CZ3 4.06Å; L292-W298 HydrophobicContact CD2-CD2 4.35Å; L292-W298 HydrophobicContact CD2-CH2 3.79Å; L292-W298 HydrophobicContact CD2-CZ2 3.66Å; L292-W298 HydrophobicContact CD2-CZ3 4.25Å; L292-W298 HydrophobicContact CG-CD2 4.12Å; L292-W298 HydrophobicContact CG-CG 4.48Å; L292-W298 HydrophobicContact CG-CZ2 4.24Å
293P75.7Confident83.7Confident13 Ų1345.4 Ų45.48%0.08427%0.271CS..  trans-66146.6178.1-21.933.7000113.7T242 H255 G295 W298 W316T242-P293 HydrophobicContact CG2-CB 3.93Å; T242-P293 HydrophobicContact CG2-CG 4.01Å; H255-P293 HydrophobicContact CB-CG 4.24Å; H255-P293 VanDerWaalsContact CD2-CG 3.43Å; H255-P293 WeakPolarHBondContact CD2-CG 3.46Å; H255-P293 WeakPolarHBondContact CE1-CG 2.76Å; H255-P293 VanDerWaalsContact CG-CG 3.43Å; H255-P293 WeakPolarHBondContact ND1-CG 3.39Å; H255-P293 WeakPolarHBondContact NE2-CG 3.49Å; P293-G295 PolarHBondContact O-N 3.49Å; P293-G295 VanDerWaalsContact O-N 3.15Å; P293-W298 PolarHBondContact O-NE1 2.89Å; P293-W316 HydrophobicContact CB-CE3 4.41Å; P293-W316 HydrophobicContact CB-CH2 4.09Å; P293-W316 HydrophobicContact CB-CZ3 3.58Å; P293-W316 HydrophobicContact CG-CE3 4.3Å; P293-W316 HydrophobicContact CG-CZ3 3.76Å
294L70.4Confident83.9Confident123 Ų12345.3 Ų45.364%0.64427%0.271SS*.THydrogen-bonded Turntrans-70.2-7.7-178.7-61.3174.6000115.2F296L294-F296 PolarHBondContact O-N 3.09Å; L294-F296 VanDerWaalsContact O-N 3.12Å
295G67.7Low84.2Confident35 Ų3543.7 Ų43.736%0.36126%0.259SS..THydrogen-bonded Turntrans-70-5-177.600000114.8P293 W316 N345P293-G295 PolarHBondContact O-N 3.49Å; P293-G295 VanDerWaalsContact O-N 3.15Å; G295-W316 VanDerWaalsContact C-CZ2 3.44Å; G295-N345 PolarHBondContact O-ND2 2.96Å; G295-N345 PolarHBondContact O-OD1 3.44Å
296F77.7Confident84.5Confident10 Ų1044.6 Ų44.64%0.04427%0.265CS..SBendtrans-136.2135.1175.4-172.5-105.7000108.6L294 W298 Y301 I314 W316 A523 I526L294-F296 PolarHBondContact O-N 3.09Å; L294-F296 VanDerWaalsContact O-N 3.12Å; F296-W298 VanDerWaalsContact C-N 3.31Å; F296-W298 HydrophobicContact CB-CD2 4.47Å; F296-W298 HydrophobicContact CB-CZ2 4.19Å; F296-W298 AromaticContact CD1-CD2 3.58Å; F296-W298 HydrophobicContact CD1-CD2 3.58Å; F296-W298 AromaticContact CD1-CE2 3.84Å; F296-W298 AromaticContact CD1-CE3 3.63Å; F296-W298 HydrophobicContact CD1-CE3 3.63Å; F296-W298 HydrophobicContact CD1-CG 4.08Å; F296-W298 HydrophobicContact CD1-CH2 4.31Å; F296-W298 HydrophobicContact CD1-CZ2 4.21Å; F296-W298 HydrophobicContact CD1-CZ3 4.01Å; F296-W298 HydrophobicContact CE1-CD2 4.37Å; F296-W298 AromaticContact CE1-CE3 4Å; F296-W298 HydrophobicContact CE1-CE3 4Å; F296-W298 HydrophobicContact CE1-CZ3 4.3Å; F296-W298 PolarHBondContact O-N 2.78Å; F296-W298 PolarHBondContact O-NE1 3.32Å; F296-Y301 HydrophobicContact CE1-CD1 4.44Å; F296-Y301 AromaticContact CE1-CD2 3.91Å; F296-Y301 HydrophobicContact CE1-CD2 3.91Å; F296-Y301 AromaticContact CE1-CG 3.76Å; F296-Y301 HydrophobicContact CE1-CG 3.76Å; F296-Y301 AromaticContact CZ-CD2 3.61Å; F296-Y301 HydrophobicContact CZ-CD2 3.61Å; F296-Y301 HydrophobicContact CZ-CE2 4.27Å; F296-Y301 AromaticContact CZ-CG 3.97Å; F296-Y301 HydrophobicContact CZ-CG 3.97Å; F296-I314 HydrophobicContact CD1-CD1 4.44Å; F296-I314 HydrophobicContact CE1-CD1 3.59Å; F296-I314 HydrophobicContact CZ-CD1 3.81Å; F296-W316 HydrophobicContact CB-CD2 4.08Å; F296-W316 HydrophobicContact CB-CG 4.09Å; F296-W316 HydrophobicContact CB-CZ2 4.3Å; F296-W316 AromaticContact CD2-CD1 3.73Å; F296-W316 AromaticContact CD2-NE1 3.87Å; F296-W316 AromaticContact CG-CD1 3.84Å; F296-W316 HydrophobicContact CG-CG 4.36Å; F296-A523 HydrophobicContact CD1-CB 4.38Å; F296-A523 HydrophobicContact CD2-CB 4.26Å; F296-A523 HydrophobicContact CE1-CB 3.9Å; F296-A523 HydrophobicContact CE2-CB 3.75Å; F296-A523 HydrophobicContact CZ-CB 3.56Å; F296-I526 HydrophobicContact CE2-CD1 4.16Å
297N82.1Confident84.9Confident40 Ų4044.7 Ų44.721%0.21427%0.266CS..  trans-80.383.1179-168.8-29.3000110N68 T299 D300 Y301 A523N68-N297 PolarHBondContact OD1-ND2 3.43Å; N297-T299 VanDerWaalsContact C-N 3.31Å; N297-T299 PolarHBondContact O-N 3.2Å; N297-D300 HydrophobicContact CB-CB 4.1Å; N297-D300 PolarHBondContact O-N 3.16Å; N297-D300 WeakPolarHBondContact OD1-CB 3.35Å; N297-D300 PolarHBondContact OD1-N 3.27Å; N297-Y301 PolarHBondContact O-N 3Å; N297-A523 HydrophobicContact CB-CB 4.11Å; N297-A523 WeakPolarHBondContact O-CB 3.24Å
298W86.8Confident85.3Confident12 Ų1246.7 Ų46.75%0.04527%0.266CS..Hα-helixtrans-61.8-37.7-176.9-5895.9000113.1F257 L289 L292 P293 F296 Y301 F302 I314 W316F257-W298 HydrophobicContact CB-CZ3 4.49Å; L289-W298 HydrophobicContact CD2-CB 4.02Å; L292-W298 HydrophobicContact CB-CD2 3.95Å; L292-W298 HydrophobicContact CB-CG 4.01Å; L292-W298 HydrophobicContact CB-CZ2 4.08Å; L292-W298 HydrophobicContact CD1-CB 4.32Å; L292-W298 HydrophobicContact CD1-CD2 3.45Å; L292-W298 VanDerWaalsContact CD1-CD2 3.45Å; L292-W298 HydrophobicContact CD1-CE3 3.61Å; L292-W298 HydrophobicContact CD1-CG 3.78Å; L292-W298 HydrophobicContact CD1-CH2 4.37Å; L292-W298 HydrophobicContact CD1-CZ2 4.31Å; L292-W298 HydrophobicContact CD1-CZ3 4.06Å; L292-W298 HydrophobicContact CD2-CD2 4.35Å; L292-W298 HydrophobicContact CD2-CH2 3.79Å; L292-W298 HydrophobicContact CD2-CZ2 3.66Å; L292-W298 HydrophobicContact CD2-CZ3 4.25Å; L292-W298 HydrophobicContact CG-CD2 4.12Å; L292-W298 HydrophobicContact CG-CG 4.48Å; L292-W298 HydrophobicContact CG-CZ2 4.24Å; P293-W298 PolarHBondContact O-NE1 2.89Å; F296-W298 VanDerWaalsContact C-N 3.31Å; F296-W298 HydrophobicContact CB-CD2 4.47Å; F296-W298 HydrophobicContact CB-CZ2 4.19Å; F296-W298 AromaticContact CD1-CD2 3.58Å; F296-W298 HydrophobicContact CD1-CD2 3.58Å; F296-W298 AromaticContact CD1-CE2 3.84Å; F296-W298 AromaticContact CD1-CE3 3.63Å; F296-W298 HydrophobicContact CD1-CE3 3.63Å; F296-W298 HydrophobicContact CD1-CG 4.08Å; F296-W298 HydrophobicContact CD1-CH2 4.31Å; F296-W298 HydrophobicContact CD1-CZ2 4.21Å; F296-W298 HydrophobicContact CD1-CZ3 4.01Å; F296-W298 HydrophobicContact CE1-CD2 4.37Å; F296-W298 AromaticContact CE1-CE3 4Å; F296-W298 HydrophobicContact CE1-CE3 4Å; F296-W298 HydrophobicContact CE1-CZ3 4.3Å; F296-W298 PolarHBondContact O-N 2.78Å; F296-W298 PolarHBondContact O-NE1 3.32Å; W298-Y301 WeakPolarHBondContact O-CB 3.39Å; W298-Y301 PolarHBondContact O-N 3.23Å; W298-F302 HydrophobicContact CE3-CE2 4.15Å; W298-F302 VanDerWaalsContact O-CD2 3.26Å; W298-F302 WeakPolarHBondContact O-CD2 3.26Å; W298-F302 PolarHBondContact O-N 3.04Å; W298-I314 HydrophobicContact CE3-CD1 4.49Å; W298-I314 HydrophobicContact CE3-CG2 4.3Å; W298-I314 HydrophobicContact CH2-CG2 4.49Å; W298-I314 HydrophobicContact CZ3-CB 4.37Å; W298-I314 HydrophobicContact CZ3-CD1 3.87Å; W298-I314 HydrophobicContact CZ3-CG1 4Å; W298-I314 HydrophobicContact CZ3-CG2 3.54Å; W298-W316 HydrophobicContact CH2-CB 3.45Å; W298-W316 VanDerWaalsContact CH2-CB 3.45Å; W298-W316 HydrophobicContact CH2-CG 4.19Å; W298-W316 HydrophobicContact CZ2-CB 3.79Å; W298-W316 HydrophobicContact CZ2-CD2 4.21Å; W298-W316 HydrophobicContact CZ2-CE3 4.19Å; W298-W316 HydrophobicContact CZ2-CG 4.08Å; W298-W316 HydrophobicContact CZ3-CB 4.45Å
299T86.8Confident85.7Confident97 Ų9747.7 Ų47.760%0.59527%0.267SS*.Hα-helixtrans-62.6-51.1178.4-55.80000110.4N297 Y301 F302 S303N297-T299 VanDerWaalsContact C-N 3.31Å; N297-T299 PolarHBondContact O-N 3.2Å; T299-Y301 VanDerWaalsContact C-N 3.31Å; T299-Y301 PolarHBondContact O-N 2.92Å; T299-F302 PolarHBondContact O-N 2.78Å; T299-S303 WeakPolarHBondContact O-CB 3.34Å; T299-S303 PolarHBondContact O-N 2.78Å; T299-S303 PolarHBondContact O-OG 2.81Å
300D86.3Confident86.4Confident30 Ų3044.7 Ų44.716%0.1625%0.251CS..Hα-helixtrans-65.1-34.7179.7-166.19.2000112N297 S303 T304 S521 K524N297-D300 HydrophobicContact CB-CB 4.1Å; N297-D300 PolarHBondContact O-N 3.16Å; N297-D300 WeakPolarHBondContact OD1-CB 3.35Å; N297-D300 PolarHBondContact OD1-N 3.27Å; D300-S303 WeakPolarHBondContact CA-OG 3.5Å; D300-S303 PolarHBondContact O-OG 2.91Å; D300-T304 VanDerWaalsContact O-CB 3.28Å; D300-T304 WeakPolarHBondContact O-CB 3.32Å; D300-T304 PolarHBondContact O-N 2.81Å; D300-T304 PolarHBondContact O-OG1 3.18Å; D300-T304 PolarHBondContact OD1-OG1 3.4Å; D300-S521 VanDerWaalsContact CG-OG 3.29Å; D300-S521 WeakPolarHBondContact OD2-CB 3.47Å; D300-S521 PolarHBondContact OD2-OG 3.34Å; D300-K524 WeakPolarHBondContact OD2-CB 3.39Å
301Y92.9Very high87.3Confident0 Ų040.9 Ų40.90%022%0.224CC..Hα-helixtrans-58-58.3171.1-174.2-102.1000111.1F296 N297 W298 T299 T304 L305 G311 I314 A523 I526 S527F296-Y301 HydrophobicContact CE1-CD1 4.44Å; F296-Y301 AromaticContact CE1-CD2 3.91Å; F296-Y301 HydrophobicContact CE1-CD2 3.91Å; F296-Y301 AromaticContact CE1-CG 3.76Å; F296-Y301 HydrophobicContact CE1-CG 3.76Å; F296-Y301 AromaticContact CZ-CD2 3.61Å; F296-Y301 HydrophobicContact CZ-CD2 3.61Å; F296-Y301 HydrophobicContact CZ-CE2 4.27Å; F296-Y301 AromaticContact CZ-CG 3.97Å; F296-Y301 HydrophobicContact CZ-CG 3.97Å; N297-Y301 PolarHBondContact O-N 3Å; W298-Y301 WeakPolarHBondContact O-CB 3.39Å; W298-Y301 PolarHBondContact O-N 3.23Å; T299-Y301 VanDerWaalsContact C-N 3.31Å; T299-Y301 PolarHBondContact O-N 2.92Å; Y301-T304 PolarHBondContact O-N 3.19Å; Y301-L305 HydrophobicContact CD1-CD2 4.49Å; Y301-L305 HydrophobicContact CE1-CD2 3.79Å; Y301-L305 WeakPolarHBondContact O-CB 3.47Å; Y301-L305 PolarHBondContact O-N 3.36Å; Y301-L305 VanDerWaalsContact O-N 3.17Å; Y301-G311 VanDerWaalsContact OH-CA 3.23Å; Y301-G311 WeakPolarHBondContact OH-CA 3.47Å; Y301-G311 PolarHBondContact OH-O 3.42Å; Y301-I314 HydrophobicContact CD1-CD1 4.23Å; Y301-I314 HydrophobicContact CE1-CD1 3.93Å; Y301-I314 HydrophobicContact CE2-CD1 4.26Å; Y301-A523 HydrophobicContact CD2-CB 4.43Å; Y301-A523 WeakPolarHBondContact CD2-O 3.38Å; Y301-I526 HydrophobicContact CE2-CB 4.3Å; Y301-I526 HydrophobicContact CE2-CG2 3.9Å; Y301-S527 WeakPolarHBondContact O-CB 3.28Å; Y301-S527 PolarHBondContact O-OG 3.3Å; Y301-S527 VanDerWaalsContact O-OG 3.06Å
302F93.5Very high88.1Confident39 Ų3941.1 Ų41.117%0.17122%0.224CC..Hα-helixtrans-76-28.9-172.3-76.4-66.6000113.8F257 P259 L289 W298 T299 T304 L305 I314F257-F302 HydrophobicContact CD1-CD2 4.31Å; F257-F302 HydrophobicContact CD1-CE1 4.38Å; F257-F302 AromaticContact CD1-CE2 3.29Å; F257-F302 HydrophobicContact CD1-CE2 3.29Å; F257-F302 AromaticContact CD1-CZ 3.36Å; F257-F302 HydrophobicContact CD1-CZ 3.36Å; F257-F302 AromaticContact CE1-CD2 4Å; F257-F302 HydrophobicContact CE1-CD2 4Å; F257-F302 HydrophobicContact CE1-CE1 4.23Å; F257-F302 AromaticContact CE1-CE2 3.38Å; F257-F302 HydrophobicContact CE1-CE2 3.38Å; F257-F302 AromaticContact CE1-CZ 3.54Å; F257-F302 HydrophobicContact CE1-CZ 3.54Å; F257-F302 HydrophobicContact CG-CE2 4.5Å; P259-F302 HydrophobicContact CG-CD1 4.26Å; P259-F302 HydrophobicContact CG-CE1 3.96Å; L289-F302 HydrophobicContact CD2-CD2 3.62Å; L289-F302 HydrophobicContact CD2-CE2 3.87Å; W298-F302 HydrophobicContact CE3-CE2 4.15Å; W298-F302 VanDerWaalsContact O-CD2 3.26Å; W298-F302 WeakPolarHBondContact O-CD2 3.26Å; W298-F302 PolarHBondContact O-N 3.04Å; T299-F302 PolarHBondContact O-N 2.78Å; F302-T304 PolarHBondContact O-N 2.83Å; F302-L305 HydrophobicContact CD1-CD2 4.03Å; F302-L305 HydrophobicContact CE1-CD2 4.07Å; F302-L305 PolarHBondContact O-N 2.8Å; F302-I314 HydrophobicContact CE2-CG2 4.28Å; F302-I314 HydrophobicContact CZ-CG2 3.75Å
303S92Very high88.9Confident78 Ų7840.5 Ų40.555%0.54522%0.22SC..Hα-helixtrans-67.6-28.5173.262.80000112.3T299 D300T299-S303 WeakPolarHBondContact O-CB 3.34Å; T299-S303 PolarHBondContact O-N 2.78Å; T299-S303 PolarHBondContact O-OG 2.81Å; D300-S303 WeakPolarHBondContact CA-OG 3.5Å; D300-S303 PolarHBondContact O-OG 2.91Å
304T94.3Very high89.9Confident14 Ų1439.9 Ų39.99%0.08622%0.216CC..THydrogen-bonded Turntrans-98.42.5-179.5-45.80000112.6D300 Y301 F302 H306 K524 S527 L528D300-T304 VanDerWaalsContact O-CB 3.28Å; D300-T304 WeakPolarHBondContact O-CB 3.32Å; D300-T304 PolarHBondContact O-N 2.81Å; D300-T304 PolarHBondContact O-OG1 3.18Å; D300-T304 PolarHBondContact OD1-OG1 3.4Å; Y301-T304 PolarHBondContact O-N 3.19Å; F302-T304 PolarHBondContact O-N 2.83Å; T304-H306 PolarHBondContact O-CD2 3.29Å; T304-H306 PolarHBondContact O-N 2.71Å; T304-K524 HydrophobicContact CG2-CG 3.83Å; T304-S527 PolarHBondContact O-OG 3.3Å; T304-L528 HydrophobicContact CG2-CD2 3.64Å; T304-L528 HydrophobicContact CG2-CG 3.74Å
305L97.4Very high91.1Very high10 Ų1034 Ų345%0.05219%0.186CC..  trans-93.199.2-173.8-173.269000111.8Y301 F302 T307 K312 S527 V530Y301-L305 HydrophobicContact CD1-CD2 4.49Å; Y301-L305 HydrophobicContact CE1-CD2 3.79Å; Y301-L305 WeakPolarHBondContact O-CB 3.47Å; Y301-L305 PolarHBondContact O-N 3.36Å; Y301-L305 VanDerWaalsContact O-N 3.17Å; F302-L305 HydrophobicContact CD1-CD2 4.03Å; F302-L305 HydrophobicContact CE1-CD2 4.07Å; F302-L305 PolarHBondContact O-N 2.8Å; L305-T307 HydrophobicContact CD1-CG2 3.91Å; L305-T307 WeakPolarHBondContact CD1-OG1 3.34Å; L305-T307 WeakPolarHBondContact CG-OG1 3.24Å; L305-K312 HydrophobicContact CD2-CD 3.79Å; L305-K312 PolarHBondContact O-NZ 3.39Å; L305-S527 WeakPolarHBondContact CA-OG 3.27Å; L305-S527 VanDerWaalsContact CB-OG 3.3Å; L305-S527 WeakPolarHBondContact CB-OG 3.39Å; L305-S527 PolarHBondContact N-OG 2.81Å; L305-S527 VanDerWaalsContact N-OG 3.08Å; L305-V530 HydrophobicContact CD1-CG2 3.51Å
306H96.9Very high92.4Very high95 Ų9532.7 Ų32.744%0.4417%0.17SC..  trans-96.414.5-175.1-58.4-71.5000114.5T304 F417 S531T304-H306 PolarHBondContact O-CD2 3.29Å; T304-H306 PolarHBondContact O-N 2.71Å; H306-F417 HydrophobicContact CB-CD1 3.6Å; H306-F417 HydrophobicContact CB-CE1 3.86Å; H306-F417 HydrophobicContact CB-CG 4.2Å; H306-F417 VanDerWaalsContact CD2-CB 3.43Å; H306-F417 WeakPolarHBondContact CD2-CB 3.4Å; H306-F417 AromaticContact CD2-CD1 3.63Å; H306-F417 AromaticContact CD2-CD2 3.64Å; H306-F417 AromaticContact CD2-CG 3.28Å; H306-F417 WeakPolarHBondContact CD2-CG 3.3Å; H306-F417 AromaticContact CG-CD1 3.58Å; H306-F417 AromaticContact CG-CG 3.69Å; H306-F417 WeakPolarHBondContact NE2-CB 3.47Å; H306-F417 AromaticContact NE2-CG 3.78Å; H306-S531 PolarHBondContact N-OG 2.86Å
307T96.7Very high93Very high9 Ų932.2 Ų32.26%0.05517%0.168CC..  trans-78.8158.4178.259.40000112.4L305 L310 K312 V530 E534L305-T307 HydrophobicContact CD1-CG2 3.91Å; L305-T307 WeakPolarHBondContact CD1-OG1 3.34Å; L305-T307 WeakPolarHBondContact CG-OG1 3.24Å; T307-L310 VanDerWaalsContact CB-O 3.29Å; T307-L310 WeakPolarHBondContact CB-O 3.28Å; T307-L310 HydrophobicContact CG2-CB 4.05Å; T307-L310 PolarHBondContact OG1-O 3.08Å; T307-K312 WeakPolarHBondContact O-CE 3.17Å; T307-K312 PolarHBondContact O-NZ 3.34Å; T307-K312 WeakPolarHBondContact OG1-CE 3.09Å; T307-V530 HydrophobicContact CG2-CB 4.45Å; T307-V530 HydrophobicContact CG2-CG2 4.16Å; T307-V530 WeakPolarHBondContact CG2-O 3.36Å; T307-E534 WeakPolarHBondContact CA-OE1 3.38Å; T307-E534 VanDerWaalsContact CB-OE1 3.31Å; T307-E534 WeakPolarHBondContact CB-OE1 3.28Å; T307-E534 HydrophobicContact CG2-CB 4.03Å
308E93.1Very high93Very high122 Ų12233.3 Ų33.357%0.5717%0.174SC*.SBendtrans-85.4-43.1163.1-63.3-172.9175.600111.1E534 M538E308-E534 PolarHBondContact N-OE1 2.71Å; E308-M538 WeakPolarHBondContact OE2-CE 3.2Å
309H93.1Very high92.8Very high79 Ų7933 Ų3337%0.36617%0.174SC..SBendtrans-120.1-55.6-172.2-63.6-69.2000113.9K312 G339 E534H309-K312 WeakPolarHBondContact O-CB 3.41Å; H309-K312 WeakPolarHBondContact O-CG 3.23Å; H309-K312 PolarHBondContact O-N 3.39Å; H309-G339 WeakPolarHBondContact O-CA 3.04Å; H309-E534 WeakPolarHBondContact CA-OE2 3.33Å; H309-E534 PolarHBondContact N-OE2 3.1Å
310L95.6Very high93Very high5 Ų528.4 Ų28.43%0.02615%0.145CC..THydrogen-bonded Turntrans-61.5137.3-172.9-70-173.9000112.1T307 K312 F369 H370 L371 V530 L533 E534T307-L310 VanDerWaalsContact CB-O 3.29Å; T307-L310 WeakPolarHBondContact CB-O 3.28Å; T307-L310 HydrophobicContact CG2-CB 4.05Å; T307-L310 PolarHBondContact OG1-O 3.08Å; L310-K312 PolarHBondContact O-N 3.09Å; L310-K312 VanDerWaalsContact O-N 3.08Å; L310-F369 HydrophobicContact CD1-CE2 4.44Å; L310-F369 HydrophobicContact CD2-CD2 4.23Å; L310-H370 WeakPolarHBondContact CD2-O 3.42Å; L310-L371 HydrophobicContact CD1-CD1 4.21Å; L310-L371 HydrophobicContact CD2-CB 4.22Å; L310-L371 HydrophobicContact CD2-CD1 3.92Å; L310-L371 HydrophobicContact CG-CD1 4.37Å; L310-V530 HydrophobicContact CB-CB 4.35Å; L310-L533 HydrophobicContact CD1-CD2 4.02Å; L310-L533 HydrophobicContact CD1-CG 4.21Å; L310-E534 WeakPolarHBondContact CB-OE2 3.45Å; L310-E534 HydrophobicContact CD1-CB 4.02Å; L310-E534 HydrophobicContact CD1-CG 4.31Å; L310-E534 HydrophobicContact CG-CB 4.47Å; L310-E534 HydrophobicContact CG-CG 4.36Å; L310-E534 WeakPolarHBondContact CG-OE2 3.38Å; L310-E534 PolarHBondContact N-OE2 3.02Å
311G96.5Very high93.2Very high0 Ų030.8 Ų30.80%016%0.155CC..THydrogen-bonded Turntrans71.9-3.517700000115.4Y301 L313 G339Y301-G311 VanDerWaalsContact OH-CA 3.23Å; Y301-G311 WeakPolarHBondContact OH-CA 3.47Å; Y301-G311 PolarHBondContact OH-O 3.42Å; G311-L313 PolarHBondContact O-N 3.08Å; G311-G339 CarbonylContact C-O 3.53Å; G311-G339 WeakPolarHBondContact CA-O 3.22Å; G311-G339 PolarHBondContact N-O 3.07Å; G311-G339 VanDerWaalsContact N-O 3.09Å
312K95.7Very high93.3Very high39 Ų3930.9 Ų30.917%0.1716%0.156CC..SBendtrans-71.6-16.1177.2-62.8-63.9-178.6-166.80113T258 P259 K263 L305 T307 H309 L310 G339T258-K312 WeakPolarHBondContact CA-O 3.33Å; T258-K312 WeakPolarHBondContact CB-O 3.03Å; T258-K312 PolarHBondContact OG1-O 2.84Å; P259-K312 VanDerWaalsContact CD-O 3.3Å; P259-K312 WeakPolarHBondContact CD-O 3.46Å; K263-K312 HydrophobicContact CD-CB 3.96Å; K263-K312 VanDerWaalsContact NZ-CB 3.25Å; L305-K312 HydrophobicContact CD2-CD 3.79Å; L305-K312 PolarHBondContact O-NZ 3.39Å; T307-K312 WeakPolarHBondContact O-CE 3.17Å; T307-K312 PolarHBondContact O-NZ 3.34Å; T307-K312 WeakPolarHBondContact OG1-CE 3.09Å; H309-K312 WeakPolarHBondContact O-CB 3.41Å; H309-K312 WeakPolarHBondContact O-CG 3.23Å; H309-K312 PolarHBondContact O-N 3.39Å; L310-K312 PolarHBondContact O-N 3.09Å; L310-K312 VanDerWaalsContact O-N 3.08Å; K312-G339 PolarHBondContact N-O 2.93Å
313L96Very high93.4Very high0 Ų029.1 Ų29.10%015%0.148CC..EExtended strand (participates in β ladder)trans-118.7110.4169171.562.9000108C256 T258 K263 I266 V267 L270 G311 G339 L340 L341C256-L313 VanDerWaalsContact SG-CD1 3.55Å; T258-L313 HydrophobicContact CG2-CD1 4.21Å; K263-L313 HydrophobicContact CD-CB 4.08Å; I266-L313 HydrophobicContact CB-CD2 3.82Å; I266-L313 HydrophobicContact CG2-CD2 3.46Å; I266-L313 VanDerWaalsContact CG2-CD2 3.46Å; V267-L313 HydrophobicContact CG2-CD1 3.74Å; L270-L313 HydrophobicContact CD1-CD2 4.04Å; G311-L313 PolarHBondContact O-N 3.08Å; L313-G339 PolarHBondContact N-O 3.33Å; L313-G339 VanDerWaalsContact N-O 3.08Å; L313-G339 VanDerWaalsContact O-O 3.07Å; L313-L340 HydrophobicContact CD2-CD1 4.2Å; L313-L340 HydrophobicContact CG-CD1 4.16Å; L313-L340 CarbonylContact O-C 3.6Å; L313-L340 VanDerWaalsContact O-CA 3.28Å; L313-L340 WeakPolarHBondContact O-CA 3.41Å; L313-L341 PolarHBondContact O-N 3.23Å
314I96.6Very high93.6Very high0 Ų026.7 Ų26.70%013%0.128CC..EExtended strand (participates in β ladder)trans-113.9136-174.5-177.6165.1000110.4C256 F257 F296 W298 Y301 F302 L341C256-I314 CarbonylContact C-O 3.55Å; C256-I314 VanDerWaalsContact CA-O 3.28Å; C256-I314 WeakPolarHBondContact CA-O 3.34Å; F257-I314 HydrophobicContact CB-CG2 4.2Å; F257-I314 HydrophobicContact CD1-CG2 4.46Å; F257-I314 PolarHBondContact N-O 3.28Å; F257-I314 WeakPolarHBondContact O-CG2 3.3Å; F257-I314 PolarHBondContact O-N 3.41Å; F296-I314 HydrophobicContact CD1-CD1 4.44Å; F296-I314 HydrophobicContact CE1-CD1 3.59Å; F296-I314 HydrophobicContact CZ-CD1 3.81Å; W298-I314 HydrophobicContact CE3-CD1 4.49Å; W298-I314 HydrophobicContact CE3-CG2 4.3Å; W298-I314 HydrophobicContact CH2-CG2 4.49Å; W298-I314 HydrophobicContact CZ3-CB 4.37Å; W298-I314 HydrophobicContact CZ3-CD1 3.87Å; W298-I314 HydrophobicContact CZ3-CG1 4Å; W298-I314 HydrophobicContact CZ3-CG2 3.54Å; Y301-I314 HydrophobicContact CD1-CD1 4.23Å; Y301-I314 HydrophobicContact CE1-CD1 3.93Å; Y301-I314 HydrophobicContact CE2-CD1 4.26Å; F302-I314 HydrophobicContact CE2-CG2 4.28Å; F302-I314 HydrophobicContact CZ-CG2 3.75Å; I314-L341 CarbonylContact C-O 3.59Å; I314-L341 VanDerWaalsContact CA-O 3.28Å; I314-L341 WeakPolarHBondContact CA-O 3.46Å; I314-L341 HydrophobicContact CD1-CD2 3.98Å; I314-L341 HydrophobicContact CG1-CD2 4.03Å
315V95.8Very high93.6Very high0 Ų028 Ų280%013%0.134CC..EExtended strand (participates in β ladder)trans-120.6117.5171.1-179.50000107.4L254 H255 C256 L270 L340 L341 V342 C343L254-V315 HydrophobicContact CB-CG1 3.73Å; L254-V315 HydrophobicContact CD1-CG1 3.99Å; L254-V315 HydrophobicContact CG-CG1 4.4Å; H255-V315 CarbonylContact O-C 3.44Å; H255-V315 WeakPolarHBondContact O-CA 3.39Å; C256-V315 HydrophobicContact CB-CG2 4.24Å; L270-V315 HydrophobicContact CD1-CG2 4.04Å; V315-L340 HydrophobicContact CG2-CD1 3.81Å; V315-L341 PolarHBondContact N-O 3.47Å; V315-V342 HydrophobicContact CB-CG1 4.37Å; V315-V342 HydrophobicContact CB-CG2 4.13Å; V315-V342 HydrophobicContact CG1-CG1 4.45Å; V315-V342 CarbonylContact O-C 3.57Å; V315-V342 VanDerWaalsContact O-CA 3.24Å; V315-V342 WeakPolarHBondContact O-CA 3.31Å; V315-C343 PolarHBondContact O-N 3.44Å
316W94.6Very high93.5Very high8 Ų827.6 Ų27.63%0.0313%0.132CC..EExtended strand (participates in β ladder)trans-119.4148.3-178.3176.686.9000111.4H255 P293 G295 F296 W298 N318 C343 N345H255-W316 HydrophobicContact CB-CE3 4.39Å; H255-W316 PolarHBondContact N-O 2.87Å; H255-W316 PolarHBondContact O-N 3.43Å; P293-W316 HydrophobicContact CB-CE3 4.41Å; P293-W316 HydrophobicContact CB-CH2 4.09Å; P293-W316 HydrophobicContact CB-CZ3 3.58Å; P293-W316 HydrophobicContact CG-CE3 4.3Å; P293-W316 HydrophobicContact CG-CZ3 3.76Å; G295-W316 VanDerWaalsContact C-CZ2 3.44Å; F296-W316 HydrophobicContact CB-CD2 4.08Å; F296-W316 HydrophobicContact CB-CG 4.09Å; F296-W316 HydrophobicContact CB-CZ2 4.3Å; F296-W316 AromaticContact CD2-CD1 3.73Å; F296-W316 AromaticContact CD2-NE1 3.87Å; F296-W316 AromaticContact CG-CD1 3.84Å; F296-W316 HydrophobicContact CG-CG 4.36Å; W298-W316 HydrophobicContact CH2-CB 3.45Å; W298-W316 VanDerWaalsContact CH2-CB 3.45Å; W298-W316 HydrophobicContact CH2-CG 4.19Å; W298-W316 HydrophobicContact CZ2-CB 3.79Å; W298-W316 HydrophobicContact CZ2-CD2 4.21Å; W298-W316 HydrophobicContact CZ2-CE3 4.19Å; W298-W316 HydrophobicContact CZ2-CG 4.08Å; W298-W316 HydrophobicContact CZ3-CB 4.45Å; W316-N318 HydrophobicContact CH2-CB 3.7Å; W316-N318 HydrophobicContact CZ2-CB 3.96Å; W316-N318 HydrophobicContact CZ3-CB 4.47Å; W316-C343 WeakPolarHBondContact CA-O 3.29Å; W316-N345 PolarHBondContact NE1-OD1 3.02Å
317S91.2Very high93.4Very high0 Ų023.1 Ų23.10%011%0.111CC..EExtended strand (participates in β ladder)trans-141.7147.3164.31780000110.2S251 S319 C343 S344 N345S251-S317 WeakPolarHBondContact CB-OG 3.48Å; S317-S319 VanDerWaalsContact C-N 3.28Å; S317-S319 PolarHBondContact O-N 3.28Å; S317-S319 PolarHBondContact OG-N 3.18Å; S317-S319 PolarHBondContact OG-O 3.38Å; S317-C343 PolarHBondContact N-O 2.83Å; S317-S344 WeakPolarHBondContact O-CA 3.18Å; S317-S344 WeakPolarHBondContact O-CB 3.33Å; S317-N345 PolarHBondContact O-N 3.33Å
318N81.1Confident93.2Very high62 Ų6225.4 Ų25.433%0.33212%0.121SC..EExtended strand (participates in β ladder)trans-61.3-39.8172.7-170.155.9000112W316 N345 I346W316-N318 HydrophobicContact CH2-CB 3.7Å; W316-N318 HydrophobicContact CZ2-CB 3.96Å; W316-N318 HydrophobicContact CZ3-CB 4.47Å; N318-N345 WeakPolarHBondContact O-CB 3.34Å; N318-N345 PolarHBondContact O-N 3.44Å; N318-N345 PolarHBondContact OD1-ND2 3.2Å; N318-I346 PolarHBondContact O-N 3.45Å
319S82.5Confident93.1Very high7 Ų724 Ų245%0.04912%0.115CC..EExtended strand (participates in β ladder)trans-141137.8177.5-176.10000110.5S251 S317S251-S319 PolarHBondContact N-O 2.78Å; S317-S319 VanDerWaalsContact C-N 3.28Å; S317-S319 PolarHBondContact O-N 3.28Å; S317-S319 PolarHBondContact OG-N 3.18Å; S317-S319 PolarHBondContact OG-O 3.38Å
320M90.5Very high93Very high0 Ų020.6 Ų20.60%010%0.099CC..EExtended strand (participates in β ladder)trans-149.4167.9171.563.2171.76200111.7L254 V342 I346 Q347 S348L254-M320 HydrophobicContact CD2-CE 3.86Å; M320-V342 HydrophobicContact CE-CG1 3.87Å; M320-V342 HydrophobicContact SD-CG1 4.2Å; M320-I346 PolarHBondContact N-O 3.47Å; M320-I346 VanDerWaalsContact N-O 3.13Å; M320-Q347 HydrophobicContact CG-CG 4.41Å; M320-Q347 CarbonylContact O-C 3.49Å; M320-Q347 WeakPolarHBondContact O-CA 3.42Å; M320-S348 PolarHBondContact O-N 2.87Å
321E91.9Very high92.9Very high79 Ų7920.8 Ų20.837%0.36910%0.099SC..SBendtrans-63.1-58.9175.2-65.4-164.1164.600112.3D250 S348 K349D250-E321 HydrophobicContact CB-CG 4.49Å; D250-E321 PolarHBondContact OD1-N 3.42Å; D250-E321 WeakPolarHBondContact OD2-CG 3.32Å; E321-S348 WeakPolarHBondContact CA-OG 3.45Å; E321-S348 PolarHBondContact O-N 3.09Å; E321-K349 HydrophobicContact CB-CB 4.33Å; E321-K349 HydrophobicContact CB-CD 4.16Å; E321-K349 HydrophobicContact CB-CG 4.39Å; E321-K349 HydrophobicContact CG-CD 4.26Å; E321-K349 CarbonylContact O-C 3.52Å; E321-K349 VanDerWaalsContact O-C 3.24Å; E321-K349 VanDerWaalsContact O-CA 3.24Å; E321-K349 WeakPolarHBondContact O-CA 3.49Å; E321-K349 WeakPolarHBondContact O-CB 3.4Å; E321-K349 PolarHBondContact O-N 3.13Å; E321-K349 IonicContact OE1-NZ 3.37Å; E321-K349 PolarHBondContact OE1-NZ 3.42Å; E321-K349 IonicContact OE2-NZ 3.85Å; E321-K349 PolarHBondContact OE2-NZ 3.16Å
322S94.1Very high92.6Very high2 Ų227.4 Ų27.41%0.01413%0.13CC..  trans-164123.7-178.7172.20000109W324 D325 F326 K349S322-W324 PolarHBondContact O-N 3.21Å; S322-W324 PolarHBondContact OG-N 2.73Å; S322-D325 WeakPolarHBondContact CB-OD2 3.26Å; S322-D325 PolarHBondContact O-N 2.64Å; S322-D325 PolarHBondContact OG-N 2.95Å; S322-D325 VanDerWaalsContact OG-N 3.12Å; S322-D325 PolarHBondContact OG-OD2 3.37Å; S322-F326 VanDerWaalsContact O-CB 3.31Å; S322-F326 WeakPolarHBondContact O-CB 3.26Å; S322-F326 PolarHBondContact O-N 2.78Å; S322-K349 WeakPolarHBondContact CB-O 3.42Å
323S96.3Very high92.4Very high2 Ų231.5 Ų31.51%0.01415%0.145CC..Hα-helixtrans-61.5-33.7172580000111.1F326 C327 Q347 T368S323-F326 PolarHBondContact O-N 3.01Å; S323-C327 PolarHBondContact O-N 3.48Å; S323-C327 PolarHBondContact O-SG 3.22Å; S323-C327 VanDerWaalsContact O-SG 3.4Å; S323-Q347 PolarHBondContact OG-OE1 2.58Å; S323-T368 PolarHBondContact OG-OG1 3.39Å
324W96.5Very high92.2Very high28 Ų2831.7 Ų31.711%0.10615%0.146CC..Hα-helixtrans-64-53.8176.3180-94.1000111.8S322 F326 C327 Q328 K351 T368 L474 R476 L488S322-W324 PolarHBondContact O-N 3.21Å; S322-W324 PolarHBondContact OG-N 2.73Å; W324-F326 VanDerWaalsContact C-N 3.27Å; W324-F326 PolarHBondContact O-N 2.72Å; W324-C327 PolarHBondContact O-N 3.48Å; W324-Q328 VanDerWaalsContact NE1-CD 3.3Å; W324-Q328 WeakPolarHBondContact O-CB 3.45Å; W324-Q328 WeakPolarHBondContact O-CG 3.4Å; W324-Q328 PolarHBondContact O-N 2.92Å; W324-K351 HydrophobicContact CB-CB 4.41Å; W324-K351 HydrophobicContact CG-CB 4.28Å; W324-T368 WeakPolarHBondContact CA-OG1 3.23Å; W324-T368 HydrophobicContact CE3-CG2 4.04Å; W324-T368 PolarHBondContact N-OG1 3.09Å; W324-L474 HydrophobicContact CD2-CD1 4.18Å; W324-L474 HydrophobicContact CE3-CB 4.07Å; W324-L474 HydrophobicContact CE3-CD1 4.41Å; W324-L474 HydrophobicContact CH2-CB 3.78Å; W324-L474 HydrophobicContact CZ2-CB 4.29Å; W324-L474 HydrophobicContact CZ3-CB 3.67Å; W324-R476 HydrophobicContact CH2-CB 3.72Å; W324-R476 HydrophobicContact CZ2-CB 3.94Å; W324-L488 HydrophobicContact CE3-CD2 4.37Å; W324-L488 HydrophobicContact CE3-CG 4.4Å; W324-L488 HydrophobicContact CZ3-CD2 4.37Å; W324-L488 HydrophobicContact CZ3-CG 4.15Å; W324-L488 WeakPolarHBondContact CZ3-O 3.4Å
325D94.3Very high91.9Very high40 Ų4037.1 Ų37.121%0.21417%0.171CC..Hα-helixtrans-68.1-29.9179.7-63.5-33.5000111.9S322 Q329 K351S322-D325 WeakPolarHBondContact CB-OD2 3.26Å; S322-D325 PolarHBondContact O-N 2.64Å; S322-D325 PolarHBondContact OG-N 2.95Å; S322-D325 VanDerWaalsContact OG-N 3.12Å; S322-D325 PolarHBondContact OG-OD2 3.37Å; D325-Q329 WeakPolarHBondContact O-CG 3.31Å; D325-Q329 PolarHBondContact O-N 3.06Å; D325-Q329 PolarHBondContact O-NE2 3.48Å; D325-K351 WeakPolarHBondContact OD1-CE 3.39Å; D325-K351 WeakPolarHBondContact OD2-CE 3.32Å
326F94Very high91.7Very high2 Ų239.2 Ų39.21%0.00918%0.184CC..Hα-helixtrans-60.7-54.6172.1175.9-103.2000111.1L254 K281 S322 S323 W324 Q328 Q329 F330 V342L254-F326 HydrophobicContact CD1-CD2 4.19Å; L254-F326 HydrophobicContact CD1-CE1 4.17Å; L254-F326 HydrophobicContact CD1-CE2 3.44Å; L254-F326 VanDerWaalsContact CD1-CE2 3.44Å; L254-F326 HydrophobicContact CD1-CZ 3.42Å; L254-F326 VanDerWaalsContact CD1-CZ 3.42Å; K281-F326 HydrophobicContact CD-CD2 4Å; K281-F326 HydrophobicContact CD-CE2 4.08Å; S322-F326 VanDerWaalsContact O-CB 3.31Å; S322-F326 WeakPolarHBondContact O-CB 3.26Å; S322-F326 PolarHBondContact O-N 2.78Å; S323-F326 PolarHBondContact O-N 3.01Å; W324-F326 VanDerWaalsContact C-N 3.27Å; W324-F326 PolarHBondContact O-N 2.72Å; F326-Q328 VanDerWaalsContact C-N 3.35Å; F326-Q328 PolarHBondContact O-N 3.06Å; F326-Q329 PolarHBondContact O-N 2.96Å; F326-F330 HydrophobicContact CD1-CE1 4.21Å; F326-F330 AromaticContact CD1-CZ 3.96Å; F326-F330 HydrophobicContact CD1-CZ 3.96Å; F326-F330 HydrophobicContact CD2-CE1 4.29Å; F326-F330 AromaticContact CE1-CE1 3.98Å; F326-F330 HydrophobicContact CE1-CE1 3.98Å; F326-F330 AromaticContact CE1-CZ 3.61Å; F326-F330 HydrophobicContact CE1-CZ 3.61Å; F326-F330 HydrophobicContact CE2-CE1 4.05Å; F326-F330 HydrophobicContact CE2-CZ 4.49Å; F326-F330 HydrophobicContact CG-CE1 4.38Å; F326-F330 AromaticContact CZ-CE1 3.9Å; F326-F330 HydrophobicContact CZ-CE1 3.9Å; F326-F330 AromaticContact CZ-CZ 3.9Å; F326-F330 HydrophobicContact CZ-CZ 3.9Å; F326-F330 WeakPolarHBondContact O-CE1 3.41Å; F326-V342 HydrophobicContact CD1-CB 4.38Å; F326-V342 HydrophobicContact CD1-CG1 3.79Å; F326-V342 HydrophobicContact CD1-CG2 3.94Å; F326-V342 HydrophobicContact CE1-CG1 4.15Å; F326-V342 HydrophobicContact CE1-CG2 3.93Å
327C94.7Very high91.4Very high1 Ų142.7 Ų42.71%0.00720%0.203CC..Hα-helixtrans-67-34179.7-66.40000113.2S323 W324 Q329 F330 F331 V342 T368 L488S323-C327 PolarHBondContact O-N 3.48Å; S323-C327 PolarHBondContact O-SG 3.22Å; S323-C327 VanDerWaalsContact O-SG 3.4Å; W324-C327 PolarHBondContact O-N 3.48Å; C327-Q329 VanDerWaalsContact C-N 3.26Å; C327-Q329 PolarHBondContact O-N 3.36Å; C327-F330 PolarHBondContact O-N 2.88Å; C327-F331 PolarHBondContact O-N 3.41Å; C327-F331 VanDerWaalsContact O-N 3.08Å; C327-V342 WeakPolarHBondContact SG-CG2 3.28Å; C327-T368 HydrophobicContact CB-CG2 4.11Å; C327-L488 HydrophobicContact CB-CD1 3.46Å; C327-L488 VanDerWaalsContact CB-CD1 3.46Å; C327-L488 HydrophobicContact CB-CD2 3.87Å; C327-L488 HydrophobicContact CB-CG 4.26Å
328Q93.4Very high91.5Very high57 Ų5742.7 Ų42.727%0.26620%0.203SC..Hα-helixtrans-60.1-33.8179.6-81.5-158.410600113.1W324 F326 F330 F331 L488W324-Q328 VanDerWaalsContact NE1-CD 3.3Å; W324-Q328 WeakPolarHBondContact O-CB 3.45Å; W324-Q328 WeakPolarHBondContact O-CG 3.4Å; W324-Q328 PolarHBondContact O-N 2.92Å; F326-Q328 VanDerWaalsContact C-N 3.35Å; F326-Q328 PolarHBondContact O-N 3.06Å; Q328-F330 PolarHBondContact O-N 3.3Å; Q328-F330 VanDerWaalsContact O-N 3.13Å; Q328-F331 PolarHBondContact O-N 3.32Å; Q328-L488 HydrophobicContact CB-CD2 4.48Å; Q328-L488 HydrophobicContact CG-CD2 3.65Å
329Q91.3Very high92.1Very high94 Ų9439.8 Ų39.844%0.43919%0.188SC..THydrogen-bonded Turntrans-57.2-29.7-177.6-76.5164.654.800113.9D325 F326 C327 R333D325-Q329 WeakPolarHBondContact O-CG 3.31Å; D325-Q329 PolarHBondContact O-N 3.06Å; D325-Q329 PolarHBondContact O-NE2 3.48Å; F326-Q329 PolarHBondContact O-N 2.96Å; C327-Q329 VanDerWaalsContact C-N 3.26Å; C327-Q329 PolarHBondContact O-N 3.36Å; Q329-R333 PolarHBondContact O-NH2 3.36Å
330F90.5Very high92.8Very high6 Ų639.4 Ų39.43%0.02619%0.186CC..THydrogen-bonded Turntrans-13118.7-176.952.8-97.3000112.1F269 L270 E273 F326 C327 Q328 E332 R333 I334 L340F269-F330 HydrophobicContact CE1-CD2 4.23Å; F269-F330 HydrophobicContact CZ-CB 4.47Å; F269-F330 HydrophobicContact CZ-CD2 4.47Å; L270-F330 HydrophobicContact CD2-CD2 4.46Å; L270-F330 HydrophobicContact CD2-CE2 3.74Å; L270-F330 HydrophobicContact CD2-CZ 3.96Å; E273-F330 HydrophobicContact CG-CB 4.37Å; F326-F330 HydrophobicContact CD1-CE1 4.21Å; F326-F330 AromaticContact CD1-CZ 3.96Å; F326-F330 HydrophobicContact CD1-CZ 3.96Å; F326-F330 HydrophobicContact CD2-CE1 4.29Å; F326-F330 AromaticContact CE1-CE1 3.98Å; F326-F330 HydrophobicContact CE1-CE1 3.98Å; F326-F330 AromaticContact CE1-CZ 3.61Å; F326-F330 HydrophobicContact CE1-CZ 3.61Å; F326-F330 HydrophobicContact CE2-CE1 4.05Å; F326-F330 HydrophobicContact CE2-CZ 4.49Å; F326-F330 HydrophobicContact CG-CE1 4.38Å; F326-F330 AromaticContact CZ-CE1 3.9Å; F326-F330 HydrophobicContact CZ-CE1 3.9Å; F326-F330 AromaticContact CZ-CZ 3.9Å; F326-F330 HydrophobicContact CZ-CZ 3.9Å; F326-F330 WeakPolarHBondContact O-CE1 3.41Å; C327-F330 PolarHBondContact O-N 2.88Å; Q328-F330 PolarHBondContact O-N 3.3Å; Q328-F330 VanDerWaalsContact O-N 3.13Å; F330-E332 VanDerWaalsContact C-N 3.27Å; F330-E332 PolarHBondContact O-N 2.99Å; F330-R333 CarbonylContact O-C 3.54Å; F330-R333 WeakPolarHBondContact O-CA 3.17Å; F330-R333 WeakPolarHBondContact O-CB 3.45Å; F330-R333 PolarHBondContact O-N 3.42Å; F330-I334 HydrophobicContact CD2-CD1 3.95Å; F330-I334 HydrophobicContact CD2-CG1 3.51Å; F330-I334 HydrophobicContact CE2-CD1 3.85Å; F330-I334 HydrophobicContact CE2-CG1 3.78Å; F330-I334 WeakPolarHBondContact O-CG1 3.37Å; F330-I334 PolarHBondContact O-N 3Å; F330-I334 VanDerWaalsContact O-N 3.11Å; F330-L340 HydrophobicContact CE2-CD2 4.13Å
331F93.2Very high93.2Very high9 Ų939.4 Ų39.44%0.03919%0.186CC..G310 helixtrans-50.7-46.1-176.1177.5-146000112.3C327 Q328 R333 I334 H370 R476 R478 E486 L488C327-F331 PolarHBondContact O-N 3.41Å; C327-F331 VanDerWaalsContact O-N 3.08Å; Q328-F331 PolarHBondContact O-N 3.32Å; F331-R333 PolarHBondContact O-N 3.14Å; F331-R333 VanDerWaalsContact O-N 3.09Å; F331-I334 HydrophobicContact CD2-CD1 4.32Å; F331-I334 PolarHBondContact O-N 3.1Å; F331-H370 AromaticContact CE2-CD2 3.79Å; F331-R476 HydrophobicContact CE1-CG 4.02Å; F331-R478 HydrophobicContact CE1-CB 3.95Å; F331-R478 HydrophobicContact CZ-CB 4.05Å; F331-E486 HydrophobicContact CE2-CB 4.03Å; F331-E486 HydrophobicContact CZ-CB 4.18Å; F331-L488 HydrophobicContact CD2-CB 4.09Å; F331-L488 HydrophobicContact CE1-CB 4.35Å; F331-L488 HydrophobicContact CE2-CB 3.87Å; F331-L488 HydrophobicContact CG-CB 4.45Å; F331-L488 HydrophobicContact CZ-CB 3.99Å
332E90.5Very high93.5Very high140 Ų14035.7 Ų35.765%0.65417%0.168SC*.G310 helixtrans-66.9-12.7-179.3-61.9-175.5179.500114.9F330 R478F330-E332 VanDerWaalsContact C-N 3.27Å; F330-E332 PolarHBondContact O-N 2.99Å; E332-R478 VanDerWaalsContact CA-NH1 3.29Å; E332-R478 PolarHBondContact O-NH1 3Å
333R91.7Very high93.6Very high124 Ų12435.7 Ų35.747%0.46817%0.168SC..G310 helixtrans-110.9-6.3-177.2-64.8175.1-79.2-170.9-7.7112.5F269 E273 Q329 F330 F331 H335F269-R333 HydrophobicContact CE2-CB 3.84Å; F269-R333 HydrophobicContact CZ-CB 3.61Å; F269-R333 WeakPolarHBondContact CZ-O 3.43Å; E273-R333 IonicContact OE1-NH1 3.93Å; E273-R333 PolarHBondContact OE1-NH1 3.31Å; E273-R333 IonicContact OE2-CZ 2.64Å; E273-R333 IonicContact OE2-NE 2.81Å; E273-R333 IonicContact OE2-NH1 3.2Å; E273-R333 PolarHBondContact OE2-NH1 3.08Å; E273-R333 IonicContact OE2-NH2 2.81Å; E273-R333 PolarHBondContact OE2-NH2 3.31Å; Q329-R333 PolarHBondContact O-NH2 3.36Å; F330-R333 CarbonylContact O-C 3.54Å; F330-R333 WeakPolarHBondContact O-CA 3.17Å; F330-R333 WeakPolarHBondContact O-CB 3.45Å; F330-R333 PolarHBondContact O-N 3.42Å; F331-R333 PolarHBondContact O-N 3.14Å; F331-R333 VanDerWaalsContact O-N 3.09Å; R333-H335 PolarHBondContact O-N 2.79Å
334I91.2Very high93.4Very high4 Ų435.8 Ų35.82%0.02117%0.169CC..SBendtrans-63.8128.7175.7-61.1174.5000107.9F330 F331 S338 L340 H370F330-I334 HydrophobicContact CD2-CD1 3.95Å; F330-I334 HydrophobicContact CD2-CG1 3.51Å; F330-I334 HydrophobicContact CE2-CD1 3.85Å; F330-I334 HydrophobicContact CE2-CG1 3.78Å; F330-I334 WeakPolarHBondContact O-CG1 3.37Å; F330-I334 PolarHBondContact O-N 3Å; F330-I334 VanDerWaalsContact O-N 3.11Å; F331-I334 HydrophobicContact CD2-CD1 4.32Å; F331-I334 PolarHBondContact O-N 3.1Å; I334-S338 VanDerWaalsContact CG2-OG 3.28Å; I334-S338 WeakPolarHBondContact CG2-OG 3.48Å; I334-L340 HydrophobicContact CD1-CD2 4.08Å; I334-L340 HydrophobicContact CG2-CD2 4.42Å; I334-H370 HydrophobicContact CD1-CB 4.33Å; I334-H370 HydrophobicContact CG2-CB 4.08Å; I334-H370 WeakPolarHBondContact CG2-ND1 3.18Å
335H91.2Very high92.8Very high115 Ų11535.4 Ų35.453%0.53217%0.169SC..PPolyproline II helixtrans-62.4138179.7-168.2-79.1000111.2I266 R333 S338I266-H335 HydrophobicContact CD1-CB 4.23Å; I266-H335 HydrophobicContact CG1-CB 4.35Å; R333-H335 PolarHBondContact O-N 2.79Å; H335-S338 WeakPolarHBondContact O-CB 3.44Å; H335-S338 PolarHBondContact O-N 3.36Å; H335-S338 VanDerWaalsContact O-N 3.13Å; H335-S338 PolarHBondContact O-OG 3.47Å
336P90.4Very high92.4Very high43 Ų4335 Ų3528%0.27917%0.167SC..THydrogen-bonded Turntrans-53.9142.7172-28.735.9000112.3S338 T372P336-S338 PolarHBondContact O-N 2.83Å; P336-T372 WeakPolarHBondContact CA-OG1 3.45Å; P336-T372 HydrophobicContact CB-CG2 4.1Å
337N90.1Very high92.2Very high81 Ų8135.8 Ų35.843%0.43317%0.17SC..THydrogen-bonded Turntrans55.828.8-176.4-55.3-39.4000113.6G339 T372N337-G339 PolarHBondContact O-N 3.39Å; N337-T372 PolarHBondContact N-OG1 3.32Å; N337-T372 WeakPolarHBondContact OD1-CB 3.38Å
338S93.1Very high91.9Very high0 Ų039 Ų390%019%0.193CC..  trans-59.4-28.3-178.955.10000114K263 I266 I334 H335 P336 L340 H370K263-S338 WeakPolarHBondContact CD-O 3.29Å; K263-S338 WeakPolarHBondContact CE-O 3.17Å; I266-S338 VanDerWaalsContact CD1-CA 3.48Å; I334-S338 VanDerWaalsContact CG2-OG 3.28Å; I334-S338 WeakPolarHBondContact CG2-OG 3.48Å; H335-S338 WeakPolarHBondContact O-CB 3.44Å; H335-S338 PolarHBondContact O-N 3.36Å; H335-S338 VanDerWaalsContact O-N 3.13Å; H335-S338 PolarHBondContact O-OG 3.47Å; P336-S338 PolarHBondContact O-N 2.83Å; S338-L340 PolarHBondContact O-N 3.3Å; S338-L340 PolarHBondContact OG-N 3.29Å; S338-H370 PolarHBondContact OG-ND1 3.34Å
339G93.4Very high91.9Very high1 Ų141.4 Ų41.41%0.0120%0.202CC..  trans66.816.1-17200000113.4H309 G311 K312 L313 N337 L341H309-G339 WeakPolarHBondContact O-CA 3.04Å; G311-G339 CarbonylContact C-O 3.53Å; G311-G339 WeakPolarHBondContact CA-O 3.22Å; G311-G339 PolarHBondContact N-O 3.07Å; G311-G339 VanDerWaalsContact N-O 3.09Å; K312-G339 PolarHBondContact N-O 2.93Å; L313-G339 PolarHBondContact N-O 3.33Å; L313-G339 VanDerWaalsContact N-O 3.08Å; L313-G339 VanDerWaalsContact O-O 3.07Å; N337-G339 PolarHBondContact O-N 3.39Å; G339-L341 PolarHBondContact O-N 2.88Å
340L97.1Very high92Very high0 Ų037.1 Ų37.10%018%0.183CC..EExtended strand (participates in β ladder)trans-66.1123.5-175.5178.362.5000110.9L270 L313 V315 F330 I334 S338 V342 F369 H370L270-L340 HydrophobicContact CD1-CD1 3.92Å; L270-L340 HydrophobicContact CD2-CD2 4.19Å; L313-L340 HydrophobicContact CD2-CD1 4.2Å; L313-L340 HydrophobicContact CG-CD1 4.16Å; L313-L340 CarbonylContact O-C 3.6Å; L313-L340 VanDerWaalsContact O-CA 3.28Å; L313-L340 WeakPolarHBondContact O-CA 3.41Å; V315-L340 HydrophobicContact CG2-CD1 3.81Å; F330-L340 HydrophobicContact CE2-CD2 4.13Å; I334-L340 HydrophobicContact CD1-CD2 4.08Å; I334-L340 HydrophobicContact CG2-CD2 4.42Å; S338-L340 PolarHBondContact O-N 3.3Å; S338-L340 PolarHBondContact OG-N 3.29Å; L340-V342 HydrophobicContact CD1-CG2 3.96Å; L340-V342 HydrophobicContact CD2-CG2 4.36Å; L340-V342 HydrophobicContact CG-CG2 4.07Å; L340-F369 CarbonylContact O-C 3.48Å; L340-F369 WeakPolarHBondContact O-CA 3.45Å; L340-F369 WeakPolarHBondContact O-CB 3.35Å; L340-H370 HydrophobicContact CB-CB 4.26Å; L340-H370 PolarHBondContact O-N 3.04Å
341L98.2Very high92.2Very high0 Ų040.7 Ų40.70%020%0.198CC..EExtended strand (participates in β ladder)trans-126.9125.1167.8-177.3144.6000109.1L313 I314 V315 G339 C343 F367 F369 I526 V530L313-L341 PolarHBondContact O-N 3.23Å; I314-L341 CarbonylContact C-O 3.59Å; I314-L341 VanDerWaalsContact CA-O 3.28Å; I314-L341 WeakPolarHBondContact CA-O 3.46Å; I314-L341 HydrophobicContact CD1-CD2 3.98Å; I314-L341 HydrophobicContact CG1-CD2 4.03Å; V315-L341 PolarHBondContact N-O 3.47Å; G339-L341 PolarHBondContact O-N 2.88Å; L341-C343 HydrophobicContact CD2-CB 3.9Å; L341-F367 HydrophobicContact CD1-CD2 3.91Å; L341-F367 HydrophobicContact CD1-CE2 4.46Å; L341-F367 HydrophobicContact CD2-CB 4.36Å; L341-F367 HydrophobicContact CG-CD2 4.38Å; L341-F369 HydrophobicContact CB-CB 4.15Å; L341-F369 HydrophobicContact CD1-CB 4.28Å; L341-F369 HydrophobicContact CG-CB 4.26Å; L341-I526 HydrophobicContact CD1-CG2 3.71Å; L341-I526 HydrophobicContact CD2-CG2 4.19Å; L341-V530 HydrophobicContact CD1-CG1 3.81Å
342V97.8Very high92.1Very high0 Ų040.8 Ų40.80%020%0.202CC..EExtended strand (participates in β ladder)trans-111.8122.9177.5-174.20000108.5V315 M320 F326 C327 L340 F367 T368V315-V342 HydrophobicContact CB-CG1 4.37Å; V315-V342 HydrophobicContact CB-CG2 4.13Å; V315-V342 HydrophobicContact CG1-CG1 4.45Å; V315-V342 CarbonylContact O-C 3.57Å; V315-V342 VanDerWaalsContact O-CA 3.24Å; V315-V342 WeakPolarHBondContact O-CA 3.31Å; M320-V342 HydrophobicContact CE-CG1 3.87Å; M320-V342 HydrophobicContact SD-CG1 4.2Å; F326-V342 HydrophobicContact CD1-CB 4.38Å; F326-V342 HydrophobicContact CD1-CG1 3.79Å; F326-V342 HydrophobicContact CD1-CG2 3.94Å; F326-V342 HydrophobicContact CE1-CG1 4.15Å; F326-V342 HydrophobicContact CE1-CG2 3.93Å; C327-V342 WeakPolarHBondContact SG-CG2 3.28Å; L340-V342 HydrophobicContact CD1-CG2 3.96Å; L340-V342 HydrophobicContact CD2-CG2 4.36Å; L340-V342 HydrophobicContact CG-CG2 4.07Å; V342-F367 CarbonylContact O-C 3.52Å; V342-F367 WeakPolarHBondContact O-CA 3.45Å; V342-T368 PolarHBondContact N-O 2.94Å; V342-T368 PolarHBondContact O-N 2.96Å
343C97Very high91.8Very high2 Ų237.6 Ų37.61%0.01418%0.184CC..EExtended strand (participates in β ladder)trans-135.4161.8-178.660.50000112.6V315 W316 S317 L341 A366 F367 I526V315-C343 PolarHBondContact O-N 3.44Å; W316-C343 WeakPolarHBondContact CA-O 3.29Å; S317-C343 PolarHBondContact N-O 2.83Å; L341-C343 HydrophobicContact CD2-CB 3.9Å; C343-A366 WeakPolarHBondContact CA-O 3.24Å; C343-F367 HydrophobicContact CB-CB 3.67Å; C343-I526 HydrophobicContact CB-CD1 4.25Å
344S92.8Very high91.3Very high4 Ų434.7 Ų34.73%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-156.4154176.557.60000112.5S317 I346 Q347 A366S317-S344 WeakPolarHBondContact O-CA 3.18Å; S317-S344 WeakPolarHBondContact O-CB 3.33Å; S344-I346 PolarHBondContact OG-O 2.7Å; S344-Q347 WeakPolarHBondContact OG-CG 3.37Å; S344-A366 PolarHBondContact N-O 3.27Å; S344-A366 VanDerWaalsContact N-O 3.13Å
345N83Confident91Very high20 Ų2043 Ų4311%0.10723%0.231CC..EExtended strand (participates in β ladder)trans-74.4-29.4175.8-62.9-13.4000112.4G295 W316 S317 N318 V362G295-N345 PolarHBondContact O-ND2 2.96Å; G295-N345 PolarHBondContact O-OD1 3.44Å; W316-N345 PolarHBondContact NE1-OD1 3.02Å; S317-N345 PolarHBondContact O-N 3.33Å; N318-N345 WeakPolarHBondContact O-CB 3.34Å; N318-N345 PolarHBondContact O-N 3.44Å; N318-N345 PolarHBondContact OD1-ND2 3.2Å; N345-V362 WeakPolarHBondContact O-CA 3.13Å
346I85.2Confident90.7Very high33 Ų3341.6 Ų41.617%0.16923%0.228CC..EExtended strand (participates in β ladder)trans-137.9136.4-179.4-51.8175.9000109.3N318 M320 S344 S360 V362N318-I346 PolarHBondContact O-N 3.45Å; M320-I346 PolarHBondContact N-O 3.47Å; M320-I346 VanDerWaalsContact N-O 3.13Å; S344-I346 PolarHBondContact OG-O 2.7Å; I346-S360 WeakPolarHBondContact CA-O 3.48Å; I346-V362 HydrophobicContact CD1-CG2 3.35Å; I346-V362 HydrophobicContact CG1-CB 4.47Å; I346-V362 HydrophobicContact CG1-CG2 3.38Å
347Q91.1Very high90.8Very high18 Ų1848.5 Ų48.58%0.08425%0.254CS..EExtended strand (participates in β ladder)trans-120.6120.9166.4-51.5-176.913700111.8M320 S323 S344 S360 A366M320-Q347 HydrophobicContact CG-CG 4.41Å; M320-Q347 CarbonylContact O-C 3.49Å; M320-Q347 WeakPolarHBondContact O-CA 3.42Å; S323-Q347 PolarHBondContact OG-OE1 2.58Å; S344-Q347 WeakPolarHBondContact OG-CG 3.37Å; Q347-S360 PolarHBondContact N-O 3.42Å; Q347-S360 VanDerWaalsContact N-O 3.12Å; Q347-S360 PolarHBondContact NE2-OG 3.33Å; Q347-A366 HydrophobicContact CG-CB 4.22Å
348S88.7Confident90.9Very high68 Ų6846.9 Ų46.948%0.47624%0.241SC..THydrogen-bonded Turntrans-77.1-20.9-178.562.80000113.6D250 M320 E321D250-S348 PolarHBondContact OD1-OG 2.79Å; D250-S348 PolarHBondContact OD2-OG 3.35Å; M320-S348 PolarHBondContact O-N 2.87Å; E321-S348 WeakPolarHBondContact CA-OG 3.45Å; E321-S348 PolarHBondContact O-N 3.09Å
349K93.2Very high90.6Very high108 Ų10852.2 Ų52.247%0.4727%0.269SS..THydrogen-bonded Turntrans-134.137.5-179.2-59-178.7-172.6162.20112.4E321 S322E321-K349 HydrophobicContact CB-CB 4.33Å; E321-K349 HydrophobicContact CB-CD 4.16Å; E321-K349 HydrophobicContact CB-CG 4.39Å; E321-K349 HydrophobicContact CG-CD 4.26Å; E321-K349 CarbonylContact O-C 3.52Å; E321-K349 VanDerWaalsContact O-C 3.24Å; E321-K349 VanDerWaalsContact O-CA 3.24Å; E321-K349 WeakPolarHBondContact O-CA 3.49Å; E321-K349 WeakPolarHBondContact O-CB 3.4Å; E321-K349 PolarHBondContact O-N 3.13Å; E321-K349 IonicContact OE1-NZ 3.37Å; E321-K349 PolarHBondContact OE1-NZ 3.42Å; E321-K349 IonicContact OE2-NZ 3.85Å; E321-K349 PolarHBondContact OE2-NZ 3.16Å; S322-K349 WeakPolarHBondContact CB-O 3.42Å
350G92.7Very high90.3Very high3 Ų352.4 Ų52.43%0.03127%0.27CS..  trans-50.5141.517800000112.7W358G350-W358 CarbonylContact C-O 3.49Å; G350-W358 VanDerWaalsContact CA-O 3.26Å; G350-W358 WeakPolarHBondContact CA-O 3.47Å; G350-W358 PolarHBondContact O-N 3.3Å
351K94.5Very high89.4Confident81 Ų8154.3 Ų54.335%0.35228%0.282SS..BIsolated β-bridgetrans-106.2137.2-173-67.6-67.6-170.9168.90111.7W324 D325 W358 L474W324-K351 HydrophobicContact CB-CB 4.41Å; W324-K351 HydrophobicContact CG-CB 4.28Å; D325-K351 WeakPolarHBondContact OD1-CE 3.39Å; D325-K351 WeakPolarHBondContact OD2-CE 3.32Å; K351-W358 VanDerWaalsContact O-CB 3.28Å; K351-W358 WeakPolarHBondContact O-CB 3.39Å; K351-L474 HydrophobicContact CB-CD1 4.18Å; K351-L474 VanDerWaalsContact O-CD1 3.29Å; K351-L474 WeakPolarHBondContact O-CD1 3.46Å
352G90.8Very high88.4Confident12 Ų1256.6 Ų56.612%0.12430%0.296CS..  trans-111.1-171.6168.100000111.2N356G352-N356 WeakPolarHBondContact CA-O 3.4Å; G352-N356 PolarHBondContact N-O 3.15Å
353R84.9Confident87.5Confident73 Ų7356.9 Ų56.928%0.27530%0.299SS..SBendtrans-72.1137-176.7-161-178.987.9-174.43.9110.2N356 L474 G622 N623R353-N356 WeakPolarHBondContact O-CB 3.47Å; R353-N356 PolarHBondContact O-N 3.25Å; R353-N356 PolarHBondContact O-ND2 3.34Å; R353-L474 HydrophobicContact CB-CD2 3.92Å; R353-L474 HydrophobicContact CG-CD2 4.41Å; R353-G622 PolarHBondContact NH2-O 3.25Å; R353-N623 PolarHBondContact NH2-O 2.76Å
354G81.9Confident87.2Confident62 Ų6256.9 Ų56.964%0.63930%0.299SS*.THydrogen-bonded Turntrans65.6-134.2-172.900000110.8N356G354-N356 VanDerWaalsContact C-N 3.3Å; G354-N356 PolarHBondContact O-N 3.08Å
355E83.4Confident87.3Confident179 Ų17956.7 Ų56.784%0.83630%0.297SS*.THydrogen-bonded Turntrans-88.97.8178.1-62.1-54.712900113.7
356N86.8Confident87.9Confident86 Ų8655.8 Ų55.846%0.4629%0.293SS..  trans-68.1145.4-179.7-69.8-41.7000111.4G352 R353 G354G352-N356 WeakPolarHBondContact CA-O 3.4Å; G352-N356 PolarHBondContact N-O 3.15Å; R353-N356 WeakPolarHBondContact O-CB 3.47Å; R353-N356 PolarHBondContact O-N 3.25Å; R353-N356 PolarHBondContact O-ND2 3.34Å; G354-N356 VanDerWaalsContact C-N 3.3Å; G354-N356 PolarHBondContact O-N 3.08Å
357K91.4Very high88.6Confident188 Ų18854.3 Ų54.382%0.81729%0.285SS*.BIsolated β-bridgetrans-92.8142.9171.6-62.7-179.8-177.1177.50109.9
358W91.6Very high88.9Confident46 Ų4653.5 Ų53.517%0.17428%0.282CS..  trans-107.1120.1169.9-173-93000108.9G350 K351 S360 Q364 K469 G492G350-W358 CarbonylContact C-O 3.49Å; G350-W358 VanDerWaalsContact CA-O 3.26Å; G350-W358 WeakPolarHBondContact CA-O 3.47Å; G350-W358 PolarHBondContact O-N 3.3Å; K351-W358 VanDerWaalsContact O-CB 3.28Å; K351-W358 WeakPolarHBondContact O-CB 3.39Å; W358-S360 PolarHBondContact O-N 3.22Å; W358-Q364 VanDerWaalsContact NE1-CD 3.29Å; W358-K469 HydrophobicContact CH2-CD 4.37Å; W358-K469 HydrophobicContact CZ3-CD 4.3Å; W358-G492 VanDerWaalsContact CZ2-O 3.3Å; W358-G492 WeakPolarHBondContact CZ2-O 3.15Å
359I87.2Confident89.4Confident113 Ų11350.3 Ų50.358%0.57926%0.259SS*.  trans-80.5119.8179.3-54.2177.5000107.6P361 Q364I359-P361 VanDerWaalsContact C-CD 3.5Å; I359-P361 VanDerWaalsContact O-CD 3.28Å; I359-P361 WeakPolarHBondContact O-CD 3.28Å; I359-Q364 PolarHBondContact O-NE2 3.26Å
360S87.3Confident89.6Confident4 Ų445.3 Ų45.33%0.02824%0.238CC..BIsolated β-bridgetrans-117.476.4-179.1-65.80000111I346 Q347 W358 Q364I346-S360 WeakPolarHBondContact CA-O 3.48Å; Q347-S360 PolarHBondContact N-O 3.42Å; Q347-S360 VanDerWaalsContact N-O 3.12Å; Q347-S360 PolarHBondContact NE2-OG 3.33Å; W358-S360 PolarHBondContact O-N 3.22Å; S360-Q364 VanDerWaalsContact CA-OE1 3.26Å; S360-Q364 PolarHBondContact OG-OE1 3.45Å
361P77.6Confident89.7Confident41 Ų4145.6 Ų45.627%0.26624%0.239SC..  trans-73.8169.5173.435.6-34.5000110.6I359 Q364 N497I359-P361 VanDerWaalsContact C-CD 3.5Å; I359-P361 VanDerWaalsContact O-CD 3.28Å; I359-P361 WeakPolarHBondContact O-CD 3.28Å; P361-Q364 WeakPolarHBondContact O-CB 3.36Å; P361-Q364 PolarHBondContact O-N 2.89Å; P361-N497 HydrophobicContact CG-CB 3.86Å
362V77.6Confident89.7Confident48 Ų4842.4 Ų42.429%0.29123%0.226SC..THydrogen-bonded Turntrans-54.1141.4168.3-177.70000109.8L71 N345 I346 N497L71-V362 HydrophobicContact CD1-CG1 3.99Å; N345-V362 WeakPolarHBondContact O-CA 3.13Å; I346-V362 HydrophobicContact CD1-CG2 3.35Å; I346-V362 HydrophobicContact CG1-CB 4.47Å; I346-V362 HydrophobicContact CG1-CG2 3.38Å; V362-N497 WeakPolarHBondContact O-CB 3.38Å
363G79.9Confident89.7Confident6 Ų642.1 Ų42.16%0.06222%0.221CC..THydrogen-bonded Turntrans96.7-5.9-177.400000113.4A495 F496 N497G363-A495 WeakPolarHBondContact O-CA 3.36Å; G363-A495 VanDerWaalsContact O-CB 3.32Å; G363-A495 WeakPolarHBondContact O-CB 3.39Å; G363-A495 PolarHBondContact O-N 3.11Å; G363-A495 VanDerWaalsContact O-N 3.13Å; G363-F496 PolarHBondContact O-N 3.48Å; G363-N497 PolarHBondContact O-OD1 2.65Å
364Q89.1Confident89.9Confident1 Ų141.7 Ų41.71%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-92.2137.7174.8-168.3178.988.400111.1W358 I359 S360 P361 A366 I493 N494W358-Q364 VanDerWaalsContact NE1-CD 3.29Å; I359-Q364 PolarHBondContact O-NE2 3.26Å; S360-Q364 VanDerWaalsContact CA-OE1 3.26Å; S360-Q364 PolarHBondContact OG-OE1 3.45Å; P361-Q364 WeakPolarHBondContact O-CB 3.36Å; P361-Q364 PolarHBondContact O-N 2.89Å; Q364-A366 PolarHBondContact O-N 3.48Å; Q364-A366 VanDerWaalsContact O-N 3.15Å; Q364-I493 CarbonylContact C-O 3.43Å; Q364-I493 WeakPolarHBondContact CA-O 3.01Å; Q364-I493 VanDerWaalsContact CG-O 3.22Å; Q364-I493 WeakPolarHBondContact CG-O 3.29Å; Q364-N494 PolarHBondContact NE2-OD1 3.34Å
365A95.6Very high89.9Confident0 Ų039.5 Ų39.50%020%0.204CC..EExtended strand (participates in β ladder)trans-78.191.2161.600000108.7F367 G492 I493 I522 L525 I526A365-F367 HydrophobicContact CB-CD1 4.39Å; A365-F367 HydrophobicContact CB-CE1 4.31Å; A365-G492 WeakPolarHBondContact O-CA 3.18Å; A365-I493 HydrophobicContact CB-CB 4.16Å; A365-I493 PolarHBondContact N-O 3.5Å; A365-I493 PolarHBondContact O-N 3.18Å; A365-I522 HydrophobicContact CB-CG2 3.78Å; A365-L525 HydrophobicContact CB-CD2 4.09Å; A365-I526 HydrophobicContact CB-CD1 4.19Å; A365-I526 HydrophobicContact CB-CG1 3.8Å
366A96.4Very high89.1Confident2 Ų236.2 Ų36.22%0.01720%0.198CC..EExtended strand (participates in β ladder)trans-105.5113177.200000110C343 S344 Q347 Q364C343-A366 WeakPolarHBondContact CA-O 3.24Å; S344-A366 PolarHBondContact N-O 3.27Å; S344-A366 VanDerWaalsContact N-O 3.13Å; Q347-A366 HydrophobicContact CG-CB 4.22Å; Q364-A366 PolarHBondContact O-N 3.48Å; Q364-A366 VanDerWaalsContact O-N 3.15Å
367F98.4Very high88.4Confident1 Ų136.2 Ų36.20%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-152.6153.3-17663.3-77.7000112.7L341 V342 C343 A365 F369 C491 I493 I526 V529 V530L341-F367 HydrophobicContact CD1-CD2 3.91Å; L341-F367 HydrophobicContact CD1-CE2 4.46Å; L341-F367 HydrophobicContact CD2-CB 4.36Å; L341-F367 HydrophobicContact CG-CD2 4.38Å; V342-F367 CarbonylContact O-C 3.52Å; V342-F367 WeakPolarHBondContact O-CA 3.45Å; C343-F367 HydrophobicContact CB-CB 3.67Å; A365-F367 HydrophobicContact CB-CD1 4.39Å; A365-F367 HydrophobicContact CB-CE1 4.31Å; F367-F369 AromaticContact CD2-CD1 3.89Å; F367-F369 HydrophobicContact CD2-CD1 3.89Å; F367-F369 HydrophobicContact CD2-CE1 4.41Å; F367-F369 AromaticContact CE2-CD1 3.84Å; F367-F369 HydrophobicContact CE2-CD1 3.84Å; F367-F369 AromaticContact CE2-CE1 3.93Å; F367-F369 HydrophobicContact CE2-CE1 3.93Å; F367-C491 HydrophobicContact CD1-CB 4.08Å; F367-C491 HydrophobicContact CD2-CB 4.34Å; F367-C491 HydrophobicContact CE1-CB 3.56Å; F367-C491 HydrophobicContact CE2-CB 3.85Å; F367-C491 HydrophobicContact CG-CB 4.45Å; F367-C491 HydrophobicContact CZ-CB 3.44Å; F367-C491 VanDerWaalsContact CZ-CB 3.44Å; F367-C491 PolarHBondContact N-O 3.42Å; F367-C491 PolarHBondContact O-N 3.12Å; F367-I493 HydrophobicContact CE1-CD1 4.08Å; F367-I493 HydrophobicContact CZ-CD1 4.44Å; F367-I526 HydrophobicContact CB-CD1 4.35Å; F367-I526 HydrophobicContact CD1-CB 4.49Å; F367-I526 HydrophobicContact CD1-CD1 3.93Å; F367-I526 HydrophobicContact CD1-CG1 3.66Å; F367-I526 HydrophobicContact CD1-CG2 4.16Å; F367-I526 HydrophobicContact CD2-CG2 3.96Å; F367-I526 HydrophobicContact CE1-CB 4.44Å; F367-I526 HydrophobicContact CE1-CG1 3.8Å; F367-I526 HydrophobicContact CE1-CG2 4.3Å; F367-I526 HydrophobicContact CE2-CG2 4.09Å; F367-I526 HydrophobicContact CG-CD1 4.29Å; F367-I526 HydrophobicContact CG-CG1 4.25Å; F367-I526 HydrophobicContact CG-CG2 3.99Å; F367-I526 HydrophobicContact CZ-CG1 4.48Å; F367-I526 HydrophobicContact CZ-CG2 4.25Å; F367-V529 HydrophobicContact CE2-CG1 4.5Å; F367-V529 HydrophobicContact CZ-CB 4.24Å; F367-V529 HydrophobicContact CZ-CG1 4Å; F367-V530 HydrophobicContact CE2-CG1 4.35Å
368T98.5Very high87.2Confident2 Ų230.7 Ų30.71%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-130.1135.8173.6-60.90000108.8S323 W324 C327 V342 L488 I489S323-T368 PolarHBondContact OG-OG1 3.39Å; W324-T368 WeakPolarHBondContact CA-OG1 3.23Å; W324-T368 HydrophobicContact CE3-CG2 4.04Å; W324-T368 PolarHBondContact N-OG1 3.09Å; C327-T368 HydrophobicContact CB-CG2 4.11Å; V342-T368 PolarHBondContact N-O 2.94Å; V342-T368 PolarHBondContact O-N 2.96Å; T368-L488 HydrophobicContact CG2-CD1 3.54Å; T368-L488 HydrophobicContact CG2-CD2 4.33Å; T368-L488 HydrophobicContact CG2-CG 3.75Å; T368-I489 CarbonylContact C-O 3.59Å; T368-I489 WeakPolarHBondContact CA-O 3.22Å; T368-I489 WeakPolarHBondContact CG2-O 3.08Å
369F98.3Very high86.1Confident0 Ų035.2 Ų35.20%021%0.206CC..EExtended strand (participates in β ladder)trans-133.5155.317962.7-86000112.5L310 L340 L341 F367 L371 I489 V530 L533L310-F369 HydrophobicContact CD1-CE2 4.44Å; L310-F369 HydrophobicContact CD2-CD2 4.23Å; L340-F369 CarbonylContact O-C 3.48Å; L340-F369 WeakPolarHBondContact O-CA 3.45Å; L340-F369 WeakPolarHBondContact O-CB 3.35Å; L341-F369 HydrophobicContact CB-CB 4.15Å; L341-F369 HydrophobicContact CD1-CB 4.28Å; L341-F369 HydrophobicContact CG-CB 4.26Å; F367-F369 AromaticContact CD2-CD1 3.89Å; F367-F369 HydrophobicContact CD2-CD1 3.89Å; F367-F369 HydrophobicContact CD2-CE1 4.41Å; F367-F369 AromaticContact CE2-CD1 3.84Å; F367-F369 HydrophobicContact CE2-CD1 3.84Å; F367-F369 AromaticContact CE2-CE1 3.93Å; F367-F369 HydrophobicContact CE2-CE1 3.93Å; F369-L371 HydrophobicContact CD2-CB 4.5Å; F369-L371 HydrophobicContact CE2-CB 4.38Å; F369-I489 HydrophobicContact CD1-CB 4.33Å; F369-I489 HydrophobicContact CD1-CG2 4.48Å; F369-I489 HydrophobicContact CD2-CB 4.39Å; F369-I489 HydrophobicContact CD2-CD1 4.48Å; F369-I489 HydrophobicContact CE1-CB 3.8Å; F369-I489 HydrophobicContact CE1-CG2 3.57Å; F369-I489 HydrophobicContact CE2-CB 3.86Å; F369-I489 HydrophobicContact CE2-CD1 3.54Å; F369-I489 HydrophobicContact CE2-CG1 4.26Å; F369-I489 HydrophobicContact CE2-CG2 4.27Å; F369-I489 HydrophobicContact CZ-CB 3.53Å; F369-I489 HydrophobicContact CZ-CD1 3.72Å; F369-I489 HydrophobicContact CZ-CG1 4.23Å; F369-I489 HydrophobicContact CZ-CG2 3.45Å; F369-I489 VanDerWaalsContact CZ-CG2 3.45Å; F369-I489 PolarHBondContact N-O 2.92Å; F369-I489 PolarHBondContact O-N 2.94Å; F369-V530 HydrophobicContact CD1-CG1 4.43Å; F369-L533 HydrophobicContact CE1-CD2 4.46Å; F369-L533 HydrophobicContact CE2-CD2 3.39Å; F369-L533 HydrophobicContact CZ-CD2 3.28Å
370H97.1Very high85.7Confident3 Ų332.3 Ų32.31%0.01419%0.191CC..EExtended strand (participates in β ladder)trans-98.7126176.3179.5-112.1000110.1L310 F331 I334 S338 L340 T372 L487L310-H370 WeakPolarHBondContact CD2-O 3.42Å; F331-H370 AromaticContact CE2-CD2 3.79Å; I334-H370 HydrophobicContact CD1-CB 4.33Å; I334-H370 HydrophobicContact CG2-CB 4.08Å; I334-H370 WeakPolarHBondContact CG2-ND1 3.18Å; S338-H370 PolarHBondContact OG-ND1 3.34Å; L340-H370 HydrophobicContact CB-CB 4.26Å; L340-H370 PolarHBondContact O-N 3.04Å; H370-T372 PolarHBondContact CE1-OG1 3.18Å; H370-L487 WeakPolarHBondContact CA-O 3.21Å; H370-L487 PolarHBondContact CD2-O 3.23Å
371L95.9Very high85.5Confident10 Ų1032.1 Ų32.15%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-119.2133.4176.4169.865.2000109.4L310 F369 L373 I388 L487 I489 I537L310-L371 HydrophobicContact CD1-CD1 4.21Å; L310-L371 HydrophobicContact CD2-CB 4.22Å; L310-L371 HydrophobicContact CD2-CD1 3.92Å; L310-L371 HydrophobicContact CG-CD1 4.37Å; F369-L371 HydrophobicContact CD2-CB 4.5Å; F369-L371 HydrophobicContact CE2-CB 4.38Å; L371-L373 HydrophobicContact CD1-CD2 4.05Å; L371-L373 HydrophobicContact CD2-CD2 4.14Å; L371-L373 HydrophobicContact CD2-CG 4.24Å; L371-L373 HydrophobicContact CG-CD2 4.15Å; L371-L373 HydrophobicContact CG-CG 4.21Å; L371-I388 HydrophobicContact CD2-CD1 3.73Å; L371-I388 HydrophobicContact CD2-CG1 4.29Å; L371-L487 HydrophobicContact CB-CB 4.13Å; L371-L487 HydrophobicContact CD2-CD1 3.92Å; L371-L487 HydrophobicContact CG-CD1 4.24Å; L371-L487 PolarHBondContact N-O 2.91Å; L371-L487 PolarHBondContact O-N 2.91Å; L371-I489 HydrophobicContact CB-CD1 4.21Å; L371-I489 HydrophobicContact CD2-CD1 3.98Å; L371-I537 HydrophobicContact CD1-CD1 4.12Å; L371-I537 HydrophobicContact CD2-CD1 3.67Å
372T94Very high85.8Confident14 Ų1433.9 Ų33.99%0.08620%0.195CC..EExtended strand (participates in β ladder)trans-108.8128.3171.2-62.20000108.5P336 N337 H370 H484P336-T372 WeakPolarHBondContact CA-OG1 3.45Å; P336-T372 HydrophobicContact CB-CG2 4.1Å; N337-T372 PolarHBondContact N-OG1 3.32Å; N337-T372 WeakPolarHBondContact OD1-CB 3.38Å; H370-T372 PolarHBondContact CE1-OG1 3.18Å; T372-H484 WeakPolarHBondContact CG2-CE1 3.17Å
373L92Very high86.3Confident5 Ų532.5 Ų32.53%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-113.4131.2170.2-62.2179.2000108.8L371 F381 V385 I388 V485 L487 I537L371-L373 HydrophobicContact CD1-CD2 4.05Å; L371-L373 HydrophobicContact CD2-CD2 4.14Å; L371-L373 HydrophobicContact CD2-CG 4.24Å; L371-L373 HydrophobicContact CG-CD2 4.15Å; L371-L373 HydrophobicContact CG-CG 4.21Å; L373-F381 HydrophobicContact CB-CE2 3.8Å; L373-V385 HydrophobicContact CD1-CG2 4.48Å; L373-I388 HydrophobicContact CD1-CD1 4.43Å; L373-V485 PolarHBondContact N-O 3.47Å; L373-V485 PolarHBondContact O-N 3.44Å; L373-L487 HydrophobicContact CD1-CD1 3.57Å; L373-L487 HydrophobicContact CG-CD1 3.94Å; L373-I537 HydrophobicContact CD2-CD1 4.24Å; L373-I537 HydrophobicContact CD2-CG2 3.73Å
374S87.5Confident86.7Confident65 Ų6532.3 Ų32.346%0.45518%0.184SC..EExtended strand (participates in β ladder)trans-142.7126.8176.7-62.10000110.7K483 H484S374-K483 VanDerWaalsContact CA-O 3.23Å; S374-K483 WeakPolarHBondContact CA-O 3.2Å; S374-H484 PolarHBondContact OG-CE1 3.13Å; S374-H484 PolarHBondContact OG-ND1 3.18Å
375T81.7Confident86.7Confident16 Ų1633 Ų3310%0.09819%0.188CC..  trans-150146.9176.8-179.60000112.6N377 F381 K483 Y541T375-N377 VanDerWaalsContact C-N 3.26Å; T375-N377 WeakPolarHBondContact CG2-O 3.38Å; T375-N377 PolarHBondContact O-N 2.93Å; T375-N377 PolarHBondContact OG1-N 3.39Å; T375-F381 HydrophobicContact CG2-CB 3.48Å; T375-F381 VanDerWaalsContact CG2-CB 3.48Å; T375-F381 HydrophobicContact CG2-CD2 3.33Å; T375-F381 HydrophobicContact CG2-CE2 4.16Å; T375-F381 HydrophobicContact CG2-CG 3.6Å; T375-K483 PolarHBondContact N-O 3.18Å; T375-K483 VanDerWaalsContact N-O 3.1Å; T375-K483 VanDerWaalsContact O-CB 3.25Å; T375-K483 WeakPolarHBondContact O-CB 3.26Å; T375-K483 WeakPolarHBondContact O-CG 3.24Å; T375-Y541 HydrophobicContact CG2-CD1 4.29Å; T375-Y541 HydrophobicContact CG2-CE1 3.62Å
376P67.1Low86.3Confident110 Ų11035.2 Ų35.271%0.71420%0.202SC*.SBendtrans-69-19.8170.828.4-34.8000113.9
377N72.1Confident86.1Confident85 Ų8535.1 Ų35.146%0.45520%0.201SC..  trans-93.3102.1-174.9-175.9-9.3000112.4T375 Q379 F381T375-N377 VanDerWaalsContact C-N 3.26Å; T375-N377 WeakPolarHBondContact CG2-O 3.38Å; T375-N377 PolarHBondContact O-N 2.93Å; T375-N377 PolarHBondContact OG1-N 3.39Å; N377-Q379 PolarHBondContact O-N 3.02Å; N377-F381 VanDerWaalsContact O-CB 3.25Å; N377-F381 WeakPolarHBondContact O-CB 3.39Å; N377-F381 PolarHBondContact O-N 3.07Å
378S65.7Low85.9Confident73 Ų7335.3 Ų35.351%0.5120%0.202SC..Hα-helixtrans-69.3-31.4-169.257.10000115.9F381 M382S378-F381 WeakPolarHBondContact O-CB 3.5Å; S378-M382 PolarHBondContact O-N 3.37Å
379Q69.9Low85.6Confident140 Ų14037.6 Ų37.665%0.65421%0.212SC*.Hα-helixtrans-78.9-49.8-173.9-173.2168.7-2.400111.9N377 F381 M382 N383N377-Q379 PolarHBondContact O-N 3.02Å; Q379-F381 PolarHBondContact O-N 3.32Å; Q379-M382 PolarHBondContact O-N 2.92Å; Q379-N383 PolarHBondContact O-N 3.13Å; Q379-N383 PolarHBondContact O-OD1 3.13Å
380M78.1Confident85.5Confident52 Ų5237.6 Ų37.626%0.25621%0.212SC..Hα-helixtrans-58.1-34.9173.6-175.2-17283.700111.4C384 Y541M380-C384 WeakPolarHBondContact O-CB 3.43Å; M380-C384 PolarHBondContact O-N 2.86Å; M380-Y541 HydrophobicContact CE-CD1 4.08Å; M380-Y541 HydrophobicContact CE-CE1 4.27Å; M380-Y541 HydrophobicContact CE-CG 4.22Å
381F84Confident85.5Confident0 Ų037.5 Ų37.50%021%0.212CC..Hα-helixtrans-58.6-53.7180-175.4-126.6000112.8L373 T375 N377 S378 Q379 N383 C384 V385 L479 V485 Y541L373-F381 HydrophobicContact CB-CE2 3.8Å; T375-F381 HydrophobicContact CG2-CB 3.48Å; T375-F381 VanDerWaalsContact CG2-CB 3.48Å; T375-F381 HydrophobicContact CG2-CD2 3.33Å; T375-F381 HydrophobicContact CG2-CE2 4.16Å; T375-F381 HydrophobicContact CG2-CG 3.6Å; N377-F381 VanDerWaalsContact O-CB 3.25Å; N377-F381 WeakPolarHBondContact O-CB 3.39Å; N377-F381 PolarHBondContact O-N 3.07Å; S378-F381 WeakPolarHBondContact O-CB 3.5Å; Q379-F381 PolarHBondContact O-N 3.32Å; F381-N383 VanDerWaalsContact C-N 3.33Å; F381-N383 PolarHBondContact O-N 3.35Å; F381-C384 WeakPolarHBondContact O-CB 3.48Å; F381-C384 PolarHBondContact O-N 2.73Å; F381-V385 HydrophobicContact CD2-CG2 4.26Å; F381-V385 HydrophobicContact CE1-CG2 4.47Å; F381-V385 HydrophobicContact CE2-CG2 4.13Å; F381-V385 HydrophobicContact CZ-CG2 4.24Å; F381-V385 VanDerWaalsContact O-CG2 3.24Å; F381-V385 WeakPolarHBondContact O-CG2 3.49Å; F381-V385 PolarHBondContact O-N 2.76Å; F381-L479 HydrophobicContact CE1-CD1 4.47Å; F381-V485 HydrophobicContact CE1-CB 4.36Å; F381-V485 HydrophobicContact CE1-CG2 3.59Å; F381-V485 HydrophobicContact CE2-CB 4.37Å; F381-V485 HydrophobicContact CE2-CG2 4.4Å; F381-V485 HydrophobicContact CZ-CB 3.64Å; F381-V485 HydrophobicContact CZ-CG2 3.39Å; F381-Y541 HydrophobicContact CD2-CE1 4.37Å; F381-Y541 WeakPolarHBondContact CD2-OH 3.46Å
382M83.9Confident85.6Confident79 Ų7937 Ų3739%0.38921%0.209SC..Hα-helixtrans-65.7-38.3-176.1-67.4-54.1-59.300112S378 Q379 V385 T386S378-M382 PolarHBondContact O-N 3.37Å; Q379-M382 PolarHBondContact O-N 2.92Å; M382-V385 PolarHBondContact O-N 2.98Å; M382-T386 PolarHBondContact O-N 3.43Å; M382-T386 PolarHBondContact O-OG1 2.8Å
383N86.7Confident85.8Confident19 Ų1936.3 Ų36.310%0.10221%0.205CC..Hα-helixtrans-62.6-42.7174.6-66.514.9000111.4Q379 F381 V385 T386 C387 L549 D601 Y602Q379-N383 PolarHBondContact O-N 3.13Å; Q379-N383 PolarHBondContact O-OD1 3.13Å; F381-N383 VanDerWaalsContact C-N 3.33Å; F381-N383 PolarHBondContact O-N 3.35Å; N383-V385 VanDerWaalsContact C-N 3.32Å; N383-V385 PolarHBondContact O-N 3.32Å; N383-T386 PolarHBondContact O-N 3.47Å; N383-T386 PolarHBondContact O-OG1 3.12Å; N383-C387 WeakPolarHBondContact O-CB 3.23Å; N383-C387 PolarHBondContact O-N 2.92Å; N383-C387 PolarHBondContact O-SG 3.38Å; N383-C387 VanDerWaalsContact O-SG 3.37Å; N383-L549 HydrophobicContact CB-CD2 3.5Å; N383-L549 VanDerWaalsContact CB-CD2 3.5Å; N383-D601 WeakPolarHBondContact CB-O 3.4Å; N383-Y602 WeakPolarHBondContact OD1-CE1 3.42Å
384C88.2Confident86.1Confident1 Ų136.1 Ų36.11%0.00720%0.204CC..Hα-helixtrans-63.2-39.8175-177.90000111.9M380 F381 C387 I388 Y541M380-C384 WeakPolarHBondContact O-CB 3.43Å; M380-C384 PolarHBondContact O-N 2.86Å; F381-C384 WeakPolarHBondContact O-CB 3.48Å; F381-C384 PolarHBondContact O-N 2.73Å; C384-C387 CarbonylContact O-C 3.53Å; C384-C387 PolarHBondContact O-N 3.03Å; C384-I388 PolarHBondContact O-N 3.15Å; C384-Y541 HydrophobicContact CB-CE2 4.32Å; C384-Y541 VanDerWaalsContact SG-CE2 3.59Å; C384-Y541 PolarHBondContact SG-OH 3.44Å
385V89.4Confident86.6Confident15 Ų1533 Ų339%0.09118%0.182CC..Hα-helixtrans-63.9-42.91791710000110.9L373 F381 M382 N383 C387 I388 V485L373-V385 HydrophobicContact CD1-CG2 4.48Å; F381-V385 HydrophobicContact CD2-CG2 4.26Å; F381-V385 HydrophobicContact CE1-CG2 4.47Å; F381-V385 HydrophobicContact CE2-CG2 4.13Å; F381-V385 HydrophobicContact CZ-CG2 4.24Å; F381-V385 VanDerWaalsContact O-CG2 3.24Å; F381-V385 WeakPolarHBondContact O-CG2 3.49Å; F381-V385 PolarHBondContact O-N 2.76Å; M382-V385 PolarHBondContact O-N 2.98Å; N383-V385 VanDerWaalsContact C-N 3.32Å; N383-V385 PolarHBondContact O-N 3.32Å; V385-C387 VanDerWaalsContact C-N 3.31Å; V385-C387 PolarHBondContact O-N 3Å; V385-I388 VanDerWaalsContact O-CG2 3.27Å; V385-I388 WeakPolarHBondContact O-CG2 3.34Å; V385-I388 PolarHBondContact O-N 3Å; V385-V485 HydrophobicContact CG1-CG1 4.23Å; V385-V485 HydrophobicContact CG2-CB 4.18Å; V385-V485 HydrophobicContact CG2-CG1 4.16Å; V385-V485 HydrophobicContact CG2-CG2 3.94Å
386T88.1Confident87.4Confident48 Ų4832.2 Ų32.229%0.29418%0.178SC..Hα-helixtrans-68.6-31.8176.654.30000112.5M382 N383 Y602M382-T386 PolarHBondContact O-N 3.43Å; M382-T386 PolarHBondContact O-OG1 2.8Å; N383-T386 PolarHBondContact O-N 3.47Å; N383-T386 PolarHBondContact O-OG1 3.12Å; T386-Y602 WeakPolarHBondContact CB-O 3.33Å; T386-Y602 HydrophobicContact CG2-CD1 4.43Å; T386-Y602 WeakPolarHBondContact OG1-CA 3.48Å; T386-Y602 PolarHBondContact OG1-O 3.05Å; T386-Y602 VanDerWaalsContact OG1-O 3.11Å
387C91.9Very high88.9Confident0 Ų027 Ų270%014%0.144CC..THydrogen-bonded Turntrans-88.83.3-179.8-69.30000114.6N383 C384 V385 Q389 H390 I391 L549 G603N383-C387 WeakPolarHBondContact O-CB 3.23Å; N383-C387 PolarHBondContact O-N 2.92Å; N383-C387 PolarHBondContact O-SG 3.38Å; N383-C387 VanDerWaalsContact O-SG 3.37Å; C384-C387 CarbonylContact O-C 3.53Å; C384-C387 PolarHBondContact O-N 3.03Å; V385-C387 VanDerWaalsContact C-N 3.31Å; V385-C387 PolarHBondContact O-N 3Å; C387-Q389 VanDerWaalsContact C-N 3.28Å; C387-Q389 PolarHBondContact O-N 3.01Å; C387-H390 WeakPolarHBondContact O-CA 3.32Å; C387-H390 VanDerWaalsContact O-CB 3.27Å; C387-H390 WeakPolarHBondContact O-CB 3.31Å; C387-H390 PolarHBondContact O-N 3.46Å; C387-I391 PolarHBondContact O-N 2.9Å; C387-L549 HydrophobicContact CB-CD1 3.83Å; C387-L549 HydrophobicContact CB-CD2 4.27Å; C387-G603 PolarHBondContact SG-N 3.37Å; C387-G603 VanDerWaalsContact SG-N 3.4Å
388I94.3Very high90.2Very high4 Ų423 Ų232%0.02112%0.122CC..Hα-helixtrans-61.3-36.7-173.8-168.565.5000112.9L371 L373 C384 V385 H390 I391 V392 V475 L487 I489 L533 I537L371-I388 HydrophobicContact CD2-CD1 3.73Å; L371-I388 HydrophobicContact CD2-CG1 4.29Å; L373-I388 HydrophobicContact CD1-CD1 4.43Å; C384-I388 PolarHBondContact O-N 3.15Å; V385-I388 VanDerWaalsContact O-CG2 3.27Å; V385-I388 WeakPolarHBondContact O-CG2 3.34Å; V385-I388 PolarHBondContact O-N 3Å; I388-H390 PolarHBondContact O-N 3.27Å; I388-I391 HydrophobicContact CD1-CB 4.48Å; I388-I391 HydrophobicContact CD1-CD1 4.17Å; I388-I391 PolarHBondContact O-N 3.49Å; I388-V392 HydrophobicContact CG1-CG2 4.43Å; I388-V392 VanDerWaalsContact O-CG2 3.24Å; I388-V392 WeakPolarHBondContact O-CG2 3.12Å; I388-V392 PolarHBondContact O-N 3.17Å; I388-V475 HydrophobicContact CG2-CG1 3.68Å; I388-V475 HydrophobicContact CG2-CG2 4.4Å; I388-L487 HydrophobicContact CD1-CD1 4.44Å; I388-L487 HydrophobicContact CG1-CD1 4.01Å; I388-L487 HydrophobicContact CG2-CD2 3.99Å; I388-I489 HydrophobicContact CG1-CD1 4.08Å; I388-L533 HydrophobicContact CD1-CD1 4.44Å; I388-I537 HydrophobicContact CD1-CD1 4.21Å
389Q92.8Very high91.7Very high50 Ų5019.5 Ų19.523%0.23410%0.098CC..Hα-helixtrans-62.6-33.917668.5-172.515.900111.5C387 V392 A393 P440 V475C387-Q389 VanDerWaalsContact C-N 3.28Å; C387-Q389 PolarHBondContact O-N 3.01Å; Q389-V392 PolarHBondContact O-N 3.29Å; Q389-A393 WeakPolarHBondContact O-CB 3.19Å; Q389-A393 PolarHBondContact O-N 3.27Å; Q389-P440 VanDerWaalsContact NE2-CB 3.34Å; Q389-V475 HydrophobicContact CB-CG2 3.82Å
390H95Very high93.1Very high1 Ų112.8 Ų12.81%0.0057%0.067CC..Hα-helixtrans-69.5-42.9175.8-52.870.8000110.8C387 I388 V392 A393 L394 W439 Y556 G603C387-H390 WeakPolarHBondContact O-CA 3.32Å; C387-H390 VanDerWaalsContact O-CB 3.27Å; C387-H390 WeakPolarHBondContact O-CB 3.31Å; C387-H390 PolarHBondContact O-N 3.46Å; I388-H390 PolarHBondContact O-N 3.27Å; H390-V392 VanDerWaalsContact C-N 3.33Å; H390-V392 PolarHBondContact O-N 3.17Å; H390-A393 PolarHBondContact O-N 2.84Å; H390-L394 WeakPolarHBondContact O-CB 3.22Å; H390-L394 PolarHBondContact O-N 2.81Å; H390-W439 AromaticContact NE2-CD1 3.63Å; H390-W439 AromaticContact NE2-NE1 3.48Å; H390-W439 PolarHBondContact NE2-NE1 3.07Å; H390-Y556 HydrophobicContact CB-CD2 3.62Å; H390-Y556 HydrophobicContact CB-CE2 3.61Å; H390-Y556 HydrophobicContact CB-CG 4.27Å; H390-Y556 AromaticContact CD2-CE1 3.83Å; H390-Y556 AromaticContact CD2-CE2 3.86Å; H390-Y556 AromaticContact CD2-CZ 3.6Å; H390-Y556 WeakPolarHBondContact O-CD2 3.36Å; H390-G603 PolarHBondContact CE1-O 2.98Å; H390-G603 PolarHBondContact NE2-O 3.33Å
391I96.9Very high94Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-60.7-44.5175.3-58.8168.2000110.3C387 I388 L394 S395 L533 I536 I540 V552C387-I391 PolarHBondContact O-N 2.9Å; I388-I391 HydrophobicContact CD1-CB 4.48Å; I388-I391 HydrophobicContact CD1-CD1 4.17Å; I388-I391 PolarHBondContact O-N 3.49Å; I391-L394 PolarHBondContact O-N 3.22Å; I391-S395 WeakPolarHBondContact O-CB 3.35Å; I391-S395 PolarHBondContact O-N 3.45Å; I391-S395 PolarHBondContact O-OG 2.73Å; I391-L533 HydrophobicContact CB-CD1 4.25Å; I391-L533 HydrophobicContact CG2-CD1 3.47Å; I391-L533 VanDerWaalsContact CG2-CD1 3.47Å; I391-I536 HydrophobicContact CG2-CB 4.15Å; I391-I536 HydrophobicContact CG2-CD1 4.45Å; I391-I536 HydrophobicContact CG2-CG2 3.66Å; I391-I540 HydrophobicContact CD1-CD1 4.15Å; I391-V552 HydrophobicContact CG1-CG1 3.79Å
392V97.9Very high94.7Very high0 Ų011.4 Ų11.40%06%0.059CC..Hα-helixtrans-64.6-46.2178.3176.60000111I388 Q389 H390 L394 S395 I396 V473 I489 L533I388-V392 HydrophobicContact CG1-CG2 4.43Å; I388-V392 VanDerWaalsContact O-CG2 3.24Å; I388-V392 WeakPolarHBondContact O-CG2 3.12Å; I388-V392 PolarHBondContact O-N 3.17Å; Q389-V392 PolarHBondContact O-N 3.29Å; H390-V392 VanDerWaalsContact C-N 3.33Å; H390-V392 PolarHBondContact O-N 3.17Å; V392-L394 PolarHBondContact O-N 3.37Å; V392-S395 WeakPolarHBondContact O-CB 3.45Å; V392-S395 PolarHBondContact O-N 3.13Å; V392-I396 HydrophobicContact CG1-CD1 4.36Å; V392-I396 WeakPolarHBondContact O-CG1 3.47Å; V392-I396 PolarHBondContact O-N 2.81Å; V392-V473 HydrophobicContact CB-CG1 4.17Å; V392-V473 HydrophobicContact CG1-CG1 3.7Å; V392-V473 HydrophobicContact CG1-CG2 3.91Å; V392-I489 HydrophobicContact CG1-CG2 3.92Å; V392-I489 HydrophobicContact CG2-CD1 3.93Å; V392-I489 HydrophobicContact CG2-CG2 3.9Å; V392-L533 HydrophobicContact CG2-CD1 3.99Å; V392-L533 HydrophobicContact CG2-CD2 4.05Å
393A98Very high95.3Very high0 Ų07.9 Ų7.90%04%0.041CC..Hα-helixtrans-61.7-42.6177.500000112Q389 H390 S395 I396 V397 I437 I443 Y556Q389-A393 WeakPolarHBondContact O-CB 3.19Å; Q389-A393 PolarHBondContact O-N 3.27Å; H390-A393 PolarHBondContact O-N 2.84Å; A393-S395 VanDerWaalsContact C-N 3.34Å; A393-S395 PolarHBondContact O-N 2.78Å; A393-I396 PolarHBondContact O-N 3Å; A393-V397 PolarHBondContact O-N 3.41Å; A393-V397 VanDerWaalsContact O-N 3.11Å; A393-I437 HydrophobicContact CB-CD1 4.26Å; A393-I437 HydrophobicContact CB-CG2 4.22Å; A393-I443 HydrophobicContact CB-CD1 4.19Å; A393-Y556 HydrophobicContact CB-CE2 4.18Å
394L98.3Very high95.8Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-60.2-44.5173.1178.561.4000111.1H390 I391 V392 I396 V397 L398 V426 I536 V552 L555H390-L394 WeakPolarHBondContact O-CB 3.22Å; H390-L394 PolarHBondContact O-N 2.81Å; I391-L394 PolarHBondContact O-N 3.22Å; V392-L394 PolarHBondContact O-N 3.37Å; L394-I396 VanDerWaalsContact C-N 3.29Å; L394-I396 PolarHBondContact O-N 3.06Å; L394-V397 PolarHBondContact O-N 2.84Å; L394-V397 VanDerWaalsContact O-N 3.09Å; L394-L398 HydrophobicContact CD1-CD1 4.41Å; L394-L398 HydrophobicContact CD1-CG 4.25Å; L394-L398 HydrophobicContact CG-CD1 4.01Å; L394-L398 HydrophobicContact CG-CG 4.31Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.46Å; L394-L398 PolarHBondContact O-N 3.12Å; L394-V426 HydrophobicContact CD1-CG2 4.26Å; L394-I536 HydrophobicContact CD2-CD1 4.21Å; L394-I536 HydrophobicContact CG-CD1 4.48Å; L394-V552 HydrophobicContact CD2-CG1 4.15Å; L394-L555 HydrophobicContact CD1-CB 4.24Å; L394-L555 HydrophobicContact CD2-CB 3.82Å
395S98.6Very high96.2Very high0 Ų06.9 Ų6.90%04%0.036CC..Hα-helixtrans-61.5-35.6178.6-55.70000112.6I391 V392 A393 A399 L533I391-S395 WeakPolarHBondContact O-CB 3.35Å; I391-S395 PolarHBondContact O-N 3.45Å; I391-S395 PolarHBondContact O-OG 2.73Å; V392-S395 WeakPolarHBondContact O-CB 3.45Å; V392-S395 PolarHBondContact O-N 3.13Å; A393-S395 VanDerWaalsContact C-N 3.34Å; A393-S395 PolarHBondContact O-N 2.78Å; S395-A399 WeakPolarHBondContact O-CB 3.37Å; S395-A399 PolarHBondContact O-N 3.49Å; S395-L533 VanDerWaalsContact OG-CA 3.23Å; S395-L533 WeakPolarHBondContact OG-CA 3.27Å; S395-L533 PolarHBondContact OG-N 3.49Å
396I98.8Very high96.5Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-64-46.9172-67.5170.3000111V392 A393 L394 L398 A399 C400 I443 A471 V473 I493 V529V392-I396 HydrophobicContact CG1-CD1 4.36Å; V392-I396 WeakPolarHBondContact O-CG1 3.47Å; V392-I396 PolarHBondContact O-N 2.81Å; A393-I396 PolarHBondContact O-N 3Å; L394-I396 VanDerWaalsContact C-N 3.29Å; L394-I396 PolarHBondContact O-N 3.06Å; I396-L398 VanDerWaalsContact C-N 3.35Å; I396-L398 PolarHBondContact O-N 3.46Å; I396-A399 PolarHBondContact O-N 3.17Å; I396-C400 PolarHBondContact O-N 3.29Å; I396-C400 PolarHBondContact O-SG 3.35Å; I396-I443 HydrophobicContact CB-CD1 4.32Å; I396-I443 HydrophobicContact CD1-CD1 3.97Å; I396-I443 HydrophobicContact CG2-CD1 4.16Å; I396-I443 HydrophobicContact CG2-CG1 4.24Å; I396-A471 HydrophobicContact CG2-CB 4.22Å; I396-V473 HydrophobicContact CD1-CG2 3.62Å; I396-I493 HydrophobicContact CD1-CD1 4.3Å; I396-I493 HydrophobicContact CD1-CG1 4.31Å; I396-I493 HydrophobicContact CG1-CD1 4.02Å; I396-I493 HydrophobicContact CG2-CD1 3.98Å; I396-I493 HydrophobicContact CG2-CG1 4.16Å; I396-V529 HydrophobicContact CG1-CG1 3.86Å; I396-V529 HydrophobicContact CG1-CG2 4.14Å
397V98.5Very high96.8Very high0 Ų07.7 Ų7.70%04%0.036CC..Hα-helixtrans-61.4-44.9177.6175.10000111.1A393 L394 C400 R401 I435 I437 I443 C559A393-V397 PolarHBondContact O-N 3.41Å; A393-V397 VanDerWaalsContact O-N 3.11Å; L394-V397 PolarHBondContact O-N 2.84Å; L394-V397 VanDerWaalsContact O-N 3.09Å; V397-C400 PolarHBondContact O-N 3.26Å; V397-R401 HydrophobicContact CG1-CG 4.31Å; V397-R401 WeakPolarHBondContact O-CB 3.49Å; V397-R401 WeakPolarHBondContact O-CG 3.26Å; V397-R401 PolarHBondContact O-N 2.89Å; V397-I435 HydrophobicContact CG2-CG2 4.25Å; V397-I437 HydrophobicContact CG2-CD1 4.02Å; V397-I437 HydrophobicContact CG2-CG1 3.61Å; V397-I443 HydrophobicContact CG2-CG1 4.32Å; V397-I443 HydrophobicContact CG2-CG2 4.14Å; V397-C559 HydrophobicContact CG1-CB 4.33Å
398L98.7Very high96.9Very high0 Ų09.4 Ų9.40%05%0.045CC..Hα-helixtrans-59.9-47.1177.3-68.7171.6000111.8L394 I396 C400 R401 H402 E422 L425 V426 Y532 I536L394-L398 HydrophobicContact CD1-CD1 4.41Å; L394-L398 HydrophobicContact CD1-CG 4.25Å; L394-L398 HydrophobicContact CG-CD1 4.01Å; L394-L398 HydrophobicContact CG-CG 4.31Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.46Å; L394-L398 PolarHBondContact O-N 3.12Å; I396-L398 VanDerWaalsContact C-N 3.35Å; I396-L398 PolarHBondContact O-N 3.46Å; L398-C400 PolarHBondContact O-N 2.87Å; L398-R401 PolarHBondContact O-N 3.2Å; L398-H402 WeakPolarHBondContact O-CB 3.2Å; L398-H402 PolarHBondContact O-N 3.3Å; L398-E422 HydrophobicContact CD1-CB 4.21Å; L398-E422 HydrophobicContact CD1-CG 3.67Å; L398-E422 HydrophobicContact CD2-CB 4.13Å; L398-E422 HydrophobicContact CD2-CG 4.38Å; L398-L425 HydrophobicContact CB-CD1 4.36Å; L398-L425 HydrophobicContact CD2-CB 3.64Å; L398-L425 HydrophobicContact CD2-CD1 4.12Å; L398-V426 HydrophobicContact CD2-CG2 3.93Å; L398-Y532 HydrophobicContact CB-CD1 3.96Å; L398-Y532 HydrophobicContact CB-CD2 3.96Å; L398-Y532 HydrophobicContact CB-CE1 4.24Å; L398-Y532 HydrophobicContact CB-CE2 4.28Å; L398-Y532 HydrophobicContact CB-CG 3.84Å; L398-Y532 HydrophobicContact CD1-CD1 3.93Å; L398-Y532 HydrophobicContact CD1-CG 4.23Å; L398-I536 HydrophobicContact CD1-CD1 3.78Å
399A98.7Very high96.9Very high0 Ų017.4 Ų17.40%08%0.082CC..Hα-helixtrans-60.2-45176.900000112.3S395 I396 R401 H402 L403 L525 L528 V529 Y532S395-A399 WeakPolarHBondContact O-CB 3.37Å; S395-A399 PolarHBondContact O-N 3.49Å; I396-A399 PolarHBondContact O-N 3.17Å; A399-R401 PolarHBondContact O-N 3.38Å; A399-H402 PolarHBondContact O-N 2.96Å; A399-L403 PolarHBondContact O-N 3.48Å; A399-L525 HydrophobicContact CB-CD1 4.17Å; A399-L528 HydrophobicContact CB-CB 3.66Å; A399-V529 HydrophobicContact CB-CB 4.43Å; A399-V529 HydrophobicContact CB-CG2 3.57Å; A399-Y532 HydrophobicContact CB-CD2 4.22Å
400C98.5Very high97Very high0 Ų018.5 Ų18.50%09%0.089CC..Hα-helixtrans-63.5-41.4176.4-67.90000112.2I396 V397 L398 L403 I404 I435 L504I396-C400 PolarHBondContact O-N 3.29Å; I396-C400 PolarHBondContact O-SG 3.35Å; V397-C400 PolarHBondContact O-N 3.26Å; L398-C400 PolarHBondContact O-N 2.87Å; C400-L403 PolarHBondContact O-N 3.26Å; C400-I404 WeakPolarHBondContact O-CG1 3.44Å; C400-I404 PolarHBondContact O-N 2.93Å; C400-I435 HydrophobicContact CB-CD1 3.49Å; C400-I435 VanDerWaalsContact CB-CD1 3.49Å; C400-L504 HydrophobicContact CB-CD1 3.86Å; C400-L504 HydrophobicContact CB-CD2 4.37Å
401R98Very high97Very high12 Ų1219.1 Ų19.15%0.0459%0.092CC..Hα-helixtrans-72.8-29.7179.3-70.6-173.3-174.4-167.63.8113.1V397 L398 A399 I404 A405 L425 V426 L428 I435V397-R401 HydrophobicContact CG1-CG 4.31Å; V397-R401 WeakPolarHBondContact O-CB 3.49Å; V397-R401 WeakPolarHBondContact O-CG 3.26Å; V397-R401 PolarHBondContact O-N 2.89Å; L398-R401 PolarHBondContact O-N 3.2Å; A399-R401 PolarHBondContact O-N 3.38Å; R401-I404 PolarHBondContact O-N 2.61Å; R401-A405 WeakPolarHBondContact O-CB 3.41Å; R401-A405 PolarHBondContact O-N 3.38Å; R401-L425 HydrophobicContact CB-CB 4.39Å; R401-L425 HydrophobicContact CB-CD2 4.41Å; R401-L425 WeakPolarHBondContact CD-O 3.33Å; R401-L425 PolarHBondContact NH1-O 3.08Å; R401-V426 PolarHBondContact NH1-O 3.3Å; R401-L428 HydrophobicContact CB-CD2 4.17Å; R401-L428 WeakPolarHBondContact O-CD2 3.38Å; R401-I435 PolarHBondContact NH2-O 2.82Å
402H98Very high96.5Very high10 Ų1022.8 Ų22.85%0.04612%0.115CC..Hα-helixtrans-59.8-49.3169180112.5000110.2L398 A399 I404 A405 E406 I420 L425 Y532L398-H402 WeakPolarHBondContact O-CB 3.2Å; L398-H402 PolarHBondContact O-N 3.3Å; A399-H402 PolarHBondContact O-N 2.96Å; H402-I404 VanDerWaalsContact C-N 3.27Å; H402-I404 PolarHBondContact O-N 2.84Å; H402-A405 PolarHBondContact O-N 3.22Å; H402-E406 IonicContact CD2-OE1 2.86Å; H402-E406 IonicContact CD2-OE2 3.84Å; H402-E406 IonicContact NE2-OE1 3.07Å; H402-E406 PolarHBondContact NE2-OE1 2.82Å; H402-E406 PolarHBondContact O-N 3.44Å; H402-I420 WeakPolarHBondContact CE1-CD1 3.25Å; H402-L425 HydrophobicContact CB-CD1 4.16Å; H402-L425 HydrophobicContact CB-CD2 4.32Å; H402-Y532 HydrophobicContact CB-CE2 4.13Å; H402-Y532 AromaticContact ND1-CZ 3.99Å; H402-Y532 PolarHBondContact ND1-OH 3.01Å
403L96.9Very high95.6Very high5 Ų526.9 Ų26.93%0.02616%0.158CC..Hα-helixtrans-62-33.9176.1-66.4173.7000112.6A399 C400 E406 H407 L504 F520 K524 L525 L528A399-L403 PolarHBondContact O-N 3.48Å; C400-L403 PolarHBondContact O-N 3.26Å; L403-E406 WeakPolarHBondContact CD2-OE2 3.32Å; L403-H407 VanDerWaalsContact O-CB 3.22Å; L403-H407 WeakPolarHBondContact O-CB 3.38Å; L403-H407 PolarHBondContact O-N 2.91Å; L403-L504 HydrophobicContact CD1-CD2 3.7Å; L403-F520 HydrophobicContact CD1-CD2 3.68Å; L403-F520 HydrophobicContact CD1-CE2 4Å; L403-F520 HydrophobicContact CD1-CG 4.08Å; L403-F520 HydrophobicContact CD2-CB 3.9Å; L403-F520 HydrophobicContact CD2-CD2 4.5Å; L403-F520 HydrophobicContact CD2-CG 4.3Å; L403-K524 HydrophobicContact CD2-CD 3.97Å; L403-K524 HydrophobicContact CD2-CG 4.4Å; L403-L525 HydrophobicContact CD1-CB 4.24Å; L403-L525 HydrophobicContact CD1-CD1 3.93Å; L403-L528 HydrophobicContact CD1-CD1 4.49Å; L403-L528 HydrophobicContact CD2-CD1 3.79Å; L403-L528 HydrophobicContact CG-CD1 3.88Å
404I96.9Very high95Very high0 Ų033.3 Ų33.30%019%0.192CC..Hα-helixtrans-64.7-45.5171.9-67.7166.7000110.7C400 R401 H402 E406 H407 L408 L428 Y430 I435 V507 L508C400-I404 WeakPolarHBondContact O-CG1 3.44Å; C400-I404 PolarHBondContact O-N 2.93Å; R401-I404 PolarHBondContact O-N 2.61Å; H402-I404 VanDerWaalsContact C-N 3.27Å; H402-I404 PolarHBondContact O-N 2.84Å; I404-E406 PolarHBondContact O-N 3.41Å; I404-H407 PolarHBondContact O-N 3.44Å; I404-L408 HydrophobicContact CG2-CD1 3.67Å; I404-L408 HydrophobicContact CG2-CG 4.25Å; I404-L408 WeakPolarHBondContact O-CB 3.39Å; I404-L408 VanDerWaalsContact O-CG 3.24Å; I404-L408 WeakPolarHBondContact O-CG 3.47Å; I404-L408 PolarHBondContact O-N 3.21Å; I404-L428 HydrophobicContact CB-CD2 4.46Å; I404-L428 HydrophobicContact CG2-CD2 4.2Å; I404-Y430 HydrophobicContact CD1-CE1 4.4Å; I404-Y430 HydrophobicContact CD1-CE2 3.96Å; I404-Y430 HydrophobicContact CG2-CD1 4.2Å; I404-Y430 HydrophobicContact CG2-CD2 3.97Å; I404-Y430 HydrophobicContact CG2-CE1 4.45Å; I404-Y430 HydrophobicContact CG2-CE2 4.27Å; I404-Y430 HydrophobicContact CG2-CG 3.96Å; I404-I435 HydrophobicContact CD1-CD1 3.94Å; I404-V507 HydrophobicContact CD1-CG1 4.06Å; I404-L508 HydrophobicContact CB-CD2 4.15Å; I404-L508 HydrophobicContact CG1-CD2 3.58Å; I404-L508 HydrophobicContact CG1-CG 4.33Å
405A97.1Very high94.7Very high0 Ų035.5 Ų35.50%021%0.206CC..Hα-helixtrans-63.8-39.4179.600000112.1R401 H402 E409 I410 I411 L425 L428R401-A405 WeakPolarHBondContact O-CB 3.41Å; R401-A405 PolarHBondContact O-N 3.38Å; H402-A405 PolarHBondContact O-N 3.22Å; A405-E409 PolarHBondContact O-N 3.09Å; A405-I410 HydrophobicContact CB-CB 4.36Å; A405-I410 PolarHBondContact O-N 2.93Å; A405-I411 HydrophobicContact CB-CD1 3.85Å; A405-I411 HydrophobicContact CB-CG1 3.76Å; A405-I411 HydrophobicContact CB-CG2 4.34Å; A405-I411 PolarHBondContact O-N 3.42Å; A405-L425 HydrophobicContact CB-CD2 4.49Å; A405-L428 HydrophobicContact CB-CD1 4.3Å; A405-L428 HydrophobicContact CB-CD2 4.06Å
406E94.9Very high94.5Very high52 Ų5240.3 Ų40.324%0.24323%0.232CC..Hα-helixtrans-64.8-48.1172.9-67-176.4138.100111.4H402 L403 I404 L408 E409 I411 K524H402-E406 IonicContact CD2-OE1 2.86Å; H402-E406 IonicContact CD2-OE2 3.84Å; H402-E406 IonicContact NE2-OE1 3.07Å; H402-E406 PolarHBondContact NE2-OE1 2.82Å; H402-E406 PolarHBondContact O-N 3.44Å; L403-E406 WeakPolarHBondContact CD2-OE2 3.32Å; I404-E406 PolarHBondContact O-N 3.41Å; E406-L408 PolarHBondContact O-N 3.19Å; E406-E409 PolarHBondContact O-N 3.39Å; E406-I411 HydrophobicContact CB-CG1 4.47Å; E406-I411 HydrophobicContact CG-CD1 3.63Å; E406-I411 HydrophobicContact CG-CG1 3.89Å; E406-K524 IonicContact OE1-NZ 2.77Å; E406-K524 PolarHBondContact OE1-NZ 2.98Å; E406-K524 WeakPolarHBondContact OE2-CE 3.39Å; E406-K524 IonicContact OE2-NZ 3.2Å; E406-K524 PolarHBondContact OE2-NZ 2.9Å
407H93.9Very high94.4Very high28 Ų2841.2 Ų41.213%0.1324%0.235CC..Hα-helixtrans-64-28.4-178.2-176.555.6000113.4L403 I404 E409 L508 H512 N516 R517 P518L403-H407 VanDerWaalsContact O-CB 3.22Å; L403-H407 WeakPolarHBondContact O-CB 3.38Å; L403-H407 PolarHBondContact O-N 2.91Å; I404-H407 PolarHBondContact O-N 3.44Å; H407-E409 VanDerWaalsContact C-N 3.33Å; H407-L508 HydrophobicContact CB-CD2 3.71Å; H407-L508 PolarHBondContact CD2-O 3.25Å; H407-L508 PolarHBondContact NE2-O 3.31Å; H407-H512 AromaticContact NE2-CD2 3.72Å; H407-H512 AromaticContact NE2-CG 3.94Å; H407-N516 PolarHBondContact CE1-O 2.81Å; H407-N516 PolarHBondContact NE2-O 2.9Å; H407-R517 VanDerWaalsContact CE1-C 3.46Å; H407-R517 PolarHBondContact CE1-O 3.5Å; H407-P518 WeakPolarHBondContact CE1-CA 3.28Å; H407-P518 VanDerWaalsContact ND1-CA 3.34Å; H407-P518 WeakPolarHBondContact ND1-CA 3.29Å
408L95.1Very high94.2Very high36 Ų3645.3 Ų45.319%0.18826%0.263CS..THydrogen-bonded Turntrans-91.94.7175.2-62.4179.6000112.9I404 E406 I410 Y430 S511 H512I404-L408 HydrophobicContact CG2-CD1 3.67Å; I404-L408 HydrophobicContact CG2-CG 4.25Å; I404-L408 WeakPolarHBondContact O-CB 3.39Å; I404-L408 VanDerWaalsContact O-CG 3.24Å; I404-L408 WeakPolarHBondContact O-CG 3.47Å; I404-L408 PolarHBondContact O-N 3.21Å; E406-L408 PolarHBondContact O-N 3.19Å; L408-I410 HydrophobicContact CB-CD1 3.85Å; L408-I410 HydrophobicContact CB-CG1 3.81Å; L408-I410 HydrophobicContact CD1-CD1 3.95Å; L408-I410 PolarHBondContact O-N 2.9Å; L408-I410 VanDerWaalsContact O-N 3.09Å; L408-Y430 HydrophobicContact CD1-CG 4.46Å; L408-S511 WeakPolarHBondContact CD2-O 3.39Å; L408-H512 HydrophobicContact CD2-CB 4.05Å
409E93.8Very high94Very high171 Ų17150.5 Ų50.580%0.79929%0.291SS*.THydrogen-bonded Turntrans54.526.7-177.2-56.4178.5175.400113.3A405 E406 H407A405-E409 PolarHBondContact O-N 3.09Å; E406-E409 PolarHBondContact O-N 3.39Å; H407-E409 VanDerWaalsContact C-N 3.33Å
410I95.6Very high94Very high74 Ų7450.8 Ų50.838%0.37929%0.293SS..SBendtrans-73.3-38.2175.9-61.7171.8000109.6A405 L408 F424 L428A405-I410 HydrophobicContact CB-CB 4.36Å; A405-I410 PolarHBondContact O-N 2.93Å; L408-I410 HydrophobicContact CB-CD1 3.85Å; L408-I410 HydrophobicContact CB-CG1 3.81Å; L408-I410 HydrophobicContact CD1-CD1 3.95Å; L408-I410 PolarHBondContact O-N 2.9Å; L408-I410 VanDerWaalsContact O-N 3.09Å; I410-F424 HydrophobicContact CG2-CE2 4.41Å; I410-F424 HydrophobicContact CG2-CZ 3.85Å; I410-L428 HydrophobicContact CD1-CD1 3.92Å; I410-L428 HydrophobicContact CG2-CD1 4.3Å
411I93.9Very high93.9Very high14 Ų1453 Ų537%0.07231%0.308CS..SBendtrans-103.9123.9167.954.5178.2000108.4A405 E406 I420 F424A405-I411 HydrophobicContact CB-CD1 3.85Å; A405-I411 HydrophobicContact CB-CG1 3.76Å; A405-I411 HydrophobicContact CB-CG2 4.34Å; A405-I411 PolarHBondContact O-N 3.42Å; E406-I411 HydrophobicContact CB-CG1 4.47Å; E406-I411 HydrophobicContact CG-CD1 3.63Å; E406-I411 HydrophobicContact CG-CG1 3.89Å; I411-I420 HydrophobicContact CD1-CD1 3.67Å; I411-F424 HydrophobicContact CG2-CE1 3.77Å; I411-F424 HydrophobicContact CG2-CZ 3.99Å
412P87Confident93.9Very high76 Ų7652.4 Ų52.449%0.49431%0.306SS..  trans-54.5146.4172.8-28.735.7000112.1D414 T415P412-D414 WeakPolarHBondContact CB-OD1 3.31Å; P412-D414 PolarHBondContact O-N 3.04Å; P412-D414 VanDerWaalsContact O-N 3.1Å; P412-T415 VanDerWaalsContact CD-OG1 3.28Å; P412-T415 WeakPolarHBondContact CD-OG1 3.47Å; P412-T415 VanDerWaalsContact O-CB 3.25Å; P412-T415 WeakPolarHBondContact O-CB 3.25Å; P412-T415 PolarHBondContact O-N 2.89Å; P412-T415 PolarHBondContact O-OG1 3.41Å
413G78.1Confident93.8Very high87 Ų8754.6 Ų54.690%0.89732%0.316SS*.THydrogen-bonded Turntrans-64.7-13.5-177.200000115.2
414D85.8Confident93.9Very high135 Ų13558 Ų5872%0.72233%0.33SS*.THydrogen-bonded Turntrans-98.35.1174.663.8-23.3000113.6P412 N416P412-D414 WeakPolarHBondContact CB-OD1 3.31Å; P412-D414 PolarHBondContact O-N 3.04Å; P412-D414 VanDerWaalsContact O-N 3.1Å; D414-N416 PolarHBondContact O-N 3.17Å
415T91.7Very high93.9Very high46 Ų4658 Ų5828%0.28233%0.33SS..  trans-64.2124.6178.5-54.30000110.4P412 D419 I420P412-T415 VanDerWaalsContact CD-OG1 3.28Å; P412-T415 WeakPolarHBondContact CD-OG1 3.47Å; P412-T415 VanDerWaalsContact O-CB 3.25Å; P412-T415 WeakPolarHBondContact O-CB 3.25Å; P412-T415 PolarHBondContact O-N 2.89Å; P412-T415 PolarHBondContact O-OG1 3.41Å; T415-D419 HydrophobicContact CG2-CB 4.37Å; T415-I420 HydrophobicContact CG2-CD1 3.93Å; T415-I420 HydrophobicContact CG2-CG1 3.67Å
416N94.2Very high94Very high101 Ų10158.3 Ų58.354%0.5433%0.333SS..  trans-68.3141.2175.5-58.8-67.5000110.5D414 C418 D419D414-N416 PolarHBondContact O-N 3.17Å; N416-C418 PolarHBondContact O-N 2.98Å; N416-C418 VanDerWaalsContact O-N 3.09Å; N416-D419 WeakPolarHBondContact CB-OD2 3.31Å; N416-D419 PolarHBondContact ND2-OD2 3.17Å; N416-D419 WeakPolarHBondContact O-CB 3.32Å; N416-D419 PolarHBondContact O-N 3.18Å
417F96.3Very high94.1Very high18 Ų1859.7 Ų59.78%0.07934%0.342CS..G310 helixtrans-53.6-34.4177.3178.5-101.2000113.6H306 D419 I420 L528 Y532 R535H306-F417 HydrophobicContact CB-CD1 3.6Å; H306-F417 HydrophobicContact CB-CE1 3.86Å; H306-F417 HydrophobicContact CB-CG 4.2Å; H306-F417 VanDerWaalsContact CD2-CB 3.43Å; H306-F417 WeakPolarHBondContact CD2-CB 3.4Å; H306-F417 AromaticContact CD2-CD1 3.63Å; H306-F417 AromaticContact CD2-CD2 3.64Å; H306-F417 AromaticContact CD2-CG 3.28Å; H306-F417 WeakPolarHBondContact CD2-CG 3.3Å; H306-F417 AromaticContact CG-CD1 3.58Å; H306-F417 AromaticContact CG-CG 3.69Å; H306-F417 WeakPolarHBondContact NE2-CB 3.47Å; H306-F417 AromaticContact NE2-CG 3.78Å; F417-D419 PolarHBondContact O-N 2.74Å; F417-I420 PolarHBondContact O-N 2.7Å; F417-L528 HydrophobicContact CD2-CD2 4.29Å; F417-L528 HydrophobicContact CE2-CD2 4.13Å; F417-Y532 HydrophobicContact CE2-CD1 4.32Å; F417-Y532 HydrophobicContact CE2-CD2 4.18Å; F417-Y532 AromaticContact CE2-CE1 3.91Å; F417-Y532 HydrophobicContact CE2-CE1 3.91Å; F417-Y532 AromaticContact CE2-CE2 3.72Å; F417-Y532 HydrophobicContact CE2-CE2 3.72Å; F417-Y532 HydrophobicContact CE2-CG 4.42Å; F417-Y532 AromaticContact CE2-CZ 3.53Å; F417-Y532 HydrophobicContact CZ-CD1 4.07Å; F417-Y532 HydrophobicContact CZ-CD2 4.4Å; F417-Y532 HydrophobicContact CZ-CE1 4.03Å; F417-Y532 HydrophobicContact CZ-CE2 4.33Å; F417-Y532 HydrophobicContact CZ-CG 4.23Å; F417-R535 PolarHBondContact O-NH1 2.8Å
418C94.3Very high94.2Very high87 Ų8758.9 Ų58.959%0.58834%0.338SS*.G310 helixtrans-66.6-23.5178.657.50000114.1N416 I420N416-C418 PolarHBondContact O-N 2.98Å; N416-C418 VanDerWaalsContact O-N 3.09Å; C418-I420 VanDerWaalsContact C-N 3.32Å
419D96Very high94.1Very high109 Ų10964.6 Ų64.658%0.58336%0.364SS*.G310 helixtrans-86-11-176.5-57.5-27.9000111.7T415 N416 F417T415-D419 HydrophobicContact CG2-CB 4.37Å; N416-D419 WeakPolarHBondContact CB-OD2 3.31Å; N416-D419 PolarHBondContact ND2-OD2 3.17Å; N416-D419 WeakPolarHBondContact O-CB 3.32Å; N416-D419 PolarHBondContact O-N 3.18Å; F417-D419 PolarHBondContact O-N 2.74Å
420I97.2Very high94Very high6 Ų657.3 Ų57.33%0.03133%0.329CS..SBendtrans-94.6106.9179.9-55.7166.5000109.1H402 I411 T415 F417 C418 F424 L425 R535H402-I420 WeakPolarHBondContact CE1-CD1 3.25Å; I411-I420 HydrophobicContact CD1-CD1 3.67Å; T415-I420 HydrophobicContact CG2-CD1 3.93Å; T415-I420 HydrophobicContact CG2-CG1 3.67Å; F417-I420 PolarHBondContact O-N 2.7Å; C418-I420 VanDerWaalsContact C-N 3.32Å; I420-F424 HydrophobicContact CG2-CD1 4.04Å; I420-F424 HydrophobicContact CG2-CE1 4.44Å; I420-L425 HydrophobicContact CG2-CD1 3.86Å; I420-L425 HydrophobicContact CG2-CD2 4.06Å; I420-L425 HydrophobicContact CG2-CG 3.89Å; I420-R535 PolarHBondContact O-NH1 3.41Å; I420-R535 PolarHBondContact O-NH2 2.93Å
421S96.4Very high93.7Very high46 Ų4659.9 Ų59.932%0.32234%0.339SS..  trans-78.4152177.770.60000113E423 F424 L425S421-E423 VanDerWaalsContact C-N 3.33Å; S421-F424 PolarHBondContact O-N 2.81Å; S421-F424 VanDerWaalsContact OG-CB 3.25Å; S421-F424 WeakPolarHBondContact OG-CB 3.32Å; S421-F424 PolarHBondContact OG-N 3.11Å; S421-L425 PolarHBondContact O-N 3.48Å
422E97.9Very high93.5Very high0 Ų060.4 Ų60.40%035%0.348CS..Hα-helixtrans-64.7-40.5175.7-70.377.9178.400110.4L398 F424 L425 V426 R535 I536 R539 W551 L555L398-E422 HydrophobicContact CD1-CB 4.21Å; L398-E422 HydrophobicContact CD1-CG 3.67Å; L398-E422 HydrophobicContact CD2-CB 4.13Å; L398-E422 HydrophobicContact CD2-CG 4.38Å; E422-F424 VanDerWaalsContact C-N 3.33Å; E422-F424 PolarHBondContact O-N 3.4Å; E422-L425 PolarHBondContact O-N 3.33Å; E422-V426 WeakPolarHBondContact O-CB 3.43Å; E422-V426 WeakPolarHBondContact O-CG2 3.45Å; E422-V426 PolarHBondContact O-N 3.22Å; E422-R535 IonicContact OE1-CZ 3.6Å; E422-R535 IonicContact OE1-NE 3.86Å; E422-R535 PolarHBondContact OE1-NE 2.94Å; E422-R535 IonicContact OE1-NH2 2.71Å; E422-R535 PolarHBondContact OE1-NH2 3.28Å; E422-R535 IonicContact OE2-CZ 2.9Å; E422-R535 IonicContact OE2-NH2 3.84Å; E422-R535 PolarHBondContact OE2-NH2 3.37Å; E422-R535 VanDerWaalsContact OE2-NH2 3.12Å; E422-I536 HydrophobicContact CG-CG1 4.36Å; E422-R539 VanDerWaalsContact CD-NH1 3.26Å; E422-R539 IonicContact OE1-CZ 2.59Å; E422-R539 IonicContact OE1-NH1 2.8Å; E422-R539 IonicContact OE1-NH2 2.65Å; E422-R539 IonicContact OE2-CZ 3.95Å; E422-R539 IonicContact OE2-NH1 3.87Å; E422-R539 PolarHBondContact OE2-NH1 3.46Å; E422-R539 IonicContact OE2-NH2 2.72Å; E422-R539 PolarHBondContact OE2-NH2 2.79Å; E422-W551 HydrophobicContact CB-CH2 4.44Å; E422-W551 HydrophobicContact CB-CZ2 4.04Å; E422-W551 HydrophobicContact CG-CH2 4.16Å; E422-W551 HydrophobicContact CG-CZ2 4.23Å; E422-L555 HydrophobicContact CB-CD1 3.74Å
423E97.8Very high93.8Very high55 Ų5557.3 Ų57.326%0.25733%0.328SS..Hα-helixtrans-57.6-45.2175.4-66.182.5172.600111.4S421 L425 V426 D427 W551 L555S421-E423 VanDerWaalsContact C-N 3.33Å; E423-L425 VanDerWaalsContact C-N 3.33Å; E423-L425 PolarHBondContact O-N 3.18Å; E423-V426 PolarHBondContact O-N 3.38Å; E423-D427 WeakPolarHBondContact O-CB 3.42Å; E423-D427 PolarHBondContact O-N 3.43Å; E423-W551 PolarHBondContact OE1-NE1 3.3Å; E423-L555 HydrophobicContact CG-CD2 4.19Å
424F97.8Very high94.7Very high76 Ų7654.5 Ų54.533%0.33329%0.291SS..Hα-helixtrans-58.2-45.7176.8164.6-101.4000111.5I410 I411 I420 S421 E422 D427 L428I410-F424 HydrophobicContact CG2-CE2 4.41Å; I410-F424 HydrophobicContact CG2-CZ 3.85Å; I411-F424 HydrophobicContact CG2-CE1 3.77Å; I411-F424 HydrophobicContact CG2-CZ 3.99Å; I420-F424 HydrophobicContact CG2-CD1 4.04Å; I420-F424 HydrophobicContact CG2-CE1 4.44Å; S421-F424 PolarHBondContact O-N 2.81Å; S421-F424 VanDerWaalsContact OG-CB 3.25Å; S421-F424 WeakPolarHBondContact OG-CB 3.32Å; S421-F424 PolarHBondContact OG-N 3.11Å; E422-F424 VanDerWaalsContact C-N 3.33Å; E422-F424 PolarHBondContact O-N 3.4Å; F424-D427 CarbonylContact O-C 3.55Å; F424-D427 PolarHBondContact O-N 2.86Å; F424-L428 HydrophobicContact CE1-CD1 4.35Å; F424-L428 HydrophobicContact CE2-CD1 4.33Å; F424-L428 HydrophobicContact CZ-CD1 3.89Å; F424-L428 WeakPolarHBondContact O-CA 3.47Å; F424-L428 PolarHBondContact O-N 3.44Å
425L98.2Very high95.2Very high0 Ų048.1 Ų48.10%026%0.257CS..Hα-helixtrans-70.2-36.4178.6-66175.6000112.4L398 R401 H402 A405 I420 S421 E422 E423 D427 L428 Y532L398-L425 HydrophobicContact CB-CD1 4.36Å; L398-L425 HydrophobicContact CD2-CB 3.64Å; L398-L425 HydrophobicContact CD2-CD1 4.12Å; R401-L425 HydrophobicContact CB-CB 4.39Å; R401-L425 HydrophobicContact CB-CD2 4.41Å; R401-L425 WeakPolarHBondContact CD-O 3.33Å; R401-L425 PolarHBondContact NH1-O 3.08Å; H402-L425 HydrophobicContact CB-CD1 4.16Å; H402-L425 HydrophobicContact CB-CD2 4.32Å; A405-L425 HydrophobicContact CB-CD2 4.49Å; I420-L425 HydrophobicContact CG2-CD1 3.86Å; I420-L425 HydrophobicContact CG2-CD2 4.06Å; I420-L425 HydrophobicContact CG2-CG 3.89Å; S421-L425 PolarHBondContact O-N 3.48Å; E422-L425 PolarHBondContact O-N 3.33Å; E423-L425 VanDerWaalsContact C-N 3.33Å; E423-L425 PolarHBondContact O-N 3.18Å; L425-D427 VanDerWaalsContact C-N 3.32Å; L425-L428 VanDerWaalsContact O-CB 3.31Å; L425-L428 WeakPolarHBondContact O-CB 3.22Å; L425-L428 PolarHBondContact O-N 3Å; L425-Y532 HydrophobicContact CD1-CE1 3.75Å; L425-Y532 HydrophobicContact CD1-CE2 4.39Å; L425-Y532 WeakPolarHBondContact CD1-OH 3.35Å
426V97.7Very high95.4Very high8 Ų846.6 Ų46.65%0.04825%0.247CC..Hα-helixtrans-66.2-34.8175.5167.50000111.6L394 L398 R401 E422 E423 L555 K558L394-V426 HydrophobicContact CD1-CG2 4.26Å; L398-V426 HydrophobicContact CD2-CG2 3.93Å; R401-V426 PolarHBondContact NH1-O 3.3Å; E422-V426 WeakPolarHBondContact O-CB 3.43Å; E422-V426 WeakPolarHBondContact O-CG2 3.45Å; E422-V426 PolarHBondContact O-N 3.22Å; E423-V426 PolarHBondContact O-N 3.38Å; V426-L555 HydrophobicContact CB-CD2 4.32Å; V426-L555 HydrophobicContact CG1-CD2 4.19Å; V426-L555 HydrophobicContact CG2-CB 4.14Å; V426-L555 HydrophobicContact CG2-CD1 4.47Å; V426-L555 HydrophobicContact CG2-CD2 4.15Å; V426-L555 HydrophobicContact CG2-CG 4.48Å; V426-K558 HydrophobicContact CG1-CB 3.58Å; V426-K558 HydrophobicContact CG1-CD 3.59Å; V426-K558 HydrophobicContact CG1-CG 4.27Å
427D96.6Very high95.5Very high80 Ų8041.8 Ų41.843%0.42822%0.221SC..THydrogen-bonded Turntrans-96.85.1179.4-64.9-30000112.8E423 F424 L425 Q429 K558E423-D427 WeakPolarHBondContact O-CB 3.42Å; E423-D427 PolarHBondContact O-N 3.43Å; F424-D427 CarbonylContact O-C 3.55Å; F424-D427 PolarHBondContact O-N 2.86Å; L425-D427 VanDerWaalsContact C-N 3.32Å; D427-Q429 PolarHBondContact O-N 2.95Å; D427-Q429 VanDerWaalsContact O-N 3.17Å; D427-K558 VanDerWaalsContact CG-NZ 3.31Å; D427-K558 IonicContact OD1-NZ 3.96Å; D427-K558 PolarHBondContact OD1-NZ 2.84Å; D427-K558 IonicContact OD2-NZ 3.3Å; D427-K558 PolarHBondContact OD2-NZ 3Å
428L96.2Very high95.3Very high11 Ų1143 Ų436%0.05823%0.226CC..  trans-55.6117.2-178.1-174.970.5000112.1R401 I404 A405 I410 F424 L425 Y430R401-L428 HydrophobicContact CB-CD2 4.17Å; R401-L428 WeakPolarHBondContact O-CD2 3.38Å; I404-L428 HydrophobicContact CB-CD2 4.46Å; I404-L428 HydrophobicContact CG2-CD2 4.2Å; A405-L428 HydrophobicContact CB-CD1 4.3Å; A405-L428 HydrophobicContact CB-CD2 4.06Å; I410-L428 HydrophobicContact CD1-CD1 3.92Å; I410-L428 HydrophobicContact CG2-CD1 4.3Å; F424-L428 HydrophobicContact CE1-CD1 4.35Å; F424-L428 HydrophobicContact CE2-CD1 4.33Å; F424-L428 HydrophobicContact CZ-CD1 3.89Å; F424-L428 WeakPolarHBondContact O-CA 3.47Å; F424-L428 PolarHBondContact O-N 3.44Å; L425-L428 VanDerWaalsContact O-CB 3.31Å; L425-L428 WeakPolarHBondContact O-CB 3.22Å; L425-L428 PolarHBondContact O-N 3Å; L428-Y430 HydrophobicContact CD2-CD1 4.06Å; L428-Y430 HydrophobicContact CD2-CE1 4.37Å; L428-Y430 HydrophobicContact CG-CD1 4.01Å; L428-Y430 WeakPolarHBondContact O-CD1 3.38Å
429Q93Very high95.1Very high157 Ų15739.3 Ų39.373%0.73420%0.2SC*.  trans-93.3130.6174.9-62.2-63.8-7.700110.6D427D427-Q429 PolarHBondContact O-N 2.95Å; D427-Q429 VanDerWaalsContact O-N 3.17Å
430Y92.4Very high94.5Very high17 Ų1734.2 Ų34.27%0.06717%0.173CC..  trans-159.6156.5178.961.3-83.1000110I404 L408 L428 P433 K434 S511I404-Y430 HydrophobicContact CD1-CE1 4.4Å; I404-Y430 HydrophobicContact CD1-CE2 3.96Å; I404-Y430 HydrophobicContact CG2-CD1 4.2Å; I404-Y430 HydrophobicContact CG2-CD2 3.97Å; I404-Y430 HydrophobicContact CG2-CE1 4.45Å; I404-Y430 HydrophobicContact CG2-CE2 4.27Å; I404-Y430 HydrophobicContact CG2-CG 3.96Å; L408-Y430 HydrophobicContact CD1-CG 4.46Å; L428-Y430 HydrophobicContact CD2-CD1 4.06Å; L428-Y430 HydrophobicContact CD2-CE1 4.37Å; L428-Y430 HydrophobicContact CG-CD1 4.01Å; L428-Y430 WeakPolarHBondContact O-CD1 3.38Å; Y430-P433 VanDerWaalsContact CE2-O 3.31Å; Y430-P433 WeakPolarHBondContact CE2-O 3.47Å; Y430-K434 HydrophobicContact CE1-CD 4.11Å; Y430-K434 HydrophobicContact CE2-CD 4.2Å; Y430-K434 PolarHBondContact O-NZ 2.78Å; Y430-S511 VanDerWaalsContact CD2-OG 3.25Å; Y430-S511 WeakPolarHBondContact CD2-OG 3.42Å; Y430-S511 WeakPolarHBondContact CE2-OG 3.42Å
431H89.2Confident94Very high128 Ų12834.6 Ų34.659%0.59318%0.176SC*.SBendtrans-76163.7174.7-71.1-72.5000111.8S511H431-S511 VanDerWaalsContact O-CA 3.22Å; H431-S511 WeakPolarHBondContact O-CA 3.29Å; H431-S511 WeakPolarHBondContact O-CB 3.44Å; H431-S511 PolarHBondContact O-OG 2.85Å
432G90.8Very high93.9Very high25 Ų2533.2 Ų33.226%0.25816%0.164SC..SBendtrans83.6-169.6178.800000114N448G432-N448 WeakPolarHBondContact O-CB 3.38Å
433P93.2Very high93.8Very high11 Ų1133.2 Ų33.27%0.07116%0.164CC..PPolyproline II helixtrans-72.2148.9-168.729.6-34.2000112.4Y430 V445 V446 I467 V507 K510Y430-P433 VanDerWaalsContact CE2-O 3.31Å; Y430-P433 WeakPolarHBondContact CE2-O 3.47Å; P433-V445 HydrophobicContact CB-CG1 3.59Å; P433-V445 HydrophobicContact CG-CG1 4.11Å; P433-V446 CarbonylContact C-O 3.55Å; P433-V446 VanDerWaalsContact CA-O 3.27Å; P433-V446 WeakPolarHBondContact CA-O 3.14Å; P433-V446 WeakPolarHBondContact CB-O 3.48Å; P433-I467 HydrophobicContact CB-CD1 3.57Å; P433-I467 HydrophobicContact CG-CD1 4.45Å; P433-V507 HydrophobicContact CG-CG1 4.25Å; P433-V507 HydrophobicContact CG-CG2 4.44Å; P433-K510 HydrophobicContact CG-CB 4.04Å
434K95.1Very high93.7Very high29 Ų2932.3 Ų32.313%0.12616%0.159CC..EExtended strand (participates in β ladder)trans-97.2143.4-178.2-60.7-58.5-178.6-177.80111.8Y430 L436 V445 V446 N448Y430-K434 HydrophobicContact CE1-CD 4.11Å; Y430-K434 HydrophobicContact CE2-CD 4.2Å; Y430-K434 PolarHBondContact O-NZ 2.78Å; K434-L436 HydrophobicContact CB-CD1 4.31Å; K434-L436 HydrophobicContact CB-CG 4.17Å; K434-V445 CarbonylContact O-C 3.51Å; K434-V445 WeakPolarHBondContact O-CA 3.34Å; K434-V446 PolarHBondContact N-O 3.48Å; K434-V446 PolarHBondContact O-N 3.45Å; K434-N448 WeakPolarHBondContact CE-ND2 3.31Å; K434-N448 HydrophobicContact CG-CB 4.27Å
435I96.8Very high93.6Very high0 Ų028.7 Ų28.70%014%0.143CC..EExtended strand (participates in β ladder)trans-96.1116.2171.5-56176.2000108.2V397 C400 R401 I404 I443 L470 L504 V507V397-I435 HydrophobicContact CG2-CG2 4.25Å; C400-I435 HydrophobicContact CB-CD1 3.49Å; C400-I435 VanDerWaalsContact CB-CD1 3.49Å; R401-I435 PolarHBondContact NH2-O 2.82Å; I404-I435 HydrophobicContact CD1-CD1 3.94Å; I435-I443 HydrophobicContact CG2-CG2 3.41Å; I435-I443 VanDerWaalsContact CG2-CG2 3.41Å; I435-L470 HydrophobicContact CD1-CD2 3.92Å; I435-L470 HydrophobicContact CG1-CD2 4.17Å; I435-L470 HydrophobicContact CG2-CD2 3.82Å; I435-L504 HydrophobicContact CD1-CD1 3.72Å; I435-V507 HydrophobicContact CD1-CG1 4.08Å; I435-V507 HydrophobicContact CG1-CG1 4.09Å
436L96.4Very high93.3Very high14 Ų1428.8 Ų28.87%0.07314%0.143CC..EExtended strand (participates in β ladder)trans-135.2155.3-174.2-61.9175000111.8K434 Y444 V446 C559 I561K434-L436 HydrophobicContact CB-CD1 4.31Å; K434-L436 HydrophobicContact CB-CG 4.17Å; L436-Y444 PolarHBondContact N-O 2.96Å; L436-Y444 PolarHBondContact O-N 3.38Å; L436-V446 HydrophobicContact CD1-CB 4.22Å; L436-V446 HydrophobicContact CD1-CG1 4.47Å; L436-V446 HydrophobicContact CD1-CG2 4.2Å; L436-C559 CarbonylContact C-O 3.56Å; L436-C559 WeakPolarHBondContact CA-O 3.17Å; L436-C559 WeakPolarHBondContact CD2-O 3.35Å; L436-I561 HydrophobicContact CB-CG2 3.45Å; L436-I561 VanDerWaalsContact CB-CG2 3.45Å; L436-I561 HydrophobicContact CD1-CG2 3.82Å; L436-I561 HydrophobicContact CG-CG2 4.28Å
437I96.3Very high92.9Very high0 Ų032.8 Ų32.80%016%0.162CC..EExtended strand (participates in β ladder)trans-92.1134-176.9-52.8173.5000109.6A393 V397 Y556 C559 W560 I561A393-I437 HydrophobicContact CB-CD1 4.26Å; A393-I437 HydrophobicContact CB-CG2 4.22Å; V397-I437 HydrophobicContact CG2-CD1 4.02Å; V397-I437 HydrophobicContact CG2-CG1 3.61Å; I437-Y556 HydrophobicContact CB-CE2 4.44Å; I437-Y556 HydrophobicContact CD1-CD2 3.59Å; I437-Y556 HydrophobicContact CD1-CE2 3.65Å; I437-Y556 HydrophobicContact CD1-CG 4.29Å; I437-Y556 HydrophobicContact CG2-CE1 4.46Å; I437-Y556 HydrophobicContact CG2-CE2 3.68Å; I437-Y556 VanDerWaalsContact CG2-OH 3.27Å; I437-Y556 WeakPolarHBondContact CG2-OH 3Å; I437-C559 HydrophobicContact CD1-CB 4.09Å; I437-C559 HydrophobicContact CG1-CB 4.36Å; I437-C559 PolarHBondContact N-O 3.44Å; I437-W560 HydrophobicContact CB-CB 4.3Å; I437-W560 CarbonylContact O-C 3.48Å; I437-W560 WeakPolarHBondContact O-CA 3.04Å; I437-W560 WeakPolarHBondContact O-CB 3.49Å; I437-I561 PolarHBondContact O-N 3.14Å
438K91.7Very high92.2Very high43 Ų4331.3 Ų31.319%0.18715%0.154CC..EExtended strand (participates in β ladder)trans-106.3110.8164.9-172.1-170.6-172.3-1600107.5N441 D442 Y444 I561 H562 M627K438-N441 PolarHBondContact O-N 3.4Å; K438-D442 HydrophobicContact CB-CB 4.2Å; K438-D442 PolarHBondContact N-O 3.32Å; K438-D442 PolarHBondContact O-N 3.03Å; K438-D442 VanDerWaalsContact O-N 3.1Å; K438-Y444 HydrophobicContact CB-CD2 3.52Å; K438-Y444 HydrophobicContact CB-CE2 3.72Å; K438-Y444 HydrophobicContact CD-CD2 3.91Å; K438-Y444 HydrophobicContact CD-CE2 3.33Å; K438-Y444 HydrophobicContact CG-CD2 4.37Å; K438-Y444 HydrophobicContact CG-CE2 4.17Å; K438-I561 HydrophobicContact CB-CD1 3.87Å; K438-I561 HydrophobicContact CB-CG1 4.32Å; K438-I561 HydrophobicContact CD-CD1 4.33Å; K438-I561 HydrophobicContact CG-CD1 3.82Å; K438-I561 HydrophobicContact CG-CG1 4.4Å; K438-H562 WeakPolarHBondContact CA-NE2 3.33Å; K438-M627 HydrophobicContact CD-CE 3.56Å; K438-M627 HydrophobicContact CG-CE 3.58Å
439W89.6Confident90.5Very high10 Ų1035.2 Ų35.24%0.03817%0.174CC..THydrogen-bonded Turntrans-56.3139.1179.8177.397000109.7H390 H562 G603 L605 P620 M627H390-W439 AromaticContact NE2-CD1 3.63Å; H390-W439 AromaticContact NE2-NE1 3.48Å; H390-W439 PolarHBondContact NE2-NE1 3.07Å; W439-H562 PolarHBondContact N-CD2 3.37Å; W439-H562 PolarHBondContact N-NE2 3.48Å; W439-G603 PolarHBondContact NE1-O 2.95Å; W439-L605 HydrophobicContact CZ2-CB 4.4Å; W439-P620 HydrophobicContact CH2-CB 3.53Å; W439-P620 HydrophobicContact CH2-CG 3.95Å; W439-P620 HydrophobicContact CZ2-CB 4.18Å; W439-P620 HydrophobicContact CZ2-CG 4.14Å; W439-P620 HydrophobicContact CZ3-CB 4.23Å; W439-M627 WeakPolarHBondContact O-CE 3.48Å
440P83.5Confident88.6Confident3 Ų334.7 Ų34.72%0.01918%0.176CC..THydrogen-bonded Turncis-95.6-167.230.2-28.3000116.2Q389 M627Q389-P440 VanDerWaalsContact NE2-CB 3.34Å; P440-M627 WeakPolarHBondContact CD-SD 3.43Å
441N87.5Confident86.2Confident14 Ų1438.1 Ų38.18%0.07520%0.202CC..THydrogen-bonded Turntrans-148.79.7-159.969.5-58.6000115K438 V473K438-N441 PolarHBondContact O-N 3.4Å; N441-V473 HydrophobicContact CB-CB 4.35Å; N441-V473 PolarHBondContact ND2-O 3.02Å; N441-V473 PolarHBondContact O-N 3Å
442D93.7Very high83.3Confident16 Ų1636.7 Ų36.79%0.08621%0.205CC..EExtended strand (participates in β ladder)trans-114146.1-175-68.8-18.3000111.6K438 Y444 K469K438-D442 HydrophobicContact CB-CB 4.2Å; K438-D442 PolarHBondContact N-O 3.32Å; K438-D442 PolarHBondContact O-N 3.03Å; K438-D442 VanDerWaalsContact O-N 3.1Å; D442-Y444 HydrophobicContact CB-CD2 3.98Å; D442-Y444 HydrophobicContact CB-CE2 3.51Å; D442-K469 WeakPolarHBondContact OD1-CE 3.45Å; D442-K469 IonicContact OD1-NZ 3.7Å; D442-K469 PolarHBondContact OD1-NZ 3.5Å; D442-K469 IonicContact OD2-NZ 2.7Å; D442-K469 PolarHBondContact OD2-NZ 2.7Å
443I97Very high80.5Confident0 Ų042.7 Ų42.70%023%0.231CC..EExtended strand (participates in β ladder)trans-118.7129.5174.3-5988000107.9A393 I396 V397 I435 L470 A471 V473A393-I443 HydrophobicContact CB-CD1 4.19Å; I396-I443 HydrophobicContact CB-CD1 4.32Å; I396-I443 HydrophobicContact CD1-CD1 3.97Å; I396-I443 HydrophobicContact CG2-CD1 4.16Å; I396-I443 HydrophobicContact CG2-CG1 4.24Å; V397-I443 HydrophobicContact CG2-CG1 4.32Å; V397-I443 HydrophobicContact CG2-CG2 4.14Å; I435-I443 HydrophobicContact CG2-CG2 3.41Å; I435-I443 VanDerWaalsContact CG2-CG2 3.41Å; I443-L470 HydrophobicContact CG2-CB 4.39Å; I443-L470 HydrophobicContact CG2-CD2 4.31Å; I443-L470 PolarHBondContact O-N 3.46Å; I443-A471 HydrophobicContact CB-CB 4.06Å; I443-A471 HydrophobicContact CD1-CB 3.95Å; I443-A471 HydrophobicContact CG1-CB 4.48Å; I443-A471 PolarHBondContact N-O 3.08Å; I443-A471 PolarHBondContact O-N 2.95Å; I443-A471 VanDerWaalsContact O-N 3.1Å; I443-V473 HydrophobicContact CD1-CG2 4.29Å
444Y95.5Very high77.5Confident36 Ų3650.1 Ų50.114%0.14127%0.27CS..EExtended strand (participates in β ladder)trans-122.6154-175.3-79.8-94.1000111.3L436 K438 D442 I466 G468 K469L436-Y444 PolarHBondContact N-O 2.96Å; L436-Y444 PolarHBondContact O-N 3.38Å; K438-Y444 HydrophobicContact CB-CD2 3.52Å; K438-Y444 HydrophobicContact CB-CE2 3.72Å; K438-Y444 HydrophobicContact CD-CD2 3.91Å; K438-Y444 HydrophobicContact CD-CE2 3.33Å; K438-Y444 HydrophobicContact CG-CD2 4.37Å; K438-Y444 HydrophobicContact CG-CE2 4.17Å; D442-Y444 HydrophobicContact CB-CD2 3.98Å; D442-Y444 HydrophobicContact CB-CE2 3.51Å; Y444-I466 HydrophobicContact CD1-CG2 3.26Å; Y444-I466 HydrophobicContact CE1-CG2 3.81Å; Y444-I466 HydrophobicContact CG-CG2 4.12Å; Y444-G468 WeakPolarHBondContact CA-O 3.5Å; Y444-G468 WeakPolarHBondContact CD1-O 3.41Å; Y444-K469 HydrophobicContact CD1-CB 4.04Å; Y444-K469 HydrophobicContact CE1-CB 3.67Å; Y444-K469 HydrophobicContact CE1-CG 4.22Å; Y444-K469 HydrophobicContact CE2-CD 4.45Å; Y444-K469 HydrophobicContact CE2-CG 4.28Å
445V95.2Very high74.6Confident0 Ų056.8 Ų56.80%030%0.302CS..EExtended strand (participates in β ladder)trans-98.7134168.1-173.70000108.4P433 K434 I467 G468 L470 I502 V507P433-V445 HydrophobicContact CB-CG1 3.59Å; P433-V445 HydrophobicContact CG-CG1 4.11Å; K434-V445 CarbonylContact O-C 3.51Å; K434-V445 WeakPolarHBondContact O-CA 3.34Å; V445-I467 HydrophobicContact CB-CB 4.37Å; V445-I467 HydrophobicContact CG1-CB 4.35Å; V445-I467 HydrophobicContact CG1-CD1 3.79Å; V445-I467 PolarHBondContact O-N 3.22Å; V445-G468 PolarHBondContact N-O 2.82Å; V445-G468 PolarHBondContact O-N 3.41Å; V445-L470 HydrophobicContact CG2-CB 3.96Å; V445-L470 HydrophobicContact CG2-CD1 4.28Å; V445-L470 HydrophobicContact CG2-CD2 4.35Å; V445-L470 HydrophobicContact CG2-CG 4.43Å; V445-I502 HydrophobicContact CB-CD1 3.9Å; V445-I502 HydrophobicContact CB-CG2 4.2Å; V445-I502 HydrophobicContact CG1-CD1 3.83Å; V445-I502 HydrophobicContact CG2-CD1 3.99Å; V445-I502 HydrophobicContact CG2-CG1 4.2Å; V445-I502 HydrophobicContact CG2-CG2 3.67Å; V445-V507 HydrophobicContact CB-CG2 4.42Å; V445-V507 HydrophobicContact CG1-CG2 3.76Å; V445-V507 HydrophobicContact CG2-CG2 3.7Å
446V92.7Very high71.6Confident2 Ų262.8 Ų62.81%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-128.7140.8-175.1169.60000110P433 K434 L436 Q464 N465 I466 I561P433-V446 CarbonylContact C-O 3.55Å; P433-V446 VanDerWaalsContact CA-O 3.27Å; P433-V446 WeakPolarHBondContact CA-O 3.14Å; P433-V446 WeakPolarHBondContact CB-O 3.48Å; K434-V446 PolarHBondContact N-O 3.48Å; K434-V446 PolarHBondContact O-N 3.45Å; L436-V446 HydrophobicContact CD1-CB 4.22Å; L436-V446 HydrophobicContact CD1-CG1 4.47Å; L436-V446 HydrophobicContact CD1-CG2 4.2Å; V446-Q464 HydrophobicContact CG1-CB 3.42Å; V446-Q464 VanDerWaalsContact CG1-CB 3.42Å; V446-Q464 HydrophobicContact CG1-CG 3.61Å; V446-N465 WeakPolarHBondContact CA-O 3.4Å; V446-I466 HydrophobicContact CG2-CG1 4.34Å; V446-I561 HydrophobicContact CG2-CG2 4.06Å
447E89.5Confident68.8Low93 Ų9368.6 Ų68.644%0.43537%0.37SS..  trans-65.2136.4173.3-68.1-177.4158.600111.7I449 N465 I467E447-I449 HydrophobicContact CB-CG1 4.42Å; E447-I449 PolarHBondContact O-N 2.75Å; E447-N465 HydrophobicContact CB-CB 4.13Å; E447-N465 HydrophobicContact CG-CB 4.13Å; E447-N465 PolarHBondContact N-O 2.67Å; E447-N465 WeakPolarHBondContact OE2-CB 3.35Å; E447-N465 PolarHBondContact OE2-ND2 3.41Å; E447-I467 HydrophobicContact CB-CD1 4.46Å; E447-I467 HydrophobicContact CG-CD1 3.62Å; E447-I467 HydrophobicContact CG-CG1 3.57Å
448N81Confident65.9Low49 Ų4976.5 Ų76.526%0.26241%0.412SS..  trans-88.397172.2-172.28.3000109.4G432 K434 N450G432-N448 WeakPolarHBondContact O-CB 3.38Å; K434-N448 WeakPolarHBondContact CE-ND2 3.31Å; K434-N448 HydrophobicContact CG-CB 4.27Å; N448-N450 PolarHBondContact O-N 3.46Å
449I61.1Low63.3Low92 Ų9279.6 Ų79.647%0.47244%0.439SS..  trans-76.8-8-174.1-61172.1000112.3E447 C451E447-I449 HydrophobicContact CB-CG1 4.42Å; E447-I449 PolarHBondContact O-N 2.75Å; I449-C451 PolarHBondContact O-N 3.4Å
450N52.8Low60.6Low146 Ų14684.6 Ų84.678%0.78147%0.471SS*.THydrogen-bonded Turntrans-78.331.2-171.2-72.6-3.1000116N448N448-N450 PolarHBondContact O-N 3.46Å
451C40.7Very low58.6Low90 Ų9091.2 Ų91.261%0.60851%0.505SS*.THydrogen-bonded Turntrans-118.32.7173.2-66.30000114.6I449I449-C451 PolarHBondContact O-N 3.4Å
452C30Very low56.5Low98 Ų9893.8 Ų93.866%0.66252%0.519SS*.SBendtrans-137.3110.6-179-44.40000110.5
453N31.1Very low54.5Low150 Ų150101.2 Ų101.280%0.80255%0.553SS**  trans92.6100.7164.9-49.3-23000117.5Q455N453-Q455 VanDerWaalsContact C-N 3.32Å; N453-Q455 PolarHBondContact O-N 2.81Å
454N31.2Very low52.8Low167 Ų167105.2 Ų105.289%0.89357%0.572SS**  trans-64.689.2151.8-73.1-29000108.8
455Q33.2Very low52.1Low169 Ų169107.4 Ų107.479%0.7959%0.586SS**  trans-165.9124.8162-104.21533700109.1N453N453-Q455 VanDerWaalsContact C-N 3.32Å; N453-Q455 PolarHBondContact O-N 2.81Å
456D33.6Very low51.7Low127 Ų127111.3 Ų111.368%0.67961%0.606SS**  trans69.887.3171.7-56.8-27.6000118.4D458 T460D456-D458 VanDerWaalsContact C-N 3.33Å; D456-D458 PolarHBondContact O-N 2.87Å; D456-T460 PolarHBondContact O-OG1 2.85Å
457V37Very low51.5Low136 Ų136114.5 Ų114.582%0.82462%0.622SS**THydrogen-bonded Turntrans-79-4.3-177.5179.20000114
458D36.1Very low51.6Low166 Ų166110.6 Ų110.689%0.88861%0.607SS**THydrogen-bonded Turntrans-111.812.7-166.5-86.3-25.6000117.2D456D456-D458 VanDerWaalsContact C-N 3.33Å; D456-D458 PolarHBondContact O-N 2.87Å
459S36.5Very low52.2Low107 Ų107110.4 Ų110.475%0.74860%0.604SS**SBendtrans-152.53.5178.550.90000119
460T34.6Very low53.8Low115 Ų115106 Ų10671%0.70658%0.581SS**  trans-117.421.7-164.542.30000116.3D456 L462D456-T460 PolarHBondContact O-OG1 2.85Å; T460-L462 PolarHBondContact O-N 2.97Å
461L39.7Very low56Low142 Ų14299.1 Ų99.174%0.74354%0.544SS*.  trans-813.2-175.7-86.5169.7000117.2
462L45.1Very low58.6Low69 Ų6995.2 Ų95.236%0.36152%0.519SS..SBendtrans-133.819.5-157.2-75.9172000119.7T460 T563 N564 Q565T460-L462 PolarHBondContact O-N 2.97Å; L462-T563 WeakPolarHBondContact CD2-O 3.41Å; L462-N564 HydrophobicContact CD1-CB 4.08Å; L462-N564 WeakPolarHBondContact CD1-O 3.48Å; L462-Q565 HydrophobicContact CD2-CB 4.41Å; L462-Q565 HydrophobicContact CD2-CG 3.58Å
463Q50.2Low61.8Low171 Ų17190.7 Ų90.780%0.79949%0.488SS*.  trans-130.271.5155.9-81.7-176.8-13.700109.7N465Q463-N465 PolarHBondContact O-N 2.9Å; Q463-N465 VanDerWaalsContact O-N 3.1Å
464Q62.7Low64.8Low85 Ų8584.6 Ų84.640%0.39746%0.456SS..  trans-52114.3159.7-90.9-1763.300109V446 I466V446-Q464 HydrophobicContact CG1-CB 3.42Å; V446-Q464 VanDerWaalsContact CG1-CB 3.42Å; V446-Q464 HydrophobicContact CG1-CG 3.61Å; Q464-I466 PolarHBondContact O-N 3.09Å
465N80.5Confident67.8Low82 Ų8278.9 Ų78.944%0.43943%0.427SS..  trans-66105.9178.2-80-15.3000109.2V446 E447 Q463 I467V446-N465 WeakPolarHBondContact CA-O 3.4Å; E447-N465 HydrophobicContact CB-CB 4.13Å; E447-N465 HydrophobicContact CG-CB 4.13Å; E447-N465 PolarHBondContact N-O 2.67Å; E447-N465 WeakPolarHBondContact OE2-CB 3.35Å; E447-N465 PolarHBondContact OE2-ND2 3.41Å; Q463-N465 PolarHBondContact O-N 2.9Å; Q463-N465 VanDerWaalsContact O-N 3.1Å; N465-I467 PolarHBondContact O-N 3.22Å
466I86.3Confident70.7Confident82 Ų8276.9 Ų76.942%0.42141%0.412SS..EExtended strand (participates in β ladder)trans-71.2114.8175.3-62.4176.8000108.1Y444 V446 Q464 I561Y444-I466 HydrophobicContact CD1-CG2 3.26Å; Y444-I466 HydrophobicContact CE1-CG2 3.81Å; Y444-I466 HydrophobicContact CG-CG2 4.12Å; V446-I466 HydrophobicContact CG2-CG1 4.34Å; Q464-I466 PolarHBondContact O-N 3.09Å; I466-I561 HydrophobicContact CD1-CD1 3.98Å
467I89.2Confident73.5Confident69 Ų6973.9 Ų73.935%0.35440%0.4SS..EExtended strand (participates in β ladder)trans-76.9-44.6177.6-59.7164.5000110.1P433 V445 E447 N465 I502P433-I467 HydrophobicContact CB-CD1 3.57Å; P433-I467 HydrophobicContact CG-CD1 4.45Å; V445-I467 HydrophobicContact CB-CB 4.37Å; V445-I467 HydrophobicContact CG1-CB 4.35Å; V445-I467 HydrophobicContact CG1-CD1 3.79Å; V445-I467 PolarHBondContact O-N 3.22Å; E447-I467 HydrophobicContact CB-CD1 4.46Å; E447-I467 HydrophobicContact CG-CD1 3.62Å; E447-I467 HydrophobicContact CG-CG1 3.57Å; N465-I467 PolarHBondContact O-N 3.22Å; I467-I502 HydrophobicContact CB-CD1 4.22Å; I467-I502 HydrophobicContact CG2-CD1 3.49Å; I467-I502 VanDerWaalsContact CG2-CD1 3.49Å
468G90.6Very high76Confident11 Ų1171.2 Ų71.211%0.11338%0.375CS..EExtended strand (participates in β ladder)trans177.9162.9-177.300000113.8Y444 V445Y444-G468 WeakPolarHBondContact CA-O 3.5Å; Y444-G468 WeakPolarHBondContact CD1-O 3.41Å; V445-G468 PolarHBondContact N-O 2.82Å; V445-G468 PolarHBondContact O-N 3.41Å
469K93.1Very high78.5Confident45 Ų4568 Ų6820%0.19636%0.358CS..EExtended strand (participates in β ladder)trans-78.6122.2175.1-171.3169.9-177.7164.10109.8W358 D442 Y444 A471 N494 T501W358-K469 HydrophobicContact CH2-CD 4.37Å; W358-K469 HydrophobicContact CZ3-CD 4.3Å; D442-K469 WeakPolarHBondContact OD1-CE 3.45Å; D442-K469 IonicContact OD1-NZ 3.7Å; D442-K469 PolarHBondContact OD1-NZ 3.5Å; D442-K469 IonicContact OD2-NZ 2.7Å; D442-K469 PolarHBondContact OD2-NZ 2.7Å; Y444-K469 HydrophobicContact CD1-CB 4.04Å; Y444-K469 HydrophobicContact CE1-CB 3.67Å; Y444-K469 HydrophobicContact CE1-CG 4.22Å; Y444-K469 HydrophobicContact CE2-CD 4.45Å; Y444-K469 HydrophobicContact CE2-CG 4.28Å; K469-A471 VanDerWaalsContact CE-O 3.3Å; K469-A471 WeakPolarHBondContact CE-O 3.42Å; K469-N494 PolarHBondContact O-ND2 3.5Å; K469-T501 HydrophobicContact CB-CG2 4.4Å; K469-T501 WeakPolarHBondContact O-CB 3.37Å; K469-T501 PolarHBondContact O-OG1 3.26Å
470L96.3Very high80.9Confident0 Ų066.2 Ų66.20%034%0.342CS..EExtended strand (participates in β ladder)trans-89.4-43.2178.6-174.265.4000111.6I435 I443 V445 I493 N494 L504I435-L470 HydrophobicContact CD1-CD2 3.92Å; I435-L470 HydrophobicContact CG1-CD2 4.17Å; I435-L470 HydrophobicContact CG2-CD2 3.82Å; I443-L470 HydrophobicContact CG2-CB 4.39Å; I443-L470 HydrophobicContact CG2-CD2 4.31Å; I443-L470 PolarHBondContact O-N 3.46Å; V445-L470 HydrophobicContact CG2-CB 3.96Å; V445-L470 HydrophobicContact CG2-CD1 4.28Å; V445-L470 HydrophobicContact CG2-CD2 4.35Å; V445-L470 HydrophobicContact CG2-CG 4.43Å; L470-I493 HydrophobicContact CG-CG2 4.48Å; L470-N494 WeakPolarHBondContact CD1-O 3.45Å; L470-N494 PolarHBondContact O-N 2.72Å; L470-L504 HydrophobicContact CD1-CB 4.36Å
471A97.6Very high83.4Confident0 Ų064.7 Ų64.70%033%0.329CS..EExtended strand (participates in β ladder)trans-149.7164-175.900000113.6I396 I443 K469 G492 I493I396-A471 HydrophobicContact CG2-CB 4.22Å; I443-A471 HydrophobicContact CB-CB 4.06Å; I443-A471 HydrophobicContact CD1-CB 3.95Å; I443-A471 HydrophobicContact CG1-CB 4.48Å; I443-A471 PolarHBondContact N-O 3.08Å; I443-A471 PolarHBondContact O-N 2.95Å; I443-A471 VanDerWaalsContact O-N 3.1Å; K469-A471 VanDerWaalsContact CE-O 3.3Å; K469-A471 WeakPolarHBondContact CE-O 3.42Å; A471-G492 CarbonylContact C-O 3.59Å; A471-G492 WeakPolarHBondContact CA-O 3.4Å; A471-G492 WeakPolarHBondContact CB-O 3.24Å; A471-I493 HydrophobicContact CB-CB 4.08Å; A471-I493 HydrophobicContact CB-CG1 3.81Å; A471-I493 HydrophobicContact CB-CG2 4.1Å
472G95.8Very high85.4Confident8 Ų861.9 Ų61.98%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-143.3148.3173.700000111.6G492G472-G492 PolarHBondContact N-O 3.09Å; G472-G492 PolarHBondContact O-N 3.02Å; G472-G492 VanDerWaalsContact O-N 3.09Å
473V96.7Very high87.4Confident3 Ų363.5 Ų63.52%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-119.4139.5-179-177.60000110.6V392 I396 N441 I443 V475 I489 G490V392-V473 HydrophobicContact CB-CG1 4.17Å; V392-V473 HydrophobicContact CG1-CG1 3.7Å; V392-V473 HydrophobicContact CG1-CG2 3.91Å; I396-V473 HydrophobicContact CD1-CG2 3.62Å; N441-V473 HydrophobicContact CB-CB 4.35Å; N441-V473 PolarHBondContact ND2-O 3.02Å; N441-V473 PolarHBondContact O-N 3Å; I443-V473 HydrophobicContact CD1-CG2 4.29Å; V473-V475 HydrophobicContact CG1-CG2 3.98Å; V473-I489 HydrophobicContact CG1-CG2 4.22Å; V473-G490 CarbonylContact C-O 3.47Å; V473-G490 WeakPolarHBondContact CA-O 3.3Å
474L94.8Very high89.3Confident23 Ų2356.8 Ų56.812%0.1230%0.295CS..EExtended strand (participates in β ladder)trans-118.9140.5166.5-64.9-178.2000109.9W324 K351 R353 I489 G490W324-L474 HydrophobicContact CD2-CD1 4.18Å; W324-L474 HydrophobicContact CE3-CB 4.07Å; W324-L474 HydrophobicContact CE3-CD1 4.41Å; W324-L474 HydrophobicContact CH2-CB 3.78Å; W324-L474 HydrophobicContact CZ2-CB 4.29Å; W324-L474 HydrophobicContact CZ3-CB 3.67Å; K351-L474 HydrophobicContact CB-CD1 4.18Å; K351-L474 VanDerWaalsContact O-CD1 3.29Å; K351-L474 WeakPolarHBondContact O-CD1 3.46Å; R353-L474 HydrophobicContact CB-CD2 3.92Å; R353-L474 HydrophobicContact CG-CD2 4.41Å; L474-I489 CarbonylContact O-C 3.51Å; L474-I489 VanDerWaalsContact O-CA 3.29Å; L474-I489 WeakPolarHBondContact O-CA 3.43Å; L474-G490 PolarHBondContact N-O 3.4Å; L474-G490 PolarHBondContact O-N 2.89Å
475V94.3Very high90.7Very high46 Ų4652.8 Ų52.828%0.27928%0.276SS..EExtended strand (participates in β ladder)trans-134.3132.2176.2-177.40000109.1I388 Q389 V473 L487 L488 I489I388-V475 HydrophobicContact CG2-CG1 3.68Å; I388-V475 HydrophobicContact CG2-CG2 4.4Å; Q389-V475 HydrophobicContact CB-CG2 3.82Å; V473-V475 HydrophobicContact CG1-CG2 3.98Å; V475-L487 HydrophobicContact CG1-CD2 3.82Å; V475-L488 CarbonylContact C-O 3.59Å; V475-L488 WeakPolarHBondContact CA-O 3.45Å; V475-I489 HydrophobicContact CG1-CG1 4.32Å; V475-I489 HydrophobicContact CG2-CG1 4.25Å; V475-I489 HydrophobicContact CG2-CG2 4.48Å
476R93.9Very high91.3Very high128 Ų12849.4 Ų49.448%0.48326%0.257SS..EExtended strand (participates in β ladder)trans-122.3126.9167.6-176-179.3-175.6110.49.4107.7W324 F331 L487 L488W324-R476 HydrophobicContact CH2-CB 3.72Å; W324-R476 HydrophobicContact CZ2-CB 3.94Å; F331-R476 HydrophobicContact CE1-CG 4.02Å; R476-L487 WeakPolarHBondContact O-CA 3.23Å; R476-L488 HydrophobicContact CB-CB 4.32Å; R476-L488 PolarHBondContact N-O 2.93Å; R476-L488 PolarHBondContact O-N 3.02Å
477C91.6Very high91.8Very high64 Ų6445.5 Ų45.543%0.43224%0.237SC..EExtended strand (participates in β ladder)trans-111.3141.7-178.4178.50000110.1V485 L487C477-V485 WeakPolarHBondContact SG-CG1 3.32Å; C477-L487 HydrophobicContact CB-CD2 3.71Å
478R89.7Confident92.1Very high79 Ų7942.2 Ų42.230%0.29822%0.22SC..EExtended strand (participates in β ladder)trans-127.4117.5168.5179.5-169.8-177.7-160.910.9108.5F331 E332 V480 V485 E486F331-R478 HydrophobicContact CE1-CB 3.95Å; F331-R478 HydrophobicContact CZ-CB 4.05Å; E332-R478 VanDerWaalsContact CA-NH1 3.29Å; E332-R478 PolarHBondContact O-NH1 3Å; R478-V480 HydrophobicContact CG-CG2 4.5Å; R478-V480 PolarHBondContact O-N 3.24Å; R478-V485 WeakPolarHBondContact O-CA 3.2Å; R478-E486 HydrophobicContact CB-CB 4.4Å; R478-E486 IonicContact CZ-OE2 3.78Å; R478-E486 PolarHBondContact N-O 3.18Å; R478-E486 IonicContact NH1-OE2 3.5Å; R478-E486 PolarHBondContact NH1-OE2 2.88Å; R478-E486 PolarHBondContact O-N 2.98Å
479L88.8Confident92.5Very high99 Ų9941.7 Ų41.752%0.51822%0.215SC..EExtended strand (participates in β ladder)trans-80.1113.5170-173.467.2000108.6F381 D481 V485F381-L479 HydrophobicContact CE1-CD1 4.47Å; L479-D481 WeakPolarHBondContact CD1-O 3.5Å; L479-V485 HydrophobicContact CD1-CG2 3.39Å
480V88.2Confident92.7Very high70 Ų7039.9 Ų39.942%0.42421%0.209SC..EExtended strand (participates in β ladder)trans-86.5-44.6177.5179.30000109.8R478 H484 E486R478-V480 HydrophobicContact CG-CG2 4.5Å; R478-V480 PolarHBondContact O-N 3.24Å; V480-H484 HydrophobicContact CB-CB 4.31Å; V480-H484 PolarHBondContact N-O 2.71Å; V480-E486 HydrophobicContact CG2-CG 3.92Å
481D85.7Confident92.8Very high82 Ų8240.2 Ų40.244%0.43921%0.211SC..EExtended strand (participates in β ladder)trans-153.3-178.6170.467.452.1000110.7L479 K483 H484L479-D481 WeakPolarHBondContact CD1-O 3.5Å; D481-K483 PolarHBondContact O-N 3.08Å; D481-K483 WeakPolarHBondContact OD1-CA 3.28Å; D481-K483 WeakPolarHBondContact OD1-CB 3.11Å; D481-K483 PolarHBondContact OD1-N 3.29Å; D481-H484 PolarHBondContact N-O 2.89Å; D481-H484 PolarHBondContact O-N 3.28Å; D481-H484 VanDerWaalsContact O-O 3.14Å; D481-H484 WeakPolarHBondContact OD1-CB 3.31Å; D481-H484 PolarHBondContact OD1-N 3.05Å
482S83Confident92.8Very high84 Ų8440.4 Ų40.459%0.58721%0.214SC*.THydrogen-bonded Turntrans-60-11.1-177.457.90000115.9
483K86.3Confident92.9Very high103 Ų10340 Ų4045%0.44821%0.21SC..THydrogen-bonded Turntrans-129.8-0.6-173.9-68.1179.9177.8-179.90112.6S374 T375 D481S374-K483 VanDerWaalsContact CA-O 3.23Å; S374-K483 WeakPolarHBondContact CA-O 3.2Å; T375-K483 PolarHBondContact N-O 3.18Å; T375-K483 VanDerWaalsContact N-O 3.1Å; T375-K483 VanDerWaalsContact O-CB 3.25Å; T375-K483 WeakPolarHBondContact O-CB 3.26Å; T375-K483 WeakPolarHBondContact O-CG 3.24Å; D481-K483 PolarHBondContact O-N 3.08Å; D481-K483 WeakPolarHBondContact OD1-CA 3.28Å; D481-K483 WeakPolarHBondContact OD1-CB 3.11Å; D481-K483 PolarHBondContact OD1-N 3.29Å
484H90.2Very high92.8Very high30 Ų3040.1 Ų40.114%0.13921%0.21CC..EExtended strand (participates in β ladder)trans-137.1124.8-174.7-169.996.3000111.8T372 S374 V480 D481 E486T372-H484 WeakPolarHBondContact CG2-CE1 3.17Å; S374-H484 PolarHBondContact OG-CE1 3.13Å; S374-H484 PolarHBondContact OG-ND1 3.18Å; V480-H484 HydrophobicContact CB-CB 4.31Å; V480-H484 PolarHBondContact N-O 2.71Å; D481-H484 PolarHBondContact N-O 2.89Å; D481-H484 PolarHBondContact O-N 3.28Å; D481-H484 VanDerWaalsContact O-O 3.14Å; D481-H484 WeakPolarHBondContact OD1-CB 3.31Å; D481-H484 PolarHBondContact OD1-N 3.05Å; H484-E486 IonicContact NE2-OE1 3.12Å
485V92.1Very high92.6Very high1 Ų139 Ų391%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-133.4135.3179.8165.50000109.4L373 F381 V385 C477 R478 L479 L487L373-V485 PolarHBondContact N-O 3.47Å; L373-V485 PolarHBondContact O-N 3.44Å; F381-V485 HydrophobicContact CE1-CB 4.36Å; F381-V485 HydrophobicContact CE1-CG2 3.59Å; F381-V485 HydrophobicContact CE2-CB 4.37Å; F381-V485 HydrophobicContact CE2-CG2 4.4Å; F381-V485 HydrophobicContact CZ-CB 3.64Å; F381-V485 HydrophobicContact CZ-CG2 3.39Å; V385-V485 HydrophobicContact CG1-CG1 4.23Å; V385-V485 HydrophobicContact CG2-CB 4.18Å; V385-V485 HydrophobicContact CG2-CG1 4.16Å; V385-V485 HydrophobicContact CG2-CG2 3.94Å; C477-V485 WeakPolarHBondContact SG-CG1 3.32Å; R478-V485 WeakPolarHBondContact O-CA 3.2Å; L479-V485 HydrophobicContact CD1-CG2 3.39Å; V485-L487 HydrophobicContact CG1-CD1 4.16Å; V485-L487 HydrophobicContact CG1-CD2 4.28Å; V485-L487 HydrophobicContact CG1-CG 3.84Å
486E94Very high92.1Very high10 Ų1038.4 Ų38.45%0.04720%0.198CC..EExtended strand (participates in β ladder)trans-105.2133.6171.5-65.9176.3164.800109F331 R478 V480 H484F331-E486 HydrophobicContact CE2-CB 4.03Å; F331-E486 HydrophobicContact CZ-CB 4.18Å; R478-E486 HydrophobicContact CB-CB 4.4Å; R478-E486 IonicContact CZ-OE2 3.78Å; R478-E486 PolarHBondContact N-O 3.18Å; R478-E486 IonicContact NH1-OE2 3.5Å; R478-E486 PolarHBondContact NH1-OE2 2.88Å; R478-E486 PolarHBondContact O-N 2.98Å; V480-E486 HydrophobicContact CG2-CG 3.92Å; H484-E486 IonicContact NE2-OE1 3.12Å
487L95.4Very high91.3Very high0 Ų032.8 Ų32.80%018%0.178CC..EExtended strand (participates in β ladder)trans-126.4131.9-175.8-71.3152.8000109.5H370 L371 L373 I388 V475 R476 C477 V485 I489H370-L487 WeakPolarHBondContact CA-O 3.21Å; H370-L487 PolarHBondContact CD2-O 3.23Å; L371-L487 HydrophobicContact CB-CB 4.13Å; L371-L487 HydrophobicContact CD2-CD1 3.92Å; L371-L487 HydrophobicContact CG-CD1 4.24Å; L371-L487 PolarHBondContact N-O 2.91Å; L371-L487 PolarHBondContact O-N 2.91Å; L373-L487 HydrophobicContact CD1-CD1 3.57Å; L373-L487 HydrophobicContact CG-CD1 3.94Å; I388-L487 HydrophobicContact CD1-CD1 4.44Å; I388-L487 HydrophobicContact CG1-CD1 4.01Å; I388-L487 HydrophobicContact CG2-CD2 3.99Å; V475-L487 HydrophobicContact CG1-CD2 3.82Å; R476-L487 WeakPolarHBondContact O-CA 3.23Å; C477-L487 HydrophobicContact CB-CD2 3.71Å; V485-L487 HydrophobicContact CG1-CD1 4.16Å; V485-L487 HydrophobicContact CG1-CD2 4.28Å; V485-L487 HydrophobicContact CG1-CG 3.84Å; L487-I489 HydrophobicContact CB-CD1 4.29Å; L487-I489 HydrophobicContact CB-CG1 4.38Å
488L97Very high90.1Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-108.6120.4167.1-170.669.4000108.6W324 C327 Q328 F331 T368 V475 R476W324-L488 HydrophobicContact CE3-CD2 4.37Å; W324-L488 HydrophobicContact CE3-CG 4.4Å; W324-L488 HydrophobicContact CZ3-CD2 4.37Å; W324-L488 HydrophobicContact CZ3-CG 4.15Å; W324-L488 WeakPolarHBondContact CZ3-O 3.4Å; C327-L488 HydrophobicContact CB-CD1 3.46Å; C327-L488 VanDerWaalsContact CB-CD1 3.46Å; C327-L488 HydrophobicContact CB-CD2 3.87Å; C327-L488 HydrophobicContact CB-CG 4.26Å; Q328-L488 HydrophobicContact CB-CD2 4.48Å; Q328-L488 HydrophobicContact CG-CD2 3.65Å; F331-L488 HydrophobicContact CD2-CB 4.09Å; F331-L488 HydrophobicContact CE1-CB 4.35Å; F331-L488 HydrophobicContact CE2-CB 3.87Å; F331-L488 HydrophobicContact CG-CB 4.45Å; F331-L488 HydrophobicContact CZ-CB 3.99Å; T368-L488 HydrophobicContact CG2-CD1 3.54Å; T368-L488 HydrophobicContact CG2-CD2 4.33Å; T368-L488 HydrophobicContact CG2-CG 3.75Å; V475-L488 CarbonylContact C-O 3.59Å; V475-L488 WeakPolarHBondContact CA-O 3.45Å; R476-L488 HydrophobicContact CB-CB 4.32Å; R476-L488 PolarHBondContact N-O 2.93Å; R476-L488 PolarHBondContact O-N 3.02Å
489I97.8Very high89.1Confident0 Ų036.8 Ų36.80%020%0.197CC..EExtended strand (participates in β ladder)trans-123.3122.3-173.1-60.9161.1000109T368 F369 L371 I388 V392 V473 L474 V475 L487T368-I489 CarbonylContact C-O 3.59Å; T368-I489 WeakPolarHBondContact CA-O 3.22Å; T368-I489 WeakPolarHBondContact CG2-O 3.08Å; F369-I489 HydrophobicContact CD1-CB 4.33Å; F369-I489 HydrophobicContact CD1-CG2 4.48Å; F369-I489 HydrophobicContact CD2-CB 4.39Å; F369-I489 HydrophobicContact CD2-CD1 4.48Å; F369-I489 HydrophobicContact CE1-CB 3.8Å; F369-I489 HydrophobicContact CE1-CG2 3.57Å; F369-I489 HydrophobicContact CE2-CB 3.86Å; F369-I489 HydrophobicContact CE2-CD1 3.54Å; F369-I489 HydrophobicContact CE2-CG1 4.26Å; F369-I489 HydrophobicContact CE2-CG2 4.27Å; F369-I489 HydrophobicContact CZ-CB 3.53Å; F369-I489 HydrophobicContact CZ-CD1 3.72Å; F369-I489 HydrophobicContact CZ-CG1 4.23Å; F369-I489 HydrophobicContact CZ-CG2 3.45Å; F369-I489 VanDerWaalsContact CZ-CG2 3.45Å; F369-I489 PolarHBondContact N-O 2.92Å; F369-I489 PolarHBondContact O-N 2.94Å; L371-I489 HydrophobicContact CB-CD1 4.21Å; L371-I489 HydrophobicContact CD2-CD1 3.98Å; I388-I489 HydrophobicContact CG1-CD1 4.08Å; V392-I489 HydrophobicContact CG1-CG2 3.92Å; V392-I489 HydrophobicContact CG2-CD1 3.93Å; V392-I489 HydrophobicContact CG2-CG2 3.9Å; V473-I489 HydrophobicContact CG1-CG2 4.22Å; L474-I489 CarbonylContact O-C 3.51Å; L474-I489 VanDerWaalsContact O-CA 3.29Å; L474-I489 WeakPolarHBondContact O-CA 3.43Å; V475-I489 HydrophobicContact CG1-CG1 4.32Å; V475-I489 HydrophobicContact CG2-CG1 4.25Å; V475-I489 HydrophobicContact CG2-CG2 4.48Å; L487-I489 HydrophobicContact CB-CD1 4.29Å; L487-I489 HydrophobicContact CB-CG1 4.38Å
490G98Very high88.4Confident7 Ų735.6 Ų35.67%0.07220%0.195CC..EExtended strand (participates in β ladder)trans-108.2131.6177.300000110.5V473 L474V473-G490 CarbonylContact C-O 3.47Å; V473-G490 WeakPolarHBondContact CA-O 3.3Å; L474-G490 PolarHBondContact N-O 3.4Å; L474-G490 PolarHBondContact O-N 2.89Å
491C98.4Very high88.1Confident7 Ų735.5 Ų35.55%0.04720%0.195CC..EExtended strand (participates in β ladder)trans-126.5133.3179.4-65.70000109.9F367F367-C491 HydrophobicContact CD1-CB 4.08Å; F367-C491 HydrophobicContact CD2-CB 4.34Å; F367-C491 HydrophobicContact CE1-CB 3.56Å; F367-C491 HydrophobicContact CE2-CB 3.85Å; F367-C491 HydrophobicContact CG-CB 4.45Å; F367-C491 HydrophobicContact CZ-CB 3.44Å; F367-C491 VanDerWaalsContact CZ-CB 3.44Å; F367-C491 PolarHBondContact N-O 3.42Å; F367-C491 PolarHBondContact O-N 3.12Å
492G97.3Very high88.2Confident5 Ų531.9 Ų31.95%0.05218%0.176CC..EExtended strand (participates in β ladder)trans-123.7115.7167.100000109.4W358 A365 A471 G472W358-G492 VanDerWaalsContact CZ2-O 3.3Å; W358-G492 WeakPolarHBondContact CZ2-O 3.15Å; A365-G492 WeakPolarHBondContact O-CA 3.18Å; A471-G492 CarbonylContact C-O 3.59Å; A471-G492 WeakPolarHBondContact CA-O 3.4Å; A471-G492 WeakPolarHBondContact CB-O 3.24Å; G472-G492 PolarHBondContact N-O 3.09Å; G472-G492 PolarHBondContact O-N 3.02Å; G472-G492 VanDerWaalsContact O-N 3.09Å
493I97.8Very high88.6Confident0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-123.2120.8180-48162.9000108.8Q364 A365 F367 I396 L470 A471 A495 L525 V529Q364-I493 CarbonylContact C-O 3.43Å; Q364-I493 WeakPolarHBondContact CA-O 3.01Å; Q364-I493 VanDerWaalsContact CG-O 3.22Å; Q364-I493 WeakPolarHBondContact CG-O 3.29Å; A365-I493 HydrophobicContact CB-CB 4.16Å; A365-I493 PolarHBondContact N-O 3.5Å; A365-I493 PolarHBondContact O-N 3.18Å; F367-I493 HydrophobicContact CE1-CD1 4.08Å; F367-I493 HydrophobicContact CZ-CD1 4.44Å; I396-I493 HydrophobicContact CD1-CD1 4.3Å; I396-I493 HydrophobicContact CD1-CG1 4.31Å; I396-I493 HydrophobicContact CG1-CD1 4.02Å; I396-I493 HydrophobicContact CG2-CD1 3.98Å; I396-I493 HydrophobicContact CG2-CG1 4.16Å; L470-I493 HydrophobicContact CG-CG2 4.48Å; A471-I493 HydrophobicContact CB-CB 4.08Å; A471-I493 HydrophobicContact CB-CG1 3.81Å; A471-I493 HydrophobicContact CB-CG2 4.1Å; I493-A495 PolarHBondContact O-N 3.3Å; I493-L525 HydrophobicContact CB-CD2 4.35Å; I493-L525 HydrophobicContact CD1-CD2 4.42Å; I493-L525 HydrophobicContact CD1-CG 4.38Å; I493-L525 HydrophobicContact CG2-CD2 3.96Å; I493-V529 HydrophobicContact CD1-CG2 3.87Å
494N94.3Very high89.1Confident4 Ų423.1 Ų23.12%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-73.1108176.2-64.3-28.3000109.6Q364 K469 L470 N497 T501 I502 C503 L504Q364-N494 PolarHBondContact NE2-OD1 3.34Å; K469-N494 PolarHBondContact O-ND2 3.5Å; L470-N494 WeakPolarHBondContact CD1-O 3.45Å; L470-N494 PolarHBondContact O-N 2.72Å; N494-N497 WeakPolarHBondContact CA-OD1 3.02Å; N494-N497 WeakPolarHBondContact CB-OD1 3.07Å; N494-N497 VanDerWaalsContact CG-ND2 3.26Å; N494-N497 PolarHBondContact OD1-ND2 3.3Å; N494-T501 PolarHBondContact ND2-OG1 2.87Å; N494-I502 WeakPolarHBondContact CB-O 3.48Å; N494-I502 PolarHBondContact ND2-O 3.09Å; N494-I502 VanDerWaalsContact ND2-O 3.12Å; N494-C503 HydrophobicContact CB-CB 4.27Å; N494-C503 CarbonylContact O-C 3.55Å; N494-C503 VanDerWaalsContact O-CA 3.26Å; N494-C503 WeakPolarHBondContact O-CA 2.97Å; N494-L504 PolarHBondContact O-N 2.78Å
495A90.9Very high89.2Confident0 Ų022 Ų220%012%0.122CC..SBendtrans-98.1-51.2-175.500000111.7G363 I493 N497 C503 L504 E505 F520 I522 L525G363-A495 WeakPolarHBondContact O-CA 3.36Å; G363-A495 VanDerWaalsContact O-CB 3.32Å; G363-A495 WeakPolarHBondContact O-CB 3.39Å; G363-A495 PolarHBondContact O-N 3.11Å; G363-A495 VanDerWaalsContact O-N 3.13Å; I493-A495 PolarHBondContact O-N 3.3Å; A495-N497 PolarHBondContact N-OD1 3.1Å; A495-C503 WeakPolarHBondContact O-CB 3.41Å; A495-L504 PolarHBondContact O-N 2.87Å; A495-E505 WeakPolarHBondContact O-CB 3.27Å; A495-E505 PolarHBondContact O-N 2.64Å; A495-F520 HydrophobicContact CB-CE2 4.2Å; A495-F520 HydrophobicContact CB-CZ 4.32Å; A495-I522 HydrophobicContact CB-CG1 4.16Å; A495-L525 HydrophobicContact CB-CD2 3.88Å
496F83.7Confident89.2Confident33 Ų3325.7 Ų25.715%0.14514%0.139CC..SBendtrans-128.60.1-175.5-68-74.5000113.8L33 G363 E505 F520 I522L33-F496 HydrophobicContact CD1-CB 3.57Å; L33-F496 HydrophobicContact CD1-CD1 3.47Å; L33-F496 VanDerWaalsContact CD1-CD1 3.47Å; L33-F496 HydrophobicContact CD1-CE1 4.3Å; L33-F496 HydrophobicContact CD1-CG 3.64Å; L33-F496 HydrophobicContact CG-CD1 4.48Å; G363-F496 PolarHBondContact O-N 3.48Å; F496-E505 HydrophobicContact CD1-CB 3.77Å; F496-E505 HydrophobicContact CD1-CG 4Å; F496-E505 HydrophobicContact CE1-CB 4.07Å; F496-E505 HydrophobicContact CE1-CG 4.1Å; F496-F520 HydrophobicContact CD2-CZ 4.33Å; F496-F520 HydrophobicContact CE1-CD1 4.32Å; F496-F520 AromaticContact CE1-CE1 3.69Å; F496-F520 HydrophobicContact CE1-CE1 3.69Å; F496-F520 AromaticContact CE1-CZ 3.89Å; F496-F520 HydrophobicContact CE1-CZ 3.89Å; F496-F520 HydrophobicContact CE2-CD2 4.11Å; F496-F520 HydrophobicContact CE2-CE1 4.05Å; F496-F520 AromaticContact CE2-CE2 3.58Å; F496-F520 HydrophobicContact CE2-CE2 3.58Å; F496-F520 AromaticContact CE2-CZ 3.54Å; F496-F520 HydrophobicContact CE2-CZ 3.54Å; F496-F520 AromaticContact CZ-CD1 3.69Å; F496-F520 HydrophobicContact CZ-CD1 3.69Å; F496-F520 HydrophobicContact CZ-CD2 4.04Å; F496-F520 AromaticContact CZ-CE1 3.29Å; F496-F520 HydrophobicContact CZ-CE1 3.29Å; F496-F520 AromaticContact CZ-CE2 3.68Å; F496-F520 HydrophobicContact CZ-CE2 3.68Å; F496-F520 HydrophobicContact CZ-CG 4.04Å; F496-F520 AromaticContact CZ-CZ 3.28Å; F496-F520 HydrophobicContact CZ-CZ 3.28Å; F496-F520 VanDerWaalsContact CZ-O 3.25Å; F496-F520 WeakPolarHBondContact CZ-O 3.26Å; F496-I522 HydrophobicContact CD2-CD1 4.33Å; F496-I522 HydrophobicContact CD2-CG1 3.89Å; F496-I522 HydrophobicContact CE2-CG1 4.15Å
497N76.3Confident89.2Confident11 Ų1125.2 Ų25.26%0.05914%0.137CC..  trans-89107.5178.559-67.1000111.7P361 V362 G363 N494 A495 L499 C503P361-N497 HydrophobicContact CG-CB 3.86Å; V362-N497 WeakPolarHBondContact O-CB 3.38Å; G363-N497 PolarHBondContact O-OD1 2.65Å; N494-N497 WeakPolarHBondContact CA-OD1 3.02Å; N494-N497 WeakPolarHBondContact CB-OD1 3.07Å; N494-N497 VanDerWaalsContact CG-ND2 3.26Å; N494-N497 PolarHBondContact OD1-ND2 3.3Å; A495-N497 PolarHBondContact N-OD1 3.1Å; N497-L499 PolarHBondContact ND2-O 2.85Å; N497-L499 PolarHBondContact O-N 2.72Å; N497-C503 WeakPolarHBondContact O-CB 3.36Å
498E67.2Low89.2Confident90 Ų9025.3 Ų25.342%0.42114%0.137SC..  trans-61.5-25.3178-66.5-176-173.200113.2S32S32-E498 PolarHBondContact OG-OE1 2.87Å
499L69.7Low88.9Confident136 Ų13626.7 Ų26.771%0.71214%0.144SC*.SBendtrans-115.8150.5178.6-64.9177.5000111N497N497-L499 PolarHBondContact ND2-O 2.85Å; N497-L499 PolarHBondContact O-N 2.72Å
500P72.2Confident88.6Confident75 Ų7531.6 Ų31.649%0.48717%0.166SC..SBendcis-86.7-8.77.133.7-35.8000115.9
501T82Confident88.4Confident68 Ų6831.4 Ų31.442%0.41716%0.163SC..SBendtrans-125-82.7-171.450.40000113.4K469 N494K469-T501 HydrophobicContact CB-CG2 4.4Å; K469-T501 WeakPolarHBondContact O-CB 3.37Å; K469-T501 PolarHBondContact O-OG1 3.26Å; N494-T501 PolarHBondContact ND2-OG1 2.87Å
502I89.3Confident88Confident6 Ų632.7 Ų32.73%0.03117%0.168CC..  trans-157.3155-178-172.4152.8000108.2V445 I467 N494 H506V445-I502 HydrophobicContact CB-CD1 3.9Å; V445-I502 HydrophobicContact CB-CG2 4.2Å; V445-I502 HydrophobicContact CG1-CD1 3.83Å; V445-I502 HydrophobicContact CG2-CD1 3.99Å; V445-I502 HydrophobicContact CG2-CG1 4.2Å; V445-I502 HydrophobicContact CG2-CG2 3.67Å; I467-I502 HydrophobicContact CB-CD1 4.22Å; I467-I502 HydrophobicContact CG2-CD1 3.49Å; I467-I502 VanDerWaalsContact CG2-CD1 3.49Å; N494-I502 WeakPolarHBondContact CB-O 3.48Å; N494-I502 PolarHBondContact ND2-O 3.09Å; N494-I502 VanDerWaalsContact ND2-O 3.12Å; I502-H506 HydrophobicContact CG1-CB 4.28Å
503C91.8Very high87.5Confident2 Ų237.6 Ų37.61%0.01420%0.199CC..  trans-125.7161.9177.262.90000112.9N494 A495 N497 E505 H506 V507N494-C503 HydrophobicContact CB-CB 4.27Å; N494-C503 CarbonylContact O-C 3.55Å; N494-C503 VanDerWaalsContact O-CA 3.26Å; N494-C503 WeakPolarHBondContact O-CA 2.97Å; A495-C503 WeakPolarHBondContact O-CB 3.41Å; N497-C503 WeakPolarHBondContact O-CB 3.36Å; C503-E505 VanDerWaalsContact C-N 3.31Å; C503-E505 PolarHBondContact O-N 3.01Å; C503-H506 WeakPolarHBondContact O-CB 3.46Å; C503-H506 PolarHBondContact O-N 2.84Å; C503-V507 PolarHBondContact O-N 3.13Å
504L95.9Very high87Confident0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-62.6-36.6178.3-176.559.5000112.3C400 L403 I435 L470 N494 A495 H506 V507 L508 F520 L525C400-L504 HydrophobicContact CB-CD1 3.86Å; C400-L504 HydrophobicContact CB-CD2 4.37Å; L403-L504 HydrophobicContact CD1-CD2 3.7Å; I435-L504 HydrophobicContact CD1-CD1 3.72Å; L470-L504 HydrophobicContact CD1-CB 4.36Å; N494-L504 PolarHBondContact O-N 2.78Å; A495-L504 PolarHBondContact O-N 2.87Å; L504-H506 PolarHBondContact O-N 3.34Å; L504-V507 HydrophobicContact CD1-CB 4.49Å; L504-V507 WeakPolarHBondContact O-CB 3.43Å; L504-V507 PolarHBondContact O-N 3.45Å; L504-V507 VanDerWaalsContact O-N 3.09Å; L504-L508 HydrophobicContact CD1-CD1 4.39Å; L504-L508 HydrophobicContact CD1-CG 4.42Å; L504-L508 HydrophobicContact CD2-CD1 4.4Å; L504-L508 HydrophobicContact CG-CD1 3.81Å; L504-L508 HydrophobicContact CG-CG 4.34Å; L504-L508 WeakPolarHBondContact O-CG 3.34Å; L504-L508 PolarHBondContact O-N 3Å; L504-F520 HydrophobicContact CB-CZ 4.34Å; L504-F520 HydrophobicContact CD2-CE2 4.1Å; L504-F520 HydrophobicContact CD2-CZ 3.93Å; L504-F520 HydrophobicContact CG-CZ 4.2Å; L504-L525 HydrophobicContact CD2-CD1 4.2Å; L504-L525 HydrophobicContact CD2-CD2 4.17Å
505E93.1Very high86.4Confident8 Ų845.9 Ų45.94%0.03725%0.25CS..Hα-helixtrans-54.6-43.5174.6-171.3-167.9-167.900111.1A495 F496 C503 V507 L508 I509 R517 P518A495-E505 WeakPolarHBondContact O-CB 3.27Å; A495-E505 PolarHBondContact O-N 2.64Å; F496-E505 HydrophobicContact CD1-CB 3.77Å; F496-E505 HydrophobicContact CD1-CG 4Å; F496-E505 HydrophobicContact CE1-CB 4.07Å; F496-E505 HydrophobicContact CE1-CG 4.1Å; C503-E505 VanDerWaalsContact C-N 3.31Å; C503-E505 PolarHBondContact O-N 3.01Å; E505-V507 VanDerWaalsContact C-N 3.34Å; E505-V507 PolarHBondContact O-N 2.86Å; E505-L508 PolarHBondContact O-N 3Å; E505-I509 HydrophobicContact CG-CD1 3.95Å; E505-I509 VanDerWaalsContact O-CG1 3.28Å; E505-I509 WeakPolarHBondContact O-CG1 2.91Å; E505-I509 PolarHBondContact O-N 3.09Å; E505-R517 IonicContact OE1-CZ 3.61Å; E505-R517 IonicContact OE1-NH1 2.94Å; E505-R517 PolarHBondContact OE1-NH1 3.35Å; E505-R517 IonicContact OE2-NH1 3.91Å; E505-P518 HydrophobicContact CG-CG 3.92Å
506H91.2Very high85.8Confident78 Ų7849.9 Ų49.936%0.36127%0.271SS..Hα-helixtrans-61.8-42.6177.8-172.791.8000112I502 C503 L504 K510I502-H506 HydrophobicContact CG1-CB 4.28Å; C503-H506 WeakPolarHBondContact O-CB 3.46Å; C503-H506 PolarHBondContact O-N 2.84Å; L504-H506 PolarHBondContact O-N 3.34Å; H506-K510 WeakPolarHBondContact O-CB 3.49Å; H506-K510 WeakPolarHBondContact O-CG 3.41Å; H506-K510 PolarHBondContact O-N 3.44Å; H506-K510 VanDerWaalsContact O-N 3.08Å
507V94.6Very high85.4Confident0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-62.1-49.7176.7177.30000110.4I404 P433 I435 V445 C503 L504 E505 I509 K510 S511I404-V507 HydrophobicContact CD1-CG1 4.06Å; P433-V507 HydrophobicContact CG-CG1 4.25Å; P433-V507 HydrophobicContact CG-CG2 4.44Å; I435-V507 HydrophobicContact CD1-CG1 4.08Å; I435-V507 HydrophobicContact CG1-CG1 4.09Å; V445-V507 HydrophobicContact CB-CG2 4.42Å; V445-V507 HydrophobicContact CG1-CG2 3.76Å; V445-V507 HydrophobicContact CG2-CG2 3.7Å; C503-V507 PolarHBondContact O-N 3.13Å; L504-V507 HydrophobicContact CD1-CB 4.49Å; L504-V507 WeakPolarHBondContact O-CB 3.43Å; L504-V507 PolarHBondContact O-N 3.45Å; L504-V507 VanDerWaalsContact O-N 3.09Å; E505-V507 VanDerWaalsContact C-N 3.34Å; E505-V507 PolarHBondContact O-N 2.86Å; V507-I509 PolarHBondContact O-N 2.83Å; V507-K510 CarbonylContact O-C 3.5Å; V507-K510 PolarHBondContact O-N 3.1Å; V507-K510 VanDerWaalsContact O-N 3.15Å; V507-S511 WeakPolarHBondContact O-CB 3.44Å; V507-S511 PolarHBondContact O-N 2.94Å; V507-S511 PolarHBondContact O-OG 2.85Å; V507-S511 VanDerWaalsContact O-OG 3.04Å
508L93.9Very high85.6Confident1 Ų153.1 Ų53.11%0.00528%0.283CS..Hα-helixtrans-58.9-44.6-179.6-74.3160.5000112.6I404 H407 L504 E505 S511 H512 P518 F520I404-L508 HydrophobicContact CB-CD2 4.15Å; I404-L508 HydrophobicContact CG1-CD2 3.58Å; I404-L508 HydrophobicContact CG1-CG 4.33Å; H407-L508 HydrophobicContact CB-CD2 3.71Å; H407-L508 PolarHBondContact CD2-O 3.25Å; H407-L508 PolarHBondContact NE2-O 3.31Å; L504-L508 HydrophobicContact CD1-CD1 4.39Å; L504-L508 HydrophobicContact CD1-CG 4.42Å; L504-L508 HydrophobicContact CD2-CD1 4.4Å; L504-L508 HydrophobicContact CG-CD1 3.81Å; L504-L508 HydrophobicContact CG-CG 4.34Å; L504-L508 WeakPolarHBondContact O-CG 3.34Å; L504-L508 PolarHBondContact O-N 3Å; E505-L508 PolarHBondContact O-N 3Å; L508-S511 PolarHBondContact O-N 2.94Å; L508-H512 PolarHBondContact O-N 2.93Å; L508-P518 HydrophobicContact CB-CB 3.87Å; L508-P518 HydrophobicContact CB-CG 3.74Å; L508-P518 HydrophobicContact CD1-CB 3.68Å; L508-P518 HydrophobicContact CD1-CG 3.72Å; L508-P518 HydrophobicContact CG-CB 4.24Å; L508-P518 HydrophobicContact CG-CG 4.34Å; L508-F520 HydrophobicContact CD1-CD1 3.83Å; L508-F520 HydrophobicContact CD1-CE1 3.35Å; L508-F520 HydrophobicContact CD1-CZ 4.12Å
509I91Very high86.1Confident29 Ų2955.2 Ų55.215%0.14930%0.303CS..Hα-helixtrans-58.1-51.9174.4-70.3168.1000109.8E505 V507 S511 H512 N515 R517E505-I509 HydrophobicContact CG-CD1 3.95Å; E505-I509 VanDerWaalsContact O-CG1 3.28Å; E505-I509 WeakPolarHBondContact O-CG1 2.91Å; E505-I509 PolarHBondContact O-N 3.09Å; V507-I509 PolarHBondContact O-N 2.83Å; I509-S511 PolarHBondContact O-N 2.92Å; I509-H512 PolarHBondContact O-N 3.12Å; I509-N515 HydrophobicContact CG2-CB 3.85Å; I509-N515 WeakPolarHBondContact O-CA 3.23Å; I509-N515 PolarHBondContact O-OD1 3.42Å; I509-R517 HydrophobicContact CD1-CG 4.11Å; I509-R517 HydrophobicContact CG1-CG 4.32Å
510K93.1Very high86.9Confident104 Ų10449.7 Ų49.745%0.45227%0.273SS..Hα-helixtrans-68-19.7-177.7-70.2-65.4-174.2-178.90114.1P433 H506 V507P433-K510 HydrophobicContact CG-CB 4.04Å; H506-K510 WeakPolarHBondContact O-CB 3.49Å; H506-K510 WeakPolarHBondContact O-CG 3.41Å; H506-K510 PolarHBondContact O-N 3.44Å; H506-K510 VanDerWaalsContact O-N 3.08Å; V507-K510 CarbonylContact O-C 3.5Å; V507-K510 PolarHBondContact O-N 3.1Å; V507-K510 VanDerWaalsContact O-N 3.15Å
511S92.3Very high87.6Confident3 Ų346.6 Ų46.62%0.02125%0.253CS..Hα-helixtrans-82.7-24.3176.3-66.90000113.7L408 Y430 H431 V507 L508 I509L408-S511 WeakPolarHBondContact CD2-O 3.39Å; Y430-S511 VanDerWaalsContact CD2-OG 3.25Å; Y430-S511 WeakPolarHBondContact CD2-OG 3.42Å; Y430-S511 WeakPolarHBondContact CE2-OG 3.42Å; H431-S511 VanDerWaalsContact O-CA 3.22Å; H431-S511 WeakPolarHBondContact O-CA 3.29Å; H431-S511 WeakPolarHBondContact O-CB 3.44Å; H431-S511 PolarHBondContact O-OG 2.85Å; V507-S511 WeakPolarHBondContact O-CB 3.44Å; V507-S511 PolarHBondContact O-N 2.94Å; V507-S511 PolarHBondContact O-OG 2.85Å; V507-S511 VanDerWaalsContact O-OG 3.04Å; L508-S511 PolarHBondContact O-N 2.94Å; I509-S511 PolarHBondContact O-N 2.92Å
512H90.6Very high88Confident33 Ų3344.9 Ų44.915%0.15324%0.241CC..SBendtrans-81.6132.5-179.2-167.2-71.9000111.3H407 L408 L508 I509 C514 N515 N516H407-H512 AromaticContact NE2-CD2 3.72Å; H407-H512 AromaticContact NE2-CG 3.94Å; L408-H512 HydrophobicContact CD2-CB 4.05Å; L508-H512 PolarHBondContact O-N 2.93Å; I509-H512 PolarHBondContact O-N 3.12Å; H512-C514 PolarHBondContact ND1-N 3.2Å; H512-C514 VanDerWaalsContact ND1-N 3.14Å; H512-C514 PolarHBondContact O-N 2.86Å; H512-C514 VanDerWaalsContact O-N 3.13Å; H512-N515 PolarHBondContact O-N 2.84Å; H512-N516 PolarHBondContact CE1-ND2 2.91Å; H512-N516 PolarHBondContact NE2-ND2 3.48Å
513P87.6Confident88.1Confident108 Ų10844.6 Ų44.670%0.70124%0.24SC*.THydrogen-bonded Turntrans-53.1-39.2-177.9-28.234.6000114.3
514C86.7Confident88.2Confident92 Ų9246 Ų4662%0.62225%0.246SC*.THydrogen-bonded Turntrans-91.16.6177.7-53.80000115.1H512 N516H512-C514 PolarHBondContact ND1-N 3.2Å; H512-C514 VanDerWaalsContact ND1-N 3.14Å; H512-C514 PolarHBondContact O-N 2.86Å; H512-C514 VanDerWaalsContact O-N 3.13Å; C514-N516 PolarHBondContact O-N 3.45Å
515N81.8Confident88.3Confident87 Ų8746 Ų4647%0.46525%0.246SC..  trans53.236.3-170.2-61.3-72000113.9I509 H512I509-N515 HydrophobicContact CG2-CB 3.85Å; I509-N515 WeakPolarHBondContact O-CA 3.23Å; I509-N515 PolarHBondContact O-OD1 3.42Å; H512-N515 PolarHBondContact O-N 2.84Å
516N77Confident88.6Confident83 Ų8345.7 Ų45.744%0.44424%0.244SC..PPolyproline II helixtrans-64.8145.6177.1-73.7-4.1000110.6H407 H512 C514H407-N516 PolarHBondContact CE1-O 2.81Å; H407-N516 PolarHBondContact NE2-O 2.9Å; H512-N516 PolarHBondContact CE1-ND2 2.91Å; H512-N516 PolarHBondContact NE2-ND2 3.48Å; C514-N516 PolarHBondContact O-N 3.45Å
517R75.5Confident88.9Confident98 Ų9842 Ų4237%0.3723%0.227SC..PPolyproline II helixtrans-75.6140.1175.1-72.6-166.4-179.7-88-9.4111.3M31 S32 H407 E505 I509M31-R517 VanDerWaalsContact C-CZ 3.4Å; M31-R517 PolarHBondContact O-NE 3.2Å; M31-R517 PolarHBondContact O-NH2 3.05Å; M31-R517 VanDerWaalsContact O-NH2 3.07Å; S32-R517 VanDerWaalsContact CA-NH1 3.35Å; S32-R517 VanDerWaalsContact N-NH2 3.17Å; H407-R517 VanDerWaalsContact CE1-C 3.46Å; H407-R517 PolarHBondContact CE1-O 3.5Å; E505-R517 IonicContact OE1-CZ 3.61Å; E505-R517 IonicContact OE1-NH1 2.94Å; E505-R517 PolarHBondContact OE1-NH1 3.35Å; E505-R517 IonicContact OE2-NH1 3.91Å; I509-R517 HydrophobicContact CD1-CG 4.11Å; I509-R517 HydrophobicContact CG1-CG 4.32Å
518P81.2Confident89.1Confident14 Ų1442 Ų429%0.09123%0.227CC..PPolyproline II helixtrans-77.2157.9177.535.2-38.7000112.3H407 E505 L508 F520H407-P518 WeakPolarHBondContact CE1-CA 3.28Å; H407-P518 VanDerWaalsContact ND1-CA 3.34Å; H407-P518 WeakPolarHBondContact ND1-CA 3.29Å; E505-P518 HydrophobicContact CG-CG 3.92Å; L508-P518 HydrophobicContact CB-CB 3.87Å; L508-P518 HydrophobicContact CB-CG 3.74Å; L508-P518 HydrophobicContact CD1-CB 3.68Å; L508-P518 HydrophobicContact CD1-CG 3.72Å; L508-P518 HydrophobicContact CG-CB 4.24Å; L508-P518 HydrophobicContact CG-CG 4.34Å; P518-F520 HydrophobicContact CB-CD1 4.03Å; P518-F520 HydrophobicContact CB-CE1 4.29Å; P518-F520 HydrophobicContact CG-CD1 4.19Å; P518-F520 HydrophobicContact CG-CE1 3.99Å
519T78.3Confident89.3Confident135 Ų13542 Ų4283%0.82823%0.227SC*.  trans-118.1101.9170.352.80000109
520F85.9Confident89.7Confident20 Ų2040.6 Ų40.69%0.08822%0.22CC..  trans-154.3160171.774.1-80.4000109.8L403 A495 F496 L504 L508 P518 L525L403-F520 HydrophobicContact CD1-CD2 3.68Å; L403-F520 HydrophobicContact CD1-CE2 4Å; L403-F520 HydrophobicContact CD1-CG 4.08Å; L403-F520 HydrophobicContact CD2-CB 3.9Å; L403-F520 HydrophobicContact CD2-CD2 4.5Å; L403-F520 HydrophobicContact CD2-CG 4.3Å; A495-F520 HydrophobicContact CB-CE2 4.2Å; A495-F520 HydrophobicContact CB-CZ 4.32Å; F496-F520 HydrophobicContact CD2-CZ 4.33Å; F496-F520 HydrophobicContact CE1-CD1 4.32Å; F496-F520 AromaticContact CE1-CE1 3.69Å; F496-F520 HydrophobicContact CE1-CE1 3.69Å; F496-F520 AromaticContact CE1-CZ 3.89Å; F496-F520 HydrophobicContact CE1-CZ 3.89Å; F496-F520 HydrophobicContact CE2-CD2 4.11Å; F496-F520 HydrophobicContact CE2-CE1 4.05Å; F496-F520 AromaticContact CE2-CE2 3.58Å; F496-F520 HydrophobicContact CE2-CE2 3.58Å; F496-F520 AromaticContact CE2-CZ 3.54Å; F496-F520 HydrophobicContact CE2-CZ 3.54Å; F496-F520 AromaticContact CZ-CD1 3.69Å; F496-F520 HydrophobicContact CZ-CD1 3.69Å; F496-F520 HydrophobicContact CZ-CD2 4.04Å; F496-F520 AromaticContact CZ-CE1 3.29Å; F496-F520 HydrophobicContact CZ-CE1 3.29Å; F496-F520 AromaticContact CZ-CE2 3.68Å; F496-F520 HydrophobicContact CZ-CE2 3.68Å; F496-F520 HydrophobicContact CZ-CG 4.04Å; F496-F520 AromaticContact CZ-CZ 3.28Å; F496-F520 HydrophobicContact CZ-CZ 3.28Å; F496-F520 VanDerWaalsContact CZ-O 3.25Å; F496-F520 WeakPolarHBondContact CZ-O 3.26Å; L504-F520 HydrophobicContact CB-CZ 4.34Å; L504-F520 HydrophobicContact CD2-CE2 4.1Å; L504-F520 HydrophobicContact CD2-CZ 3.93Å; L504-F520 HydrophobicContact CG-CZ 4.2Å; L508-F520 HydrophobicContact CD1-CD1 3.83Å; L508-F520 HydrophobicContact CD1-CE1 3.35Å; L508-F520 HydrophobicContact CD1-CZ 4.12Å; P518-F520 HydrophobicContact CB-CD1 4.03Å; P518-F520 HydrophobicContact CB-CE1 4.29Å; P518-F520 HydrophobicContact CG-CD1 4.19Å; P518-F520 HydrophobicContact CG-CE1 3.99Å; F520-L525 HydrophobicContact CE2-CB 4.42Å; F520-L525 HydrophobicContact CE2-CD2 4.47Å
521S86.4Confident90Very high10 Ų1035.8 Ų35.87%0.0720%0.199CC..  trans-104.9157.7172.477.30000112.5D300 A523 K524 L525D300-S521 VanDerWaalsContact CG-OG 3.29Å; D300-S521 WeakPolarHBondContact OD2-CB 3.47Å; D300-S521 PolarHBondContact OD2-OG 3.34Å; S521-A523 PolarHBondContact O-N 3.25Å; S521-A523 WeakPolarHBondContact OG-CB 3.46Å; S521-A523 PolarHBondContact OG-N 2.96Å; S521-K524 WeakPolarHBondContact O-CB 3.24Å; S521-K524 PolarHBondContact O-N 2.93Å; S521-K524 VanDerWaalsContact O-N 3.17Å; S521-K524 PolarHBondContact OG-N 3.37Å; S521-L525 PolarHBondContact O-N 2.85Å; S521-L525 VanDerWaalsContact O-N 3.14Å
522I90Very high90.3Very high31 Ų3135.6 Ų35.616%0.15920%0.198CC..Hα-helixtrans-57.2-37169.7-67.3173.7000110.7A365 A495 F496 L525 I526A365-I522 HydrophobicContact CB-CG2 3.78Å; A495-I522 HydrophobicContact CB-CG1 4.16Å; F496-I522 HydrophobicContact CD2-CD1 4.33Å; F496-I522 HydrophobicContact CD2-CG1 3.89Å; F496-I522 HydrophobicContact CE2-CG1 4.15Å; I522-L525 PolarHBondContact O-N 3.4Å; I522-I526 HydrophobicContact CG2-CD1 3.96Å; I522-I526 HydrophobicContact CG2-CG1 4.4Å; I522-I526 VanDerWaalsContact O-CG1 3.32Å; I522-I526 WeakPolarHBondContact O-CG1 3.35Å; I522-I526 PolarHBondContact O-N 2.94Å
523A92Very high90.6Very high1 Ų134 Ų341%0.00819%0.191CC..Hα-helixtrans-58.4-48.517500000111.9F296 N297 Y301 S521 L525 I526 S527F296-A523 HydrophobicContact CD1-CB 4.38Å; F296-A523 HydrophobicContact CD2-CB 4.26Å; F296-A523 HydrophobicContact CE1-CB 3.9Å; F296-A523 HydrophobicContact CE2-CB 3.75Å; F296-A523 HydrophobicContact CZ-CB 3.56Å; N297-A523 HydrophobicContact CB-CB 4.11Å; N297-A523 WeakPolarHBondContact O-CB 3.24Å; Y301-A523 HydrophobicContact CD2-CB 4.43Å; Y301-A523 WeakPolarHBondContact CD2-O 3.38Å; S521-A523 PolarHBondContact O-N 3.25Å; S521-A523 WeakPolarHBondContact OG-CB 3.46Å; S521-A523 PolarHBondContact OG-N 2.96Å; A523-L525 VanDerWaalsContact C-N 3.34Å; A523-L525 PolarHBondContact O-N 3.37Å; A523-I526 PolarHBondContact O-N 3.5Å; A523-S527 WeakPolarHBondContact O-CB 3.3Å; A523-S527 PolarHBondContact O-N 3.34Å
524K95Very high91.1Very high31 Ų3129.7 Ų29.714%0.13516%0.161CC..Hα-helixtrans-56.1-47.9175.1-165.9174.7-175.6-177.60111.8D300 T304 L403 E406 S521 I526 S527 L528D300-K524 WeakPolarHBondContact OD2-CB 3.39Å; T304-K524 HydrophobicContact CG2-CG 3.83Å; L403-K524 HydrophobicContact CD2-CD 3.97Å; L403-K524 HydrophobicContact CD2-CG 4.4Å; E406-K524 IonicContact OE1-NZ 2.77Å; E406-K524 PolarHBondContact OE1-NZ 2.98Å; E406-K524 WeakPolarHBondContact OE2-CE 3.39Å; E406-K524 IonicContact OE2-NZ 3.2Å; E406-K524 PolarHBondContact OE2-NZ 2.9Å; S521-K524 WeakPolarHBondContact O-CB 3.24Å; S521-K524 PolarHBondContact O-N 2.93Å; S521-K524 VanDerWaalsContact O-N 3.17Å; S521-K524 PolarHBondContact OG-N 3.37Å; K524-I526 PolarHBondContact O-N 2.97Å; K524-S527 WeakPolarHBondContact O-CB 3.19Å; K524-S527 PolarHBondContact O-N 3.23Å; K524-L528 HydrophobicContact CG-CD1 4.23Å; K524-L528 WeakPolarHBondContact O-CG 3.27Å; K524-L528 PolarHBondContact O-N 3.21Å
525L97.9Very high91.6Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-58.7-49.4178.8175.459.6000111.6A365 A399 L403 I493 A495 L504 F520 S521 I522 A523 S527 L528 V529A365-L525 HydrophobicContact CB-CD2 4.09Å; A399-L525 HydrophobicContact CB-CD1 4.17Å; L403-L525 HydrophobicContact CD1-CB 4.24Å; L403-L525 HydrophobicContact CD1-CD1 3.93Å; I493-L525 HydrophobicContact CB-CD2 4.35Å; I493-L525 HydrophobicContact CD1-CD2 4.42Å; I493-L525 HydrophobicContact CD1-CG 4.38Å; I493-L525 HydrophobicContact CG2-CD2 3.96Å; A495-L525 HydrophobicContact CB-CD2 3.88Å; L504-L525 HydrophobicContact CD2-CD1 4.2Å; L504-L525 HydrophobicContact CD2-CD2 4.17Å; F520-L525 HydrophobicContact CE2-CB 4.42Å; F520-L525 HydrophobicContact CE2-CD2 4.47Å; S521-L525 PolarHBondContact O-N 2.85Å; S521-L525 VanDerWaalsContact O-N 3.14Å; I522-L525 PolarHBondContact O-N 3.4Å; A523-L525 VanDerWaalsContact C-N 3.34Å; A523-L525 PolarHBondContact O-N 3.37Å; L525-S527 VanDerWaalsContact C-N 3.3Å; L525-S527 PolarHBondContact O-N 3.47Å; L525-L528 PolarHBondContact O-N 3.04Å; L525-V529 HydrophobicContact CD1-CG2 4.35Å; L525-V529 VanDerWaalsContact O-CG2 3.31Å; L525-V529 WeakPolarHBondContact O-CG2 3.45Å; L525-V529 PolarHBondContact O-N 3.44Å
526I98.5Very high92.3Very high2 Ų222.8 Ų22.81%0.0112%0.115CC..Hα-helixtrans-59.2-44.7177.5-64.7173.1000110.5F296 Y301 L341 C343 A365 F367 I522 A523 K524 V529 V530F296-I526 HydrophobicContact CE2-CD1 4.16Å; Y301-I526 HydrophobicContact CE2-CB 4.3Å; Y301-I526 HydrophobicContact CE2-CG2 3.9Å; L341-I526 HydrophobicContact CD1-CG2 3.71Å; L341-I526 HydrophobicContact CD2-CG2 4.19Å; C343-I526 HydrophobicContact CB-CD1 4.25Å; A365-I526 HydrophobicContact CB-CD1 4.19Å; A365-I526 HydrophobicContact CB-CG1 3.8Å; F367-I526 HydrophobicContact CB-CD1 4.35Å; F367-I526 HydrophobicContact CD1-CB 4.49Å; F367-I526 HydrophobicContact CD1-CD1 3.93Å; F367-I526 HydrophobicContact CD1-CG1 3.66Å; F367-I526 HydrophobicContact CD1-CG2 4.16Å; F367-I526 HydrophobicContact CD2-CG2 3.96Å; F367-I526 HydrophobicContact CE1-CB 4.44Å; F367-I526 HydrophobicContact CE1-CG1 3.8Å; F367-I526 HydrophobicContact CE1-CG2 4.3Å; F367-I526 HydrophobicContact CE2-CG2 4.09Å; F367-I526 HydrophobicContact CG-CD1 4.29Å; F367-I526 HydrophobicContact CG-CG1 4.25Å; F367-I526 HydrophobicContact CG-CG2 3.99Å; F367-I526 HydrophobicContact CZ-CG1 4.48Å; F367-I526 HydrophobicContact CZ-CG2 4.25Å; I522-I526 HydrophobicContact CG2-CD1 3.96Å; I522-I526 HydrophobicContact CG2-CG1 4.4Å; I522-I526 VanDerWaalsContact O-CG1 3.32Å; I522-I526 WeakPolarHBondContact O-CG1 3.35Å; I522-I526 PolarHBondContact O-N 2.94Å; A523-I526 PolarHBondContact O-N 3.5Å; K524-I526 PolarHBondContact O-N 2.97Å; I526-V529 PolarHBondContact O-N 3.07Å; I526-V530 PolarHBondContact O-N 3.37Å
527S98.3Very high93.1Very high0 Ų019.3 Ų19.30%010%0.097CC..Hα-helixtrans-60.9-45.5179.8-172.70000112.6Y301 T304 L305 A523 K524 L525 V529 V530 S531Y301-S527 WeakPolarHBondContact O-CB 3.28Å; Y301-S527 PolarHBondContact O-OG 3.3Å; Y301-S527 VanDerWaalsContact O-OG 3.06Å; T304-S527 PolarHBondContact O-OG 3.3Å; L305-S527 WeakPolarHBondContact CA-OG 3.27Å; L305-S527 VanDerWaalsContact CB-OG 3.3Å; L305-S527 WeakPolarHBondContact CB-OG 3.39Å; L305-S527 PolarHBondContact N-OG 2.81Å; L305-S527 VanDerWaalsContact N-OG 3.08Å; A523-S527 WeakPolarHBondContact O-CB 3.3Å; A523-S527 PolarHBondContact O-N 3.34Å; K524-S527 WeakPolarHBondContact O-CB 3.19Å; K524-S527 PolarHBondContact O-N 3.23Å; L525-S527 VanDerWaalsContact C-N 3.3Å; L525-S527 PolarHBondContact O-N 3.47Å; S527-V529 PolarHBondContact O-N 2.88Å; S527-V530 WeakPolarHBondContact O-CG2 3.47Å; S527-V530 PolarHBondContact O-N 2.78Å; S527-S531 VanDerWaalsContact O-CB 3.26Å; S527-S531 WeakPolarHBondContact O-CB 3.5Å; S527-S531 PolarHBondContact O-N 2.8Å; S527-S531 PolarHBondContact O-OG 3.31Å
528L98.5Very high94Very high1 Ų118.7 Ų18.71%0.00510%0.099CC..Hα-helixtrans-60.8-44.2175.9-74.2171.5000111.2T304 A399 L403 F417 K524 L525 V530 S531 Y532T304-L528 HydrophobicContact CG2-CD2 3.64Å; T304-L528 HydrophobicContact CG2-CG 3.74Å; A399-L528 HydrophobicContact CB-CB 3.66Å; L403-L528 HydrophobicContact CD1-CD1 4.49Å; L403-L528 HydrophobicContact CD2-CD1 3.79Å; L403-L528 HydrophobicContact CG-CD1 3.88Å; F417-L528 HydrophobicContact CD2-CD2 4.29Å; F417-L528 HydrophobicContact CE2-CD2 4.13Å; K524-L528 HydrophobicContact CG-CD1 4.23Å; K524-L528 WeakPolarHBondContact O-CG 3.27Å; K524-L528 PolarHBondContact O-N 3.21Å; L525-L528 PolarHBondContact O-N 3.04Å; L528-V530 PolarHBondContact O-N 3Å; L528-S531 PolarHBondContact O-N 3.45Å; L528-Y532 HydrophobicContact CB-CD2 4.48Å; L528-Y532 HydrophobicContact CB-CE2 4.43Å; L528-Y532 HydrophobicContact CD2-CE2 4.22Å; L528-Y532 WeakPolarHBondContact O-CD2 3.28Å; L528-Y532 PolarHBondContact O-N 3.47Å
529V98.7Very high94.5Very high0 Ų020.3 Ų20.30%010%0.104CC..Hα-helixtrans-58.1-50.1-180173.30000111.5F367 I396 A399 I493 L525 I526 S527 S531 L533F367-V529 HydrophobicContact CE2-CG1 4.5Å; F367-V529 HydrophobicContact CZ-CB 4.24Å; F367-V529 HydrophobicContact CZ-CG1 4Å; I396-V529 HydrophobicContact CG1-CG1 3.86Å; I396-V529 HydrophobicContact CG1-CG2 4.14Å; A399-V529 HydrophobicContact CB-CB 4.43Å; A399-V529 HydrophobicContact CB-CG2 3.57Å; I493-V529 HydrophobicContact CD1-CG2 3.87Å; L525-V529 HydrophobicContact CD1-CG2 4.35Å; L525-V529 VanDerWaalsContact O-CG2 3.31Å; L525-V529 WeakPolarHBondContact O-CG2 3.45Å; L525-V529 PolarHBondContact O-N 3.44Å; I526-V529 PolarHBondContact O-N 3.07Å; S527-V529 PolarHBondContact O-N 2.88Å; V529-S531 VanDerWaalsContact C-N 3.32Å; V529-S531 PolarHBondContact O-N 3.38Å; V529-L533 WeakPolarHBondContact O-CB 3.47Å; V529-L533 PolarHBondContact O-N 3.32Å
530V98.5Very high95.2Very high0 Ų014.3 Ų14.30%07%0.066CC..Hα-helixtrans-71.2-29.2-179.9-61.80000112.4L305 T307 L310 L341 F367 F369 I526 S527 L528 E534L305-V530 HydrophobicContact CD1-CG2 3.51Å; T307-V530 HydrophobicContact CG2-CB 4.45Å; T307-V530 HydrophobicContact CG2-CG2 4.16Å; T307-V530 WeakPolarHBondContact CG2-O 3.36Å; L310-V530 HydrophobicContact CB-CB 4.35Å; L341-V530 HydrophobicContact CD1-CG1 3.81Å; F367-V530 HydrophobicContact CE2-CG1 4.35Å; F369-V530 HydrophobicContact CD1-CG1 4.43Å; I526-V530 PolarHBondContact O-N 3.37Å; S527-V530 WeakPolarHBondContact O-CG2 3.47Å; S527-V530 PolarHBondContact O-N 2.78Å; L528-V530 PolarHBondContact O-N 3Å; V530-E534 WeakPolarHBondContact O-CB 3.4Å; V530-E534 PolarHBondContact O-N 3.29Å
531S98.6Very high95.3Very high2 Ų215.3 Ų15.31%0.0147%0.07CC..Hα-helixtrans-68.4-46.4176-60.70000112.1H306 S527 L528 V529 R535H306-S531 PolarHBondContact N-OG 2.86Å; S527-S531 VanDerWaalsContact O-CB 3.26Å; S527-S531 WeakPolarHBondContact O-CB 3.5Å; S527-S531 PolarHBondContact O-N 2.8Å; S527-S531 PolarHBondContact O-OG 3.31Å; L528-S531 PolarHBondContact O-N 3.45Å; V529-S531 VanDerWaalsContact C-N 3.32Å; V529-S531 PolarHBondContact O-N 3.38Å; S531-R535 VanDerWaalsContact O-CB 3.23Å; S531-R535 WeakPolarHBondContact O-CB 3.39Å; S531-R535 PolarHBondContact O-N 2.9Å
532Y98.6Very high95.5Very high0 Ų018.6 Ų18.60%09%0.086CC..Hα-helixtrans-63.8-41.2173.7-79.4-69.2000111.8L398 A399 H402 F417 L425 L528 R535 I536L398-Y532 HydrophobicContact CB-CD1 3.96Å; L398-Y532 HydrophobicContact CB-CD2 3.96Å; L398-Y532 HydrophobicContact CB-CE1 4.24Å; L398-Y532 HydrophobicContact CB-CE2 4.28Å; L398-Y532 HydrophobicContact CB-CG 3.84Å; L398-Y532 HydrophobicContact CD1-CD1 3.93Å; L398-Y532 HydrophobicContact CD1-CG 4.23Å; A399-Y532 HydrophobicContact CB-CD2 4.22Å; H402-Y532 HydrophobicContact CB-CE2 4.13Å; H402-Y532 AromaticContact ND1-CZ 3.99Å; H402-Y532 PolarHBondContact ND1-OH 3.01Å; F417-Y532 HydrophobicContact CE2-CD1 4.32Å; F417-Y532 HydrophobicContact CE2-CD2 4.18Å; F417-Y532 AromaticContact CE2-CE1 3.91Å; F417-Y532 HydrophobicContact CE2-CE1 3.91Å; F417-Y532 AromaticContact CE2-CE2 3.72Å; F417-Y532 HydrophobicContact CE2-CE2 3.72Å; F417-Y532 HydrophobicContact CE2-CG 4.42Å; F417-Y532 AromaticContact CE2-CZ 3.53Å; F417-Y532 HydrophobicContact CZ-CD1 4.07Å; F417-Y532 HydrophobicContact CZ-CD2 4.4Å; F417-Y532 HydrophobicContact CZ-CE1 4.03Å; F417-Y532 HydrophobicContact CZ-CE2 4.33Å; F417-Y532 HydrophobicContact CZ-CG 4.23Å; L425-Y532 HydrophobicContact CD1-CE1 3.75Å; L425-Y532 HydrophobicContact CD1-CE2 4.39Å; L425-Y532 WeakPolarHBondContact CD1-OH 3.35Å; L528-Y532 HydrophobicContact CB-CD2 4.48Å; L528-Y532 HydrophobicContact CB-CE2 4.43Å; L528-Y532 HydrophobicContact CD2-CE2 4.22Å; L528-Y532 WeakPolarHBondContact O-CD2 3.28Å; L528-Y532 PolarHBondContact O-N 3.47Å; Y532-R535 VanDerWaalsContact CE1-NH2 3.28Å; Y532-R535 PolarHBondContact O-N 2.79Å; Y532-I536 VanDerWaalsContact O-CG1 3.31Å; Y532-I536 WeakPolarHBondContact O-CG1 3.4Å; Y532-I536 PolarHBondContact O-N 2.96Å
533L98.2Very high95.2Very high0 Ų023 Ų230%012%0.118CC..Hα-helixtrans-59.3-52.9178.4174.260.1000111.7L310 F369 I388 I391 V392 S395 V529 R535 I536 I537L310-L533 HydrophobicContact CD1-CD2 4.02Å; L310-L533 HydrophobicContact CD1-CG 4.21Å; F369-L533 HydrophobicContact CE1-CD2 4.46Å; F369-L533 HydrophobicContact CE2-CD2 3.39Å; F369-L533 HydrophobicContact CZ-CD2 3.28Å; I388-L533 HydrophobicContact CD1-CD1 4.44Å; I391-L533 HydrophobicContact CB-CD1 4.25Å; I391-L533 HydrophobicContact CG2-CD1 3.47Å; I391-L533 VanDerWaalsContact CG2-CD1 3.47Å; V392-L533 HydrophobicContact CG2-CD1 3.99Å; V392-L533 HydrophobicContact CG2-CD2 4.05Å; S395-L533 VanDerWaalsContact OG-CA 3.23Å; S395-L533 WeakPolarHBondContact OG-CA 3.27Å; S395-L533 PolarHBondContact OG-N 3.49Å; V529-L533 WeakPolarHBondContact O-CB 3.47Å; V529-L533 PolarHBondContact O-N 3.32Å; L533-R535 VanDerWaalsContact C-N 3.32Å; L533-R535 PolarHBondContact O-N 2.87Å; L533-I536 PolarHBondContact O-N 3.05Å; L533-I537 HydrophobicContact CD1-CD1 3.69Å; L533-I537 HydrophobicContact CD1-CG1 4.31Å; L533-I537 HydrophobicContact CG-CD1 3.93Å; L533-I537 WeakPolarHBondContact O-CG1 3.39Å; L533-I537 PolarHBondContact O-N 2.95Å
534E97.4Very high94.9Very high16 Ų1630 Ų308%0.07516%0.155CC..Hα-helixtrans-65.4-38.4-179.7-156.2-178.98000111.4T307 E308 H309 L310 V530 I536 I537 M538T307-E534 WeakPolarHBondContact CA-OE1 3.38Å; T307-E534 VanDerWaalsContact CB-OE1 3.31Å; T307-E534 WeakPolarHBondContact CB-OE1 3.28Å; T307-E534 HydrophobicContact CG2-CB 4.03Å; E308-E534 PolarHBondContact N-OE1 2.71Å; H309-E534 WeakPolarHBondContact CA-OE2 3.33Å; H309-E534 PolarHBondContact N-OE2 3.1Å; L310-E534 WeakPolarHBondContact CB-OE2 3.45Å; L310-E534 HydrophobicContact CD1-CB 4.02Å; L310-E534 HydrophobicContact CD1-CG 4.31Å; L310-E534 HydrophobicContact CG-CB 4.47Å; L310-E534 HydrophobicContact CG-CG 4.36Å; L310-E534 WeakPolarHBondContact CG-OE2 3.38Å; L310-E534 PolarHBondContact N-OE2 3.02Å; V530-E534 WeakPolarHBondContact O-CB 3.4Å; V530-E534 PolarHBondContact O-N 3.29Å; E534-I536 PolarHBondContact O-N 2.73Å; E534-I537 PolarHBondContact O-N 3.4Å; E534-M538 HydrophobicContact CG-CG 4.32Å; E534-M538 WeakPolarHBondContact O-CB 3.44Å; E534-M538 VanDerWaalsContact O-CG 3.24Å; E534-M538 WeakPolarHBondContact O-CG 3.33Å; E534-M538 PolarHBondContact O-N 2.73Å
535R96.9Very high94.6Very high34 Ų3429.9 Ų29.913%0.12816%0.158CC..Hα-helixtrans-61-44.8176.7-171.7169.476.2172.620.3112.3F417 I420 E422 S531 Y532 L533 M538 R539F417-R535 PolarHBondContact O-NH1 2.8Å; I420-R535 PolarHBondContact O-NH1 3.41Å; I420-R535 PolarHBondContact O-NH2 2.93Å; E422-R535 IonicContact OE1-CZ 3.6Å; E422-R535 IonicContact OE1-NE 3.86Å; E422-R535 PolarHBondContact OE1-NE 2.94Å; E422-R535 IonicContact OE1-NH2 2.71Å; E422-R535 PolarHBondContact OE1-NH2 3.28Å; E422-R535 IonicContact OE2-CZ 2.9Å; E422-R535 IonicContact OE2-NH2 3.84Å; E422-R535 PolarHBondContact OE2-NH2 3.37Å; E422-R535 VanDerWaalsContact OE2-NH2 3.12Å; S531-R535 VanDerWaalsContact O-CB 3.23Å; S531-R535 WeakPolarHBondContact O-CB 3.39Å; S531-R535 PolarHBondContact O-N 2.9Å; Y532-R535 VanDerWaalsContact CE1-NH2 3.28Å; Y532-R535 PolarHBondContact O-N 2.79Å; L533-R535 VanDerWaalsContact C-N 3.32Å; L533-R535 PolarHBondContact O-N 2.87Å; R535-M538 PolarHBondContact O-N 2.82Å; R535-R539 WeakPolarHBondContact O-CB 3.5Å; R535-R539 WeakPolarHBondContact O-CG 3.42Å; R535-R539 PolarHBondContact O-N 3.47Å
536I96.7Very high94.2Very high0 Ų037.8 Ų37.80%020%0.2CC..Hα-helixtrans-61.9-46.5176.1-71.4163000110.4I391 L394 L398 E422 Y532 L533 E534 R539 I540 W551 V552I391-I536 HydrophobicContact CG2-CB 4.15Å; I391-I536 HydrophobicContact CG2-CD1 4.45Å; I391-I536 HydrophobicContact CG2-CG2 3.66Å; L394-I536 HydrophobicContact CD2-CD1 4.21Å; L394-I536 HydrophobicContact CG-CD1 4.48Å; L398-I536 HydrophobicContact CD1-CD1 3.78Å; E422-I536 HydrophobicContact CG-CG1 4.36Å; Y532-I536 VanDerWaalsContact O-CG1 3.31Å; Y532-I536 WeakPolarHBondContact O-CG1 3.4Å; Y532-I536 PolarHBondContact O-N 2.96Å; L533-I536 PolarHBondContact O-N 3.05Å; E534-I536 PolarHBondContact O-N 2.73Å; I536-R539 PolarHBondContact O-N 3.23Å; I536-I540 PolarHBondContact O-N 3.5Å; I536-I540 VanDerWaalsContact O-N 3.08Å; I536-W551 HydrophobicContact CG1-CH2 4.16Å; I536-W551 HydrophobicContact CG1-CZ3 4.32Å; I536-W551 HydrophobicContact CG2-CZ3 4.09Å; I536-V552 HydrophobicContact CG2-CG2 3.69Å
537I94.6Very high94Very high11 Ų1141.6 Ų41.66%0.05622%0.215CC..Hα-helixtrans-60.1-48.6177.9-68.7165.2000110.4L371 L373 I388 L533 E534 R539 I540 Y541L371-I537 HydrophobicContact CD1-CD1 4.12Å; L371-I537 HydrophobicContact CD2-CD1 3.67Å; L373-I537 HydrophobicContact CD2-CD1 4.24Å; L373-I537 HydrophobicContact CD2-CG2 3.73Å; I388-I537 HydrophobicContact CD1-CD1 4.21Å; L533-I537 HydrophobicContact CD1-CD1 3.69Å; L533-I537 HydrophobicContact CD1-CG1 4.31Å; L533-I537 HydrophobicContact CG-CD1 3.93Å; L533-I537 WeakPolarHBondContact O-CG1 3.39Å; L533-I537 PolarHBondContact O-N 2.95Å; E534-I537 PolarHBondContact O-N 3.4Å; I537-R539 VanDerWaalsContact C-N 3.27Å; I537-R539 PolarHBondContact O-N 2.97Å; I537-I540 VanDerWaalsContact O-CG1 3.31Å; I537-I540 WeakPolarHBondContact O-CG1 3.2Å; I537-I540 PolarHBondContact O-N 3.4Å; I537-Y541 HydrophobicContact CG2-CD2 3.84Å; I537-Y541 HydrophobicContact CG2-CE2 4.07Å; I537-Y541 WeakPolarHBondContact O-CB 3.36Å; I537-Y541 VanDerWaalsContact O-CD2 3.24Å; I537-Y541 WeakPolarHBondContact O-CD2 3.35Å; I537-Y541 PolarHBondContact O-N 3.46Å
538M93Very high93.6Very high85 Ų8545.9 Ų45.942%0.41924%0.238SC..Hα-helixtrans-61.9-36.5-179.9-69.3-64.4-8700112E308 E534 R535 N542E308-M538 WeakPolarHBondContact OE2-CE 3.2Å; E534-M538 HydrophobicContact CG-CG 4.32Å; E534-M538 WeakPolarHBondContact O-CB 3.44Å; E534-M538 VanDerWaalsContact O-CG 3.24Å; E534-M538 WeakPolarHBondContact O-CG 3.33Å; E534-M538 PolarHBondContact O-N 2.73Å; R535-M538 PolarHBondContact O-N 2.82Å; M538-N542 WeakPolarHBondContact O-CB 3.49Å; M538-N542 PolarHBondContact O-N 3.32Å
539R93.4Very high93.3Very high48 Ų4846.7 Ų46.718%0.18124%0.242CC..Hα-helixtrans-65.5-43.1175.7-77.3-179.5-178.4-176.515113.3E422 R535 I536 I537 S545 Y547E422-R539 VanDerWaalsContact CD-NH1 3.26Å; E422-R539 IonicContact OE1-CZ 2.59Å; E422-R539 IonicContact OE1-NH1 2.8Å; E422-R539 IonicContact OE1-NH2 2.65Å; E422-R539 IonicContact OE2-CZ 3.95Å; E422-R539 IonicContact OE2-NH1 3.87Å; E422-R539 PolarHBondContact OE2-NH1 3.46Å; E422-R539 IonicContact OE2-NH2 2.72Å; E422-R539 PolarHBondContact OE2-NH2 2.79Å; R535-R539 WeakPolarHBondContact O-CB 3.5Å; R535-R539 WeakPolarHBondContact O-CG 3.42Å; R535-R539 PolarHBondContact O-N 3.47Å; I536-R539 PolarHBondContact O-N 3.23Å; I537-R539 VanDerWaalsContact C-N 3.27Å; I537-R539 PolarHBondContact O-N 2.97Å; R539-S545 WeakPolarHBondContact O-CB 3.05Å; R539-S545 PolarHBondContact O-OG 3.19Å; R539-Y547 HydrophobicContact CB-CD2 3.87Å; R539-Y547 HydrophobicContact CB-CG 4.29Å; R539-Y547 HydrophobicContact CG-CD2 3.94Å; R539-Y547 HydrophobicContact CG-CE2 4.35Å
540I92.1Very high93Very high9 Ų948.5 Ų48.55%0.04626%0.261CS..Hα-helixtrans-77.7-23.6-179.468.6-175.8000112.8I391 I536 I537 D548 W551 V552I391-I540 HydrophobicContact CD1-CD1 4.15Å; I536-I540 PolarHBondContact O-N 3.5Å; I536-I540 VanDerWaalsContact O-N 3.08Å; I537-I540 VanDerWaalsContact O-CG1 3.31Å; I537-I540 WeakPolarHBondContact O-CG1 3.2Å; I537-I540 PolarHBondContact O-N 3.4Å; I540-D548 WeakPolarHBondContact CG2-O 3.37Å; I540-W551 HydrophobicContact CG2-CE3 4.28Å; I540-W551 HydrophobicContact CG2-CZ3 4.44Å; I540-V552 HydrophobicContact CG2-CG2 3.78Å
541Y88.8Confident92.9Very high40 Ų4050 Ų5016%0.15727%0.267CS..Hα-helixtrans-90.7-14.9177.5-80.7-105.2000113.7T375 M380 F381 C384 I537 P543T375-Y541 HydrophobicContact CG2-CD1 4.29Å; T375-Y541 HydrophobicContact CG2-CE1 3.62Å; M380-Y541 HydrophobicContact CE-CD1 4.08Å; M380-Y541 HydrophobicContact CE-CE1 4.27Å; M380-Y541 HydrophobicContact CE-CG 4.22Å; F381-Y541 HydrophobicContact CD2-CE1 4.37Å; F381-Y541 WeakPolarHBondContact CD2-OH 3.46Å; C384-Y541 HydrophobicContact CB-CE2 4.32Å; C384-Y541 VanDerWaalsContact SG-CE2 3.59Å; C384-Y541 PolarHBondContact SG-OH 3.44Å; I537-Y541 HydrophobicContact CG2-CD2 3.84Å; I537-Y541 HydrophobicContact CG2-CE2 4.07Å; I537-Y541 WeakPolarHBondContact O-CB 3.36Å; I537-Y541 VanDerWaalsContact O-CD2 3.24Å; I537-Y541 WeakPolarHBondContact O-CD2 3.35Å; I537-Y541 PolarHBondContact O-N 3.46Å; Y541-P543 VanDerWaalsContact O-CD 3.26Å; Y541-P543 WeakPolarHBondContact O-CD 3.33Å
542N88.8Confident92.8Very high79 Ų7949.9 Ų49.942%0.42227%0.266SS..  trans-73.8116.1177.6178.5-0.2000110.5M538 N544 S545M538-N542 WeakPolarHBondContact O-CB 3.49Å; M538-N542 PolarHBondContact O-N 3.32Å; N542-N544 PolarHBondContact O-N 3.41Å; N542-N544 VanDerWaalsContact O-N 3.08Å; N542-N544 PolarHBondContact OD1-N 3.47Å; N542-S545 WeakPolarHBondContact O-CB 3.25Å; N542-S545 PolarHBondContact O-N 3.42Å
543P83.7Confident92.6Very high125 Ų12550.6 Ų50.681%0.81227%0.269SS*.THydrogen-bonded Turntrans-62.2-19.8-178.8-22.534.4000114.7Y541 S545Y541-P543 VanDerWaalsContact O-CD 3.26Å; Y541-P543 WeakPolarHBondContact O-CD 3.33Å; P543-S545 VanDerWaalsContact C-N 3.34Å
544N87.6Confident92.4Very high147 Ų14755.5 Ų55.579%0.78629%0.292SS*.THydrogen-bonded Turntrans-93.54.9179.2-59.5-39.7000112.8N542N542-N544 PolarHBondContact O-N 3.41Å; N542-N544 VanDerWaalsContact O-N 3.08Å; N542-N544 PolarHBondContact OD1-N 3.47Å
545S87.4Confident92.4Very high29 Ų2954.8 Ų54.820%0.20329%0.289CS..  trans-90.4143.7-178.9178.70000111.1R539 N542 P543 Y547R539-S545 WeakPolarHBondContact O-CB 3.05Å; R539-S545 PolarHBondContact O-OG 3.19Å; N542-S545 WeakPolarHBondContact O-CB 3.25Å; N542-S545 PolarHBondContact O-N 3.42Å; P543-S545 VanDerWaalsContact C-N 3.34Å; S545-Y547 PolarHBondContact O-N 2.91Å; S545-Y547 WeakPolarHBondContact OG-CB 3.43Å; S545-Y547 WeakPolarHBondContact OG-CD2 3.4Å; S545-Y547 PolarHBondContact OG-N 3.25Å; S545-Y547 VanDerWaalsContact OG-N 3.09Å
546N90.6Very high92.4Very high166 Ų16653.2 Ų53.289%0.88828%0.283SS*.SBendtrans-83.82.3170.4-65.9-30.4000112.6
547Y92.6Very high92.3Very high81 Ų8154.7 Ų54.732%0.31829%0.292SS..  trans-94136.1-179.3-56.8-69.1000110.9R539 S545 W551R539-Y547 HydrophobicContact CB-CD2 3.87Å; R539-Y547 HydrophobicContact CB-CG 4.29Å; R539-Y547 HydrophobicContact CG-CD2 3.94Å; R539-Y547 HydrophobicContact CG-CE2 4.35Å; S545-Y547 PolarHBondContact O-N 2.91Å; S545-Y547 WeakPolarHBondContact OG-CB 3.43Å; S545-Y547 WeakPolarHBondContact OG-CD2 3.4Å; S545-Y547 PolarHBondContact OG-N 3.25Å; S545-Y547 VanDerWaalsContact OG-N 3.09Å; Y547-W551 AromaticContact CD1-CD1 3.83Å; Y547-W551 AromaticContact CD1-CD2 3.5Å; Y547-W551 HydrophobicContact CD1-CD2 3.5Å; Y547-W551 AromaticContact CD1-CE2 3.51Å; Y547-W551 AromaticContact CD1-CE3 3.97Å; Y547-W551 HydrophobicContact CD1-CE3 3.97Å; Y547-W551 AromaticContact CD1-CG 3.74Å; Y547-W551 HydrophobicContact CD1-CG 3.74Å; Y547-W551 HydrophobicContact CD1-CH2 4.46Å; Y547-W551 HydrophobicContact CD1-CZ2 4.01Å; Y547-W551 HydrophobicContact CD1-CZ3 4.42Å; Y547-W551 AromaticContact CD1-NE1 3.67Å; Y547-W551 HydrophobicContact CE1-CD2 4.24Å; Y547-W551 AromaticContact CE1-CE2 3.77Å; Y547-W551 HydrophobicContact CE1-CG 4.5Å; Y547-W551 HydrophobicContact CE1-CZ2 4.07Å; Y547-W551 AromaticContact CE1-NE1 3.7Å; Y547-W551 HydrophobicContact CG-CD2 4.19Å; Y547-W551 HydrophobicContact CG-CE3 4.2Å; Y547-W551 HydrophobicContact CG-CZ3 4.48Å
548D91.2Very high92.3Very high91 Ų9158.5 Ų58.549%0.48731%0.308SS..  trans-132.3-174.3175.365.212.9000110.9I540 G550 W551 V552I540-D548 WeakPolarHBondContact CG2-O 3.37Å; D548-G550 PolarHBondContact O-N 2.97Å; D548-G550 VanDerWaalsContact OD1-CA 3.28Å; D548-G550 WeakPolarHBondContact OD1-CA 3.25Å; D548-G550 PolarHBondContact OD1-N 3.49Å; D548-W551 WeakPolarHBondContact O-CB 3.49Å; D548-W551 PolarHBondContact O-N 3.01Å; D548-W551 PolarHBondContact OD1-N 3.47Å; D548-V552 PolarHBondContact O-N 3.42Å
549L91.6Very high92.4Very high17 Ų1754.4 Ų54.49%0.08929%0.288CS..Hα-helixtrans-66.5-28176.4-171.263.9000112.4N383 C387 W551 V552 L553 D601N383-L549 HydrophobicContact CB-CD2 3.5Å; N383-L549 VanDerWaalsContact CB-CD2 3.5Å; C387-L549 HydrophobicContact CB-CD1 3.83Å; C387-L549 HydrophobicContact CB-CD2 4.27Å; L549-W551 VanDerWaalsContact C-N 3.35Å; L549-V552 HydrophobicContact CD1-CB 4.38Å; L549-V552 WeakPolarHBondContact O-CB 3.35Å; L549-V552 PolarHBondContact O-N 3.06Å; L549-L553 HydrophobicContact CG-CD1 4.23Å; L549-L553 HydrophobicContact CG-CG 4.32Å; L549-L553 WeakPolarHBondContact O-CG 3.27Å; L549-L553 PolarHBondContact O-N 3.05Å; L549-D601 WeakPolarHBondContact CD2-O 3.24Å
550G93.1Very high92.4Very high39 Ų3952.7 Ų52.740%0.40228%0.282SS..Hα-helixtrans-62-42.5175.300000111.8D548 V552 L553 H554D548-G550 PolarHBondContact O-N 2.97Å; D548-G550 VanDerWaalsContact OD1-CA 3.28Å; D548-G550 WeakPolarHBondContact OD1-CA 3.25Å; D548-G550 PolarHBondContact OD1-N 3.49Å; G550-V552 PolarHBondContact O-N 3.34Å; G550-L553 PolarHBondContact O-N 2.91Å; G550-H554 WeakPolarHBondContact O-CB 3.34Å; G550-H554 PolarHBondContact O-N 3.23Å
551W95.7Very high92.3Very high31 Ų3153 Ų5312%0.11728%0.283CS..Hα-helixtrans-56.3-47.7171.5167.177000112.1E422 E423 I536 I540 Y547 D548 L549 L553 H554 L555E422-W551 HydrophobicContact CB-CH2 4.44Å; E422-W551 HydrophobicContact CB-CZ2 4.04Å; E422-W551 HydrophobicContact CG-CH2 4.16Å; E422-W551 HydrophobicContact CG-CZ2 4.23Å; E423-W551 PolarHBondContact OE1-NE1 3.3Å; I536-W551 HydrophobicContact CG1-CH2 4.16Å; I536-W551 HydrophobicContact CG1-CZ3 4.32Å; I536-W551 HydrophobicContact CG2-CZ3 4.09Å; I540-W551 HydrophobicContact CG2-CE3 4.28Å; I540-W551 HydrophobicContact CG2-CZ3 4.44Å; Y547-W551 AromaticContact CD1-CD1 3.83Å; Y547-W551 AromaticContact CD1-CD2 3.5Å; Y547-W551 HydrophobicContact CD1-CD2 3.5Å; Y547-W551 AromaticContact CD1-CE2 3.51Å; Y547-W551 AromaticContact CD1-CE3 3.97Å; Y547-W551 HydrophobicContact CD1-CE3 3.97Å; Y547-W551 AromaticContact CD1-CG 3.74Å; Y547-W551 HydrophobicContact CD1-CG 3.74Å; Y547-W551 HydrophobicContact CD1-CH2 4.46Å; Y547-W551 HydrophobicContact CD1-CZ2 4.01Å; Y547-W551 HydrophobicContact CD1-CZ3 4.42Å; Y547-W551 AromaticContact CD1-NE1 3.67Å; Y547-W551 HydrophobicContact CE1-CD2 4.24Å; Y547-W551 AromaticContact CE1-CE2 3.77Å; Y547-W551 HydrophobicContact CE1-CG 4.5Å; Y547-W551 HydrophobicContact CE1-CZ2 4.07Å; Y547-W551 AromaticContact CE1-NE1 3.7Å; Y547-W551 HydrophobicContact CG-CD2 4.19Å; Y547-W551 HydrophobicContact CG-CE3 4.2Å; Y547-W551 HydrophobicContact CG-CZ3 4.48Å; D548-W551 WeakPolarHBondContact O-CB 3.49Å; D548-W551 PolarHBondContact O-N 3.01Å; D548-W551 PolarHBondContact OD1-N 3.47Å; L549-W551 VanDerWaalsContact C-N 3.35Å; W551-L553 PolarHBondContact O-N 3.47Å; W551-H554 WeakPolarHBondContact O-CB 3.42Å; W551-H554 PolarHBondContact O-N 3.46Å; W551-L555 HydrophobicContact CD2-CD1 4.25Å; W551-L555 HydrophobicContact CH2-CD1 4.22Å; W551-L555 HydrophobicContact CZ2-CD1 3.5Å; W551-L555 VanDerWaalsContact CZ2-CD1 3.5Å; W551-L555 WeakPolarHBondContact O-CG 3.33Å; W551-L555 PolarHBondContact O-N 2.92Å
552V95.9Very high92.2Very high0 Ų051.9 Ų51.90%028%0.279CS..Hα-helixtrans-60.9-48.1177.91770000111.4I391 L394 I536 I540 D548 L549 G550 H554 L555 Y556I391-V552 HydrophobicContact CG1-CG1 3.79Å; L394-V552 HydrophobicContact CD2-CG1 4.15Å; I536-V552 HydrophobicContact CG2-CG2 3.69Å; I540-V552 HydrophobicContact CG2-CG2 3.78Å; D548-V552 PolarHBondContact O-N 3.42Å; L549-V552 HydrophobicContact CD1-CB 4.38Å; L549-V552 WeakPolarHBondContact O-CB 3.35Å; L549-V552 PolarHBondContact O-N 3.06Å; G550-V552 PolarHBondContact O-N 3.34Å; V552-H554 VanDerWaalsContact C-N 3.26Å; V552-H554 PolarHBondContact O-N 3.37Å; V552-L555 PolarHBondContact O-N 3.1Å; V552-Y556 WeakPolarHBondContact O-CB 3.41Å; V552-Y556 PolarHBondContact O-N 3.4Å
553L94.9Very high91.8Very high14 Ų1451.7 Ų51.77%0.07328%0.281CS..Hα-helixtrans-65.6-31.8-178.5-67.2175.9000111.8L549 G550 W551 T557 L599 D600L549-L553 HydrophobicContact CG-CD1 4.23Å; L549-L553 HydrophobicContact CG-CG 4.32Å; L549-L553 WeakPolarHBondContact O-CG 3.27Å; L549-L553 PolarHBondContact O-N 3.05Å; G550-L553 PolarHBondContact O-N 2.91Å; W551-L553 PolarHBondContact O-N 3.47Å; L553-T557 WeakPolarHBondContact O-CB 3.39Å; L553-T557 WeakPolarHBondContact O-CG2 3.32Å; L553-T557 PolarHBondContact O-N 3.42Å; L553-T557 PolarHBondContact O-OG1 2.64Å; L553-L599 HydrophobicContact CD2-CD1 4.01Å; L553-D600 WeakPolarHBondContact CD1-O 3.45Å
554H95.3Very high91.7Very high103 Ų10348.8 Ų48.848%0.47726%0.259SS..Hα-helixtrans-64.5-47.8171.5178.667.8000111.8G550 W551 V552 Y556 T557 K558G550-H554 WeakPolarHBondContact O-CB 3.34Å; G550-H554 PolarHBondContact O-N 3.23Å; W551-H554 WeakPolarHBondContact O-CB 3.42Å; W551-H554 PolarHBondContact O-N 3.46Å; V552-H554 VanDerWaalsContact C-N 3.26Å; V552-H554 PolarHBondContact O-N 3.37Å; H554-Y556 VanDerWaalsContact C-N 3.34Å; H554-Y556 PolarHBondContact O-N 2.81Å; H554-T557 PolarHBondContact O-N 3.01Å; H554-T557 PolarHBondContact O-OG1 3.48Å; H554-T557 VanDerWaalsContact O-OG1 3.07Å; H554-K558 PolarHBondContact O-N 3.5Å
555L97.1Very high91.5Very high2 Ų243.6 Ų43.61%0.0123%0.23CC..Hα-helixtrans-63.4-39.8175.8-64.9-171.4000112.5L394 E422 E423 V426 W551 V552 K558 C559L394-L555 HydrophobicContact CD1-CB 4.24Å; L394-L555 HydrophobicContact CD2-CB 3.82Å; E422-L555 HydrophobicContact CB-CD1 3.74Å; E423-L555 HydrophobicContact CG-CD2 4.19Å; V426-L555 HydrophobicContact CB-CD2 4.32Å; V426-L555 HydrophobicContact CG1-CD2 4.19Å; V426-L555 HydrophobicContact CG2-CB 4.14Å; V426-L555 HydrophobicContact CG2-CD1 4.47Å; V426-L555 HydrophobicContact CG2-CD2 4.15Å; V426-L555 HydrophobicContact CG2-CG 4.48Å; W551-L555 HydrophobicContact CD2-CD1 4.25Å; W551-L555 HydrophobicContact CH2-CD1 4.22Å; W551-L555 HydrophobicContact CZ2-CD1 3.5Å; W551-L555 VanDerWaalsContact CZ2-CD1 3.5Å; W551-L555 WeakPolarHBondContact O-CG 3.33Å; W551-L555 PolarHBondContact O-N 2.92Å; V552-L555 PolarHBondContact O-N 3.1Å; L555-K558 PolarHBondContact O-N 2.92Å; L555-C559 PolarHBondContact O-N 2.88Å; L555-C559 PolarHBondContact O-SG 2.99Å
556Y96.7Very high91.3Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-60.6-47.8175.9179.4-83.1000111.8H390 A393 I437 V552 H554 K558 C559 W560 L599H390-Y556 HydrophobicContact CB-CD2 3.62Å; H390-Y556 HydrophobicContact CB-CE2 3.61Å; H390-Y556 HydrophobicContact CB-CG 4.27Å; H390-Y556 AromaticContact CD2-CE1 3.83Å; H390-Y556 AromaticContact CD2-CE2 3.86Å; H390-Y556 AromaticContact CD2-CZ 3.6Å; H390-Y556 WeakPolarHBondContact O-CD2 3.36Å; A393-Y556 HydrophobicContact CB-CE2 4.18Å; I437-Y556 HydrophobicContact CB-CE2 4.44Å; I437-Y556 HydrophobicContact CD1-CD2 3.59Å; I437-Y556 HydrophobicContact CD1-CE2 3.65Å; I437-Y556 HydrophobicContact CD1-CG 4.29Å; I437-Y556 HydrophobicContact CG2-CE1 4.46Å; I437-Y556 HydrophobicContact CG2-CE2 3.68Å; I437-Y556 VanDerWaalsContact CG2-OH 3.27Å; I437-Y556 WeakPolarHBondContact CG2-OH 3Å; V552-Y556 WeakPolarHBondContact O-CB 3.41Å; V552-Y556 PolarHBondContact O-N 3.4Å; H554-Y556 VanDerWaalsContact C-N 3.34Å; H554-Y556 PolarHBondContact O-N 2.81Å; Y556-K558 VanDerWaalsContact C-N 3.34Å; Y556-K558 PolarHBondContact O-N 2.95Å; Y556-C559 CarbonylContact O-C 3.54Å; Y556-C559 WeakPolarHBondContact O-CA 3.47Å; Y556-C559 PolarHBondContact O-N 2.98Å; Y556-W560 HydrophobicContact CE1-CE3 4.05Å; Y556-W560 PolarHBondContact O-N 3.13Å; Y556-L599 HydrophobicContact CD1-CD1 3.62Å; Y556-L599 HydrophobicContact CE1-CD1 3.67Å
557T94.8Very high90.7Very high32 Ų3241.5 Ų41.520%0.19621%0.21CC..Hα-helixtrans-72.3-24.7-179.6530000112.8L553 H554 C559 W560 L599L553-T557 WeakPolarHBondContact O-CB 3.39Å; L553-T557 WeakPolarHBondContact O-CG2 3.32Å; L553-T557 PolarHBondContact O-N 3.42Å; L553-T557 PolarHBondContact O-OG1 2.64Å; H554-T557 PolarHBondContact O-N 3.01Å; H554-T557 PolarHBondContact O-OG1 3.48Å; H554-T557 VanDerWaalsContact O-OG1 3.07Å; T557-C559 PolarHBondContact O-N 3.1Å; T557-W560 HydrophobicContact CG2-CD2 4.21Å; T557-W560 HydrophobicContact CG2-CE3 4.25Å; T557-W560 HydrophobicContact CG2-CH2 4.12Å; T557-W560 HydrophobicContact CG2-CZ2 4.04Å; T557-W560 HydrophobicContact CG2-CZ3 4.22Å; T557-W560 PolarHBondContact O-NE1 2.75Å; T557-W560 VanDerWaalsContact O-NE1 3.13Å; T557-L599 HydrophobicContact CG2-CD1 4.28Å; T557-L599 HydrophobicContact CG2-CG 4.19Å
558K94.7Very high89.8Confident90 Ų9043.5 Ų43.539%0.39122%0.222SC..Hα-helixtrans-64.5-27.3165-79.9-172165.5-164.80113.3V426 D427 H554 L555 Y556V426-K558 HydrophobicContact CG1-CB 3.58Å; V426-K558 HydrophobicContact CG1-CD 3.59Å; V426-K558 HydrophobicContact CG1-CG 4.27Å; D427-K558 VanDerWaalsContact CG-NZ 3.31Å; D427-K558 IonicContact OD1-NZ 3.96Å; D427-K558 PolarHBondContact OD1-NZ 2.84Å; D427-K558 IonicContact OD2-NZ 3.3Å; D427-K558 PolarHBondContact OD2-NZ 3Å; H554-K558 PolarHBondContact O-N 3.5Å; L555-K558 PolarHBondContact O-N 2.92Å; Y556-K558 VanDerWaalsContact C-N 3.34Å; Y556-K558 PolarHBondContact O-N 2.95Å
559C94.5Very high88.7Confident0 Ų039.3 Ų39.30%020%0.2CC..THydrogen-bonded Turntrans-100.910.1-176.3-67.20000114.2V397 L436 I437 L555 Y556 T557V397-C559 HydrophobicContact CG1-CB 4.33Å; L436-C559 CarbonylContact C-O 3.56Å; L436-C559 WeakPolarHBondContact CA-O 3.17Å; L436-C559 WeakPolarHBondContact CD2-O 3.35Å; I437-C559 HydrophobicContact CD1-CB 4.09Å; I437-C559 HydrophobicContact CG1-CB 4.36Å; I437-C559 PolarHBondContact N-O 3.44Å; L555-C559 PolarHBondContact O-N 2.88Å; L555-C559 PolarHBondContact O-SG 2.99Å; Y556-C559 CarbonylContact O-C 3.54Å; Y556-C559 WeakPolarHBondContact O-CA 3.47Å; Y556-C559 PolarHBondContact O-N 2.98Å; T557-C559 PolarHBondContact O-N 3.1Å
560W93.8Very high87.3Confident12 Ų1245.4 Ų45.45%0.04523%0.227CC..BIsolated β-bridgetrans-103.8170.8-176.378.4-9.4000113.7I437 Y556 T557 H562 T563 I596 L599 L605I437-W560 HydrophobicContact CB-CB 4.3Å; I437-W560 CarbonylContact O-C 3.48Å; I437-W560 WeakPolarHBondContact O-CA 3.04Å; I437-W560 WeakPolarHBondContact O-CB 3.49Å; Y556-W560 HydrophobicContact CE1-CE3 4.05Å; Y556-W560 PolarHBondContact O-N 3.13Å; T557-W560 HydrophobicContact CG2-CD2 4.21Å; T557-W560 HydrophobicContact CG2-CE3 4.25Å; T557-W560 HydrophobicContact CG2-CH2 4.12Å; T557-W560 HydrophobicContact CG2-CZ2 4.04Å; T557-W560 HydrophobicContact CG2-CZ3 4.22Å; T557-W560 PolarHBondContact O-NE1 2.75Å; T557-W560 VanDerWaalsContact O-NE1 3.13Å; W560-H562 HydrophobicContact CD2-CB 3.78Å; W560-H562 HydrophobicContact CE3-CB 3.91Å; W560-H562 AromaticContact CE3-CD2 3.88Å; W560-H562 HydrophobicContact CG-CB 4.28Å; W560-H562 HydrophobicContact CH2-CB 4.23Å; W560-H562 HydrophobicContact CZ2-CB 4.13Å; W560-H562 HydrophobicContact CZ3-CB 4.13Å; W560-T563 PolarHBondContact NE1-OG1 2.75Å; W560-I596 HydrophobicContact CH2-CG2 3.57Å; W560-I596 HydrophobicContact CZ2-CG2 3.91Å; W560-I596 HydrophobicContact CZ3-CG2 4.42Å; W560-L599 HydrophobicContact CH2-CD2 4.48Å; W560-L599 HydrophobicContact CH2-CG 4.44Å; W560-L599 HydrophobicContact CZ3-CD2 3.83Å; W560-L599 HydrophobicContact CZ3-CG 3.95Å; W560-L605 HydrophobicContact CH2-CD1 3.99Å; W560-L605 HydrophobicContact CZ3-CD1 3.8Å
561I89.6Confident85.6Confident15 Ų1548.1 Ų48.18%0.07723%0.232CC..SBendtrans-96.42.7178.267.1176.7000114.1L436 I437 K438 V446 I466 Q565L436-I561 HydrophobicContact CB-CG2 3.45Å; L436-I561 VanDerWaalsContact CB-CG2 3.45Å; L436-I561 HydrophobicContact CD1-CG2 3.82Å; L436-I561 HydrophobicContact CG-CG2 4.28Å; I437-I561 PolarHBondContact O-N 3.14Å; K438-I561 HydrophobicContact CB-CD1 3.87Å; K438-I561 HydrophobicContact CB-CG1 4.32Å; K438-I561 HydrophobicContact CD-CD1 4.33Å; K438-I561 HydrophobicContact CG-CD1 3.82Å; K438-I561 HydrophobicContact CG-CG1 4.4Å; V446-I561 HydrophobicContact CG2-CG2 4.06Å; I466-I561 HydrophobicContact CD1-CD1 3.98Å; I561-Q565 PolarHBondContact O-NE2 2.9Å
562H86.9Confident83.4Confident16 Ų1652.6 Ų52.67%0.07426%0.258CS..  trans-100.4-11.1-161.2-63.1-62.6000116.6K438 W439 W560 N564 Q565 I596K438-H562 WeakPolarHBondContact CA-NE2 3.33Å; W439-H562 PolarHBondContact N-CD2 3.37Å; W439-H562 PolarHBondContact N-NE2 3.48Å; W560-H562 HydrophobicContact CD2-CB 3.78Å; W560-H562 HydrophobicContact CE3-CB 3.91Å; W560-H562 AromaticContact CE3-CD2 3.88Å; W560-H562 HydrophobicContact CG-CB 4.28Å; W560-H562 HydrophobicContact CH2-CB 4.23Å; W560-H562 HydrophobicContact CZ2-CB 4.13Å; W560-H562 HydrophobicContact CZ3-CB 4.13Å; H562-N564 PolarHBondContact O-N 2.92Å; H562-Q565 PolarHBondContact ND1-OE1 3Å; H562-Q565 WeakPolarHBondContact O-CB 3.44Å; H562-Q565 WeakPolarHBondContact O-CG 3.46Å; H562-Q565 PolarHBondContact O-N 3.11Å; H562-Q565 VanDerWaalsContact O-N 3.13Å; H562-I596 HydrophobicContact CB-CD1 4Å; H562-I596 HydrophobicContact CB-CG2 4.14Å; H562-I596 WeakPolarHBondContact O-CB 3.39Å
563T81Confident80.7Confident75 Ų7558 Ų5846%0.4630%0.296SS..THydrogen-bonded Turntrans-53.7128.5-175.5-55.50000111.6L462 W560 Q565L462-T563 WeakPolarHBondContact CD2-O 3.41Å; W560-T563 PolarHBondContact NE1-OG1 2.75Å; T563-Q565 PolarHBondContact O-N 3.03Å; T563-Q565 VanDerWaalsContact O-N 3.16Å
564N81Confident78Confident64 Ų6463.2 Ų63.234%0.34233%0.328SS..THydrogen-bonded Turntrans64.35.7178-65.1-42.9000116.2L462 H562 K566 R595 I596L462-N564 HydrophobicContact CD1-CB 4.08Å; L462-N564 WeakPolarHBondContact CD1-O 3.48Å; H562-N564 PolarHBondContact O-N 2.92Å; N564-K566 PolarHBondContact O-N 3.01Å; N564-R595 WeakPolarHBondContact OD1-CD 3.49Å; N564-R595 PolarHBondContact OD1-NH1 3.38Å; N564-I596 PolarHBondContact N-O 2.97Å; N564-I596 VanDerWaalsContact N-O 3.11Å
565Q83.6Confident75.2Confident39 Ų3966 Ų6618%0.18235%0.345CS..  trans-60.5133.5175.4-74-177-17.500110.5L462 I561 H562 T563 R595 I596L462-Q565 HydrophobicContact CD2-CB 4.41Å; L462-Q565 HydrophobicContact CD2-CG 3.58Å; I561-Q565 PolarHBondContact O-NE2 2.9Å; H562-Q565 PolarHBondContact ND1-OE1 3Å; H562-Q565 WeakPolarHBondContact O-CB 3.44Å; H562-Q565 WeakPolarHBondContact O-CG 3.46Å; H562-Q565 PolarHBondContact O-N 3.11Å; H562-Q565 VanDerWaalsContact O-N 3.13Å; T563-Q565 PolarHBondContact O-N 3.03Å; T563-Q565 VanDerWaalsContact O-N 3.16Å; Q565-R595 WeakPolarHBondContact O-CA 3.48Å; Q565-I596 HydrophobicContact CB-CD1 4.07Å; Q565-I596 HydrophobicContact CB-CG1 4.5Å; Q565-I596 PolarHBondContact O-N 3.4Å
566K82.9Confident72.1Confident146 Ų14671.2 Ų71.264%0.63537%0.374SS*.EExtended strand (participates in β ladder)trans-85.8128.8174.9-64.7-174.4-178.41790109.5N564 T593 Y594 I610N564-K566 PolarHBondContact O-N 3.01Å; K566-T593 HydrophobicContact CB-CG2 3.92Å; K566-T593 HydrophobicContact CD-CG2 4.32Å; K566-T593 HydrophobicContact CG-CG2 4.41Å; K566-Y594 CarbonylContact C-O 3.48Å; K566-Y594 VanDerWaalsContact CA-O 3.26Å; K566-Y594 WeakPolarHBondContact CA-O 3.21Å; K566-I610 HydrophobicContact CD-CD1 3.92Å; K566-I610 HydrophobicContact CG-CD1 3.98Å
567V76.7Confident69.1Low4 Ų480.2 Ų80.22%0.02442%0.416CS..EExtended strand (participates in β ladder)trans-126.5148.2-179-520000110L569 T593 Y594 I596 V607 M628V567-L569 HydrophobicContact CG2-CD2 4.41Å; V567-T593 CarbonylContact O-C 3.59Å; V567-T593 WeakPolarHBondContact O-CA 2.9Å; V567-Y594 PolarHBondContact N-O 3.06Å; V567-Y594 PolarHBondContact O-N 3.44Å; V567-I596 HydrophobicContact CG1-CD1 3.87Å; V567-I596 HydrophobicContact CG1-CG1 3.93Å; V567-V607 HydrophobicContact CG2-CG1 4.23Å; V567-M628 HydrophobicContact CB-CB 4.49Å; V567-M628 HydrophobicContact CB-SD 4.31Å; V567-M628 HydrophobicContact CG1-CB 4.33Å; V567-M628 HydrophobicContact CG1-CG 3.92Å; V567-M628 HydrophobicContact CG1-SD 3.32Å; V567-M628 WeakPolarHBondContact CG1-SD 3.49Å
568Q75.6Confident66.3Low123 Ų12385.8 Ų85.858%0.57544%0.444SS*.EExtended strand (participates in β ladder)trans-107125.8174.5-72.4-177.6-14.300109.9N592Q568-N592 WeakPolarHBondContact CA-O 3.33Å
569L68.2Low63.4Low4 Ų488.6 Ų88.62%0.02146%0.464CS..  trans-101.2130.3178.2-58.3179.9000110.8V567 N592 Y594 V607 L618 L631 I633V567-L569 HydrophobicContact CG2-CD2 4.41Å; L569-N592 PolarHBondContact N-O 2.87Å; L569-N592 WeakPolarHBondContact O-CB 3.17Å; L569-N592 PolarHBondContact O-ND2 2.88Å; L569-Y594 HydrophobicContact CB-CD2 3.91Å; L569-Y594 HydrophobicContact CB-CE2 3.65Å; L569-Y594 HydrophobicContact CD1-CD1 4.16Å; L569-Y594 HydrophobicContact CD1-CD2 3.5Å; L569-Y594 VanDerWaalsContact CD1-CD2 3.5Å; L569-Y594 HydrophobicContact CD1-CE1 4.22Å; L569-Y594 HydrophobicContact CD1-CE2 3.56Å; L569-Y594 HydrophobicContact CD1-CG 3.81Å; L569-Y594 HydrophobicContact CG-CD2 3.48Å; L569-Y594 VanDerWaalsContact CG-CD2 3.48Å; L569-Y594 HydrophobicContact CG-CE2 3.71Å; L569-Y594 HydrophobicContact CG-CG 4.17Å; L569-V607 HydrophobicContact CD1-CG2 4.1Å; L569-L618 HydrophobicContact CD1-CD1 4.09Å; L569-L618 HydrophobicContact CD1-CD2 3.58Å; L569-L618 HydrophobicContact CD1-CG 4.47Å; L569-L618 HydrophobicContact CD2-CD1 3.74Å; L569-L618 HydrophobicContact CD2-CD2 4.15Å; L569-L631 HydrophobicContact CD2-CB 3.73Å; L569-L631 HydrophobicContact CD2-CD1 4.33Å; L569-I633 HydrophobicContact CD1-CD1 3.8Å; L569-I633 HydrophobicContact CD1-CG1 3.71Å
570H61.3Low60.2Low144 Ų14494.8 Ų94.867%0.66750%0.502SS*.  trans-100103.5172.1-70.455.6000107.9N572H570-N572 PolarHBondContact O-N 3.27Å
571I57Low57Low97 Ų97105.3 Ų105.350%0.49754%0.541SS..  trans-79.4111.5176.1-55.1173000107.2S573 I633I571-S573 PolarHBondContact O-N 3.16Å; I571-S573 VanDerWaalsContact O-N 3.13Å; I571-I633 HydrophobicContact CD1-CD1 3.76Å; I571-I633 HydrophobicContact CG1-CD1 3.86Å
572N49.9Very low54.2Low125 Ų125112.3 Ų112.367%0.66858%0.577SS**  trans-67.4110.2173.3-80.5-16.3000109.8H570 T574H570-N572 PolarHBondContact O-N 3.27Å; N572-T574 PolarHBondContact O-N 3.11Å
573S40.2Very low51.5Low113 Ų113118.8 Ų118.879%0.7961%0.611SS**  trans-70.79.1-179-48.50000115.2I571 L575I571-S573 PolarHBondContact O-N 3.16Å; I571-S573 VanDerWaalsContact O-N 3.13Å; S573-L575 PolarHBondContact O-N 3.13Å
574T37.7Very low49Very low124 Ų124122.2 Ų122.276%0.76163%0.626SS**THydrogen-bonded Turntrans-92.916.8-16842.40000116N572N572-T574 PolarHBondContact O-N 3.11Å
575L37.1Very low46.5Very low160 Ų160127.8 Ų127.884%0.83865%0.65SS**THydrogen-bonded Turntrans-117.411.1179.6-77.3166.8000115.8S573S573-L575 PolarHBondContact O-N 3.13Å
576N30.5Very low44Very low113 Ų113134.2 Ų134.260%0.60468%0.68SS**  trans-123.279.2178.1-69-31.6000112.4
577E34Very low41.5Very low189 Ų189134.6 Ų134.688%0.88368%0.684SS**SBendtrans-83.4-4167.2-81.1-169.5160.200114.1
578N35.9Very low39.5Very low148 Ų148140.6 Ų140.679%0.79172%0.723SS**SBendtrans-118.69.5-170.3-74.4-19.9000117.5
579N33.4Very low37.6Very low150 Ų150140 Ų14080%0.80273%0.728SS**  trans-127.669.6172.5-84.8-12.2000111.8R581N579-R581 PolarHBondContact O-N 3.37Å
580T27.3Very low36.5Very low130 Ų130146.3 Ų146.380%0.79876%0.762SS**  trans-73.197.2158.9280000108.6
581R28.2Very low36.1Very low233 Ų233143.3 Ų143.388%0.87975%0.754SS**SBendtrans172.6123.5147-92.1150.6-161-147.25.6110N579N579-R581 PolarHBondContact O-N 3.37Å
582I30.4Very low36.7Very low162 Ų162142.5 Ų142.583%0.83175%0.75SS**  trans84.777.4168.3-42.5162.2000115.5
583I30.5Very low38.1Very low152 Ų152137.7 Ų137.778%0.77973%0.725SS**  trans-148.884.8136.4-51.8-176.4000107
584D27.7Very low40.2Very low146 Ų146132.7 Ų132.778%0.78169%0.689SS**  trans-81.4132.4163.3-86.7-40.7000108.5
585Q29.3Very low42.7Very low182 Ų182131.2 Ų131.285%0.8567%0.67SS**  trans62.481.6158.4-55.117818.400117.6
586Q29.6Very low45.1Very low173 Ų173123.7 Ų123.781%0.80863%0.63SS**  trans-124.1131152.6-83.8179.9-2000110.3
587H30.7Very low47.9Very low155 Ų155120.8 Ų120.872%0.71862%0.616SS**  trans-65.1155.2-172.2-82.9-82.7000113.6T589H587-T589 PolarHBondContact O-N 3.37Å
588P34.2Very low50.6Low130 Ų130112.3 Ų112.384%0.84458%0.58SS**THydrogen-bonded Turntrans-71.622-178.1-13.529.5000116.2
589T36.9Very low53.3Low109 Ų109106.2 Ų106.267%0.66955%0.547SS*.THydrogen-bonded Turntrans-130.82.1-164.250.90000116.7H587H587-T589 PolarHBondContact O-N 3.37Å
590D44.4Very low56Low137 Ų13799.6 Ų99.673%0.73351%0.512SS*.  trans-96.7125.7-178.6-81.1-32.4000113.4N592D590-N592 PolarHBondContact O-N 3.45Å
591T52.6Low58.8Low82 Ų8298.5 Ų98.550%0.50350%0.501SS..  trans-79111.9-163.351.70000112.7T593T591-T593 PolarHBondContact O-N 3.41Å
592N69.7Low61.6Low79 Ų7991.8 Ų91.842%0.42248%0.476SS..  trans-68.256.1167.8-77.8-4.5000112.2Q568 L569 D590 Y594Q568-N592 WeakPolarHBondContact CA-O 3.33Å; L569-N592 PolarHBondContact N-O 2.87Å; L569-N592 WeakPolarHBondContact O-CB 3.17Å; L569-N592 PolarHBondContact O-ND2 2.88Å; D590-N592 PolarHBondContact O-N 3.45Å; N592-Y594 HydrophobicContact CB-CE2 4.13Å; N592-Y594 WeakPolarHBondContact O-CD2 3.41Å
593T80Confident64.3Low24 Ų2484.1 Ų84.115%0.14744%0.438CS..EExtended strand (participates in β ladder)trans-99.9123.5179.4-48.90000109.4K566 V567 T591 I610K566-T593 HydrophobicContact CB-CG2 3.92Å; K566-T593 HydrophobicContact CD-CG2 4.32Å; K566-T593 HydrophobicContact CG-CG2 4.41Å; V567-T593 CarbonylContact O-C 3.59Å; V567-T593 WeakPolarHBondContact O-CA 2.9Å; T591-T593 PolarHBondContact O-N 3.41Å; T593-I610 HydrophobicContact CG2-CD1 3.6Å; T593-I610 WeakPolarHBondContact O-CG1 3.47Å; T593-I610 PolarHBondContact O-N 3.22Å
594Y84.7Confident67Low8 Ų880 Ų803%0.03141%0.413CS..EExtended strand (participates in β ladder)trans-114.5157.1179.1-60.3-99.7000109.7K566 V567 L569 N592 V607 E608 D609 H616K566-Y594 CarbonylContact C-O 3.48Å; K566-Y594 VanDerWaalsContact CA-O 3.26Å; K566-Y594 WeakPolarHBondContact CA-O 3.21Å; V567-Y594 PolarHBondContact N-O 3.06Å; V567-Y594 PolarHBondContact O-N 3.44Å; L569-Y594 HydrophobicContact CB-CD2 3.91Å; L569-Y594 HydrophobicContact CB-CE2 3.65Å; L569-Y594 HydrophobicContact CD1-CD1 4.16Å; L569-Y594 HydrophobicContact CD1-CD2 3.5Å; L569-Y594 VanDerWaalsContact CD1-CD2 3.5Å; L569-Y594 HydrophobicContact CD1-CE1 4.22Å; L569-Y594 HydrophobicContact CD1-CE2 3.56Å; L569-Y594 HydrophobicContact CD1-CG 3.81Å; L569-Y594 HydrophobicContact CG-CD2 3.48Å; L569-Y594 VanDerWaalsContact CG-CD2 3.48Å; L569-Y594 HydrophobicContact CG-CE2 3.71Å; L569-Y594 HydrophobicContact CG-CG 4.17Å; N592-Y594 HydrophobicContact CB-CE2 4.13Å; N592-Y594 WeakPolarHBondContact O-CD2 3.41Å; Y594-V607 HydrophobicContact CD1-CG2 3.8Å; Y594-V607 HydrophobicContact CG-CG2 4.04Å; Y594-E608 CarbonylContact C-O 3.57Å; Y594-E608 WeakPolarHBondContact CA-O 3.44Å; Y594-D609 HydrophobicContact CD1-CB 3.89Å; Y594-D609 HydrophobicContact CE1-CB 3.72Å; Y594-H616 AromaticContact CD1-CD2 4Å; Y594-H616 AromaticContact CE1-CD2 3.43Å; Y594-H616 VanDerWaalsContact CE1-CD2 3.43Å; Y594-H616 WeakPolarHBondContact CE1-CD2 3.5Å; Y594-H616 AromaticContact CE1-NE2 3.8Å
595R89.2Confident69.8Low94 Ų9473.3 Ų73.336%0.35538%0.377SS..EExtended strand (participates in β ladder)trans-110.8130.2174.6179.1174.564.3155.4-8.5109.6N564 Q565 V597 V607 E608 I610N564-R595 WeakPolarHBondContact OD1-CD 3.49Å; N564-R595 PolarHBondContact OD1-NH1 3.38Å; Q565-R595 WeakPolarHBondContact O-CA 3.48Å; R595-V597 HydrophobicContact CG-CG1 4.49Å; R595-V597 PolarHBondContact O-N 3.11Å; R595-V607 CarbonylContact O-C 3.5Å; R595-V607 WeakPolarHBondContact O-CA 3.21Å; R595-E608 IonicContact CZ-OE1 2.84Å; R595-E608 PolarHBondContact N-O 2.94Å; R595-E608 IonicContact NE-OE1 2.73Å; R595-E608 IonicContact NH2-OE1 3.12Å; R595-E608 PolarHBondContact NH2-OE1 3.42Å; R595-E608 PolarHBondContact O-N 3.06Å; R595-I610 HydrophobicContact CB-CG1 4.2Å
596I88.1Confident72.7Confident1 Ų166.2 Ų66.21%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-68.3124171.7-60.7177.7000109.3W560 H562 N564 Q565 V567 L605 V607W560-I596 HydrophobicContact CH2-CG2 3.57Å; W560-I596 HydrophobicContact CZ2-CG2 3.91Å; W560-I596 HydrophobicContact CZ3-CG2 4.42Å; H562-I596 HydrophobicContact CB-CD1 4Å; H562-I596 HydrophobicContact CB-CG2 4.14Å; H562-I596 WeakPolarHBondContact O-CB 3.39Å; N564-I596 PolarHBondContact N-O 2.97Å; N564-I596 VanDerWaalsContact N-O 3.11Å; Q565-I596 HydrophobicContact CB-CD1 4.07Å; Q565-I596 HydrophobicContact CB-CG1 4.5Å; Q565-I596 PolarHBondContact O-N 3.4Å; V567-I596 HydrophobicContact CG1-CD1 3.87Å; V567-I596 HydrophobicContact CG1-CG1 3.93Å; I596-L605 HydrophobicContact CD1-CD1 4.39Å; I596-L605 HydrophobicContact CD1-CD2 3.93Å; I596-L605 HydrophobicContact CG1-CD2 4.17Å; I596-L605 HydrophobicContact CG2-CD1 3.64Å; I596-L605 HydrophobicContact CG2-CG 4.28Å; I596-V607 HydrophobicContact CG1-CG1 4.12Å
597V89.6Confident75.5Confident52 Ų5258 Ų5832%0.31531%0.306SS..EExtended strand (participates in β ladder)trans-115.8-15-176.5-65.30000114.1R595 L606 E608R595-V597 HydrophobicContact CG-CG1 4.49Å; R595-V597 PolarHBondContact O-N 3.11Å; V597-L606 HydrophobicContact CG2-CB 3.78Å; V597-L606 WeakPolarHBondContact CG2-O 3.32Å; V597-L606 PolarHBondContact N-O 3.36Å; V597-E608 HydrophobicContact CG1-CB 3.62Å; V597-E608 HydrophobicContact CG2-CB 4.4Å
598G91.4Very high78.3Confident11 Ų1152.1 Ų52.111%0.11328%0.279CS..EExtended strand (participates in β ladder)trans158-152.9179.100000113.2L606G598-L606 PolarHBondContact O-N 2.67Å
599L91.7Very high80.8Confident21 Ų2147 Ų4711%0.1124%0.244CC..EExtended strand (participates in β ladder)trans-124.2151.3174.8-61.9177.7000110L553 Y556 T557 W560 Y604 L605 L606L553-L599 HydrophobicContact CD2-CD1 4.01Å; Y556-L599 HydrophobicContact CD1-CD1 3.62Å; Y556-L599 HydrophobicContact CE1-CD1 3.67Å; T557-L599 HydrophobicContact CG2-CD1 4.28Å; T557-L599 HydrophobicContact CG2-CG 4.19Å; W560-L599 HydrophobicContact CH2-CD2 4.48Å; W560-L599 HydrophobicContact CH2-CG 4.44Å; W560-L599 HydrophobicContact CZ3-CD2 3.83Å; W560-L599 HydrophobicContact CZ3-CG 3.95Å; L599-Y604 CarbonylContact C-O 3.53Å; L599-Y604 WeakPolarHBondContact CA-O 3.35Å; L599-Y604 WeakPolarHBondContact CD2-O 3.28Å; L599-L605 HydrophobicContact CD2-CD1 4.1Å; L599-L606 VanDerWaalsContact C-CD1 3.46Å; L599-L606 WeakPolarHBondContact O-CD1 3.47Å
600D89.5Confident83.1Confident10 Ų1045.7 Ų45.75%0.05323%0.233CC..  trans-84.8177.5167.883.9-13.5000111.7L553 Y602 G603 Y604 L606 K617L553-D600 WeakPolarHBondContact CD1-O 3.45Å; D600-Y602 PolarHBondContact O-N 2.83Å; D600-Y602 WeakPolarHBondContact OD1-CA 3.4Å; D600-Y602 WeakPolarHBondContact OD1-CB 3.44Å; D600-Y602 PolarHBondContact OD1-N 3.41Å; D600-G603 PolarHBondContact O-N 3.37Å; D600-G603 PolarHBondContact OD1-N 3.02Å; D600-G603 VanDerWaalsContact OD1-N 3.14Å; D600-Y604 PolarHBondContact N-O 2.81Å; D600-Y604 WeakPolarHBondContact OD1-CB 3.11Å; D600-Y604 PolarHBondContact OD1-N 3.26Å; D600-L606 HydrophobicContact CB-CD1 4.12Å; D600-L606 HydrophobicContact CB-CD2 4.03Å; D600-L606 HydrophobicContact CB-CG 4.04Å; D600-K617 WeakPolarHBondContact OD2-CD 3.25Å; D600-K617 WeakPolarHBondContact OD2-CE 3.42Å; D600-K617 IonicContact OD2-NZ 3.13Å; D600-K617 PolarHBondContact OD2-NZ 3.41Å
601D87.5Confident85Confident107 Ų10743.7 Ų43.757%0.57223%0.229SC*.THydrogen-bonded Turntrans-63.5-12.9-177.2-57.1-25000114.1N383 L549N383-D601 WeakPolarHBondContact CB-O 3.4Å; L549-D601 WeakPolarHBondContact CD2-O 3.24Å
602Y86.3Confident86.7Confident92 Ų9244 Ų4436%0.36123%0.23SC..THydrogen-bonded Turntrans-99.7-1.4175.8-60.9-84.2000112.5N383 T386 D600 Y604N383-Y602 WeakPolarHBondContact OD1-CE1 3.42Å; T386-Y602 WeakPolarHBondContact CB-O 3.33Å; T386-Y602 HydrophobicContact CG2-CD1 4.43Å; T386-Y602 WeakPolarHBondContact OG1-CA 3.48Å; T386-Y602 PolarHBondContact OG1-O 3.05Å; T386-Y602 VanDerWaalsContact OG1-O 3.11Å; D600-Y602 PolarHBondContact O-N 2.83Å; D600-Y602 WeakPolarHBondContact OD1-CA 3.4Å; D600-Y602 WeakPolarHBondContact OD1-CB 3.44Å; D600-Y602 PolarHBondContact OD1-N 3.41Å; Y602-Y604 HydrophobicContact CG-CD2 4.49Å; Y602-Y604 HydrophobicContact CG-CE2 4.3Å
603G87.2Confident87.5Confident2 Ų242.2 Ų42.22%0.02123%0.23CC..SBendtrans82.513-179.600000114C387 H390 W439 D600C387-G603 PolarHBondContact SG-N 3.37Å; C387-G603 VanDerWaalsContact SG-N 3.4Å; H390-G603 PolarHBondContact CE1-O 2.98Å; H390-G603 PolarHBondContact NE2-O 3.33Å; W439-G603 PolarHBondContact NE1-O 2.95Å; D600-G603 PolarHBondContact O-N 3.37Å; D600-G603 PolarHBondContact OD1-N 3.02Å; D600-G603 VanDerWaalsContact OD1-N 3.14Å
604Y86.7Confident87.8Confident64 Ų6444.3 Ų44.325%0.25124%0.243SC..PPolyproline II helixtrans-75.6149.6172.2-64.4-58.5000111L599 D600 Y602 L606 H619L599-Y604 CarbonylContact C-O 3.53Å; L599-Y604 WeakPolarHBondContact CA-O 3.35Å; L599-Y604 WeakPolarHBondContact CD2-O 3.28Å; D600-Y604 PolarHBondContact N-O 2.81Å; D600-Y604 WeakPolarHBondContact OD1-CB 3.11Å; D600-Y604 PolarHBondContact OD1-N 3.26Å; Y602-Y604 HydrophobicContact CG-CD2 4.49Å; Y602-Y604 HydrophobicContact CG-CE2 4.3Å; Y604-L606 PolarHBondContact O-N 2.94Å; Y604-H619 AromaticContact CD1-ND1 3.85Å; Y604-H619 AromaticContact CE1-CE1 3.52Å; Y604-H619 AromaticContact CE1-CG 3.91Å; Y604-H619 AromaticContact CE1-ND1 3.25Å; Y604-H619 WeakPolarHBondContact CE1-ND1 3.42Å; Y604-H619 AromaticContact CE2-CE1 3.55Å; Y604-H619 AromaticContact CZ-CE1 3.23Å; Y604-H619 AromaticContact CZ-ND1 3.43Å; Y604-H619 PolarHBondContact OH-CE1 3.5Å
605L87.5Confident87.9Confident7 Ų751.9 Ų51.94%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-73.4123.5-176.4-16970.1000110.1W439 W560 I596 L599 V607 L618 L631W439-L605 HydrophobicContact CZ2-CB 4.4Å; W560-L605 HydrophobicContact CH2-CD1 3.99Å; W560-L605 HydrophobicContact CZ3-CD1 3.8Å; I596-L605 HydrophobicContact CD1-CD1 4.39Å; I596-L605 HydrophobicContact CD1-CD2 3.93Å; I596-L605 HydrophobicContact CG1-CD2 4.17Å; I596-L605 HydrophobicContact CG2-CD1 3.64Å; I596-L605 HydrophobicContact CG2-CG 4.28Å; L599-L605 HydrophobicContact CD2-CD1 4.1Å; L605-V607 HydrophobicContact CD2-CG1 4.44Å; L605-V607 HydrophobicContact CG-CG1 4.4Å; L605-L618 HydrophobicContact CB-CB 4.25Å; L605-L618 HydrophobicContact CD2-CD1 4.36Å; L605-L618 PolarHBondContact N-O 3.22Å; L605-L618 PolarHBondContact O-N 3.12Å; L605-L631 HydrophobicContact CD2-CD1 4.33Å
606L89.4Confident87.7Confident32 Ų3249.5 Ų49.517%0.16827%0.265CS..EExtended strand (participates in β ladder)trans-92.3128.9173.2-70.9175.5000110V597 G598 L599 D600 Y604 H616 K617V597-L606 HydrophobicContact CG2-CB 3.78Å; V597-L606 WeakPolarHBondContact CG2-O 3.32Å; V597-L606 PolarHBondContact N-O 3.36Å; G598-L606 PolarHBondContact O-N 2.67Å; L599-L606 VanDerWaalsContact C-CD1 3.46Å; L599-L606 WeakPolarHBondContact O-CD1 3.47Å; D600-L606 HydrophobicContact CB-CD1 4.12Å; D600-L606 HydrophobicContact CB-CD2 4.03Å; D600-L606 HydrophobicContact CB-CG 4.04Å; Y604-L606 PolarHBondContact O-N 2.94Å; L606-H616 WeakPolarHBondContact CA-O 3.15Å; L606-K617 HydrophobicContact CD2-CG 3.67Å
607V88Confident87.5Confident0 Ų053.8 Ų53.80%028%0.283CS..EExtended strand (participates in β ladder)trans-125.3151173.9-56.40000111.1V567 L569 Y594 R595 I596 L605 R615 H616 L618V567-V607 HydrophobicContact CG2-CG1 4.23Å; L569-V607 HydrophobicContact CD1-CG2 4.1Å; Y594-V607 HydrophobicContact CD1-CG2 3.8Å; Y594-V607 HydrophobicContact CG-CG2 4.04Å; R595-V607 CarbonylContact O-C 3.5Å; R595-V607 WeakPolarHBondContact O-CA 3.21Å; I596-V607 HydrophobicContact CG1-CG1 4.12Å; L605-V607 HydrophobicContact CD2-CG1 4.44Å; L605-V607 HydrophobicContact CG-CG1 4.4Å; V607-R615 CarbonylContact O-C 3.6Å; V607-R615 VanDerWaalsContact O-CA 3.26Å; V607-R615 WeakPolarHBondContact O-CA 3.33Å; V607-H616 HydrophobicContact CG2-CB 3.93Å; V607-H616 PolarHBondContact N-O 2.82Å; V607-H616 PolarHBondContact O-N 2.79Å; V607-L618 HydrophobicContact CB-CD1 4.23Å; V607-L618 HydrophobicContact CG1-CD1 3.37Å; V607-L618 HydrophobicContact CG1-CG 4.08Å; V607-L618 HydrophobicContact CG2-CD1 3.79Å; V607-L618 HydrophobicContact CG2-CD2 4.17Å; V607-L618 HydrophobicContact CG2-CG 3.93Å
608E89Confident86.7Confident32 Ų3251.3 Ų51.315%0.1527%0.268CS..EExtended strand (participates in β ladder)trans-120124.8179-170.9174.376.900108.9Y594 R595 V597 I610 G613 T614 R615Y594-E608 CarbonylContact C-O 3.57Å; Y594-E608 WeakPolarHBondContact CA-O 3.44Å; R595-E608 IonicContact CZ-OE1 2.84Å; R595-E608 PolarHBondContact N-O 2.94Å; R595-E608 IonicContact NE-OE1 2.73Å; R595-E608 IonicContact NH2-OE1 3.12Å; R595-E608 PolarHBondContact NH2-OE1 3.42Å; R595-E608 PolarHBondContact O-N 3.06Å; V597-E608 HydrophobicContact CG1-CB 3.62Å; V597-E608 HydrophobicContact CG2-CB 4.4Å; E608-I610 PolarHBondContact O-N 3.38Å; E608-G613 WeakPolarHBondContact CG-O 3.24Å; E608-T614 CarbonylContact C-O 3.52Å; E608-T614 WeakPolarHBondContact CA-O 3.4Å; E608-R615 HydrophobicContact CB-CG 4.28Å; E608-R615 HydrophobicContact CG-CG 4.16Å; E608-R615 IonicContact OE2-CZ 3.56Å; E608-R615 IonicContact OE2-NE 3.64Å; E608-R615 PolarHBondContact OE2-NE 2.78Å; E608-R615 VanDerWaalsContact OE2-NE 3.12Å; E608-R615 IonicContact OE2-NH2 3.06Å; E608-R615 PolarHBondContact OE2-NH2 2.79Å
609D87.3Confident85.6Confident22 Ų2253.6 Ų53.612%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-60.4125.7173.4-178.5-39000109.1Y594 C611 T612 G613 T614Y594-D609 HydrophobicContact CD1-CB 3.89Å; Y594-D609 HydrophobicContact CE1-CB 3.72Å; D609-C611 VanDerWaalsContact C-N 3.27Å; D609-C611 PolarHBondContact O-N 2.72Å; D609-C611 WeakPolarHBondContact OD1-CA 3.32Å; D609-C611 WeakPolarHBondContact OD1-CB 3.47Å; D609-C611 PolarHBondContact OD1-N 3.41Å; D609-T612 WeakPolarHBondContact CB-OG1 3.26Å; D609-T612 PolarHBondContact OD1-N 3.45Å; D609-T612 PolarHBondContact OD2-OG1 2.69Å; D609-T612 VanDerWaalsContact OD2-OG1 3.05Å; D609-G613 VanDerWaalsContact O-CA 3.23Å; D609-G613 WeakPolarHBondContact O-CA 3.5Å; D609-G613 PolarHBondContact O-N 3.45Å; D609-T614 PolarHBondContact N-O 2.84Å
610I86.2Confident84.1Confident83 Ų8355 Ų5543%0.42629%0.286SS..THydrogen-bonded Turntrans-68.2-30.2-175.5-64176.1000111.6K566 T593 R595 E608K566-I610 HydrophobicContact CD-CD1 3.92Å; K566-I610 HydrophobicContact CG-CD1 3.98Å; T593-I610 HydrophobicContact CG2-CD1 3.6Å; T593-I610 WeakPolarHBondContact O-CG1 3.47Å; T593-I610 PolarHBondContact O-N 3.22Å; R595-I610 HydrophobicContact CB-CG1 4.2Å; E608-I610 PolarHBondContact O-N 3.38Å
611C83.9Confident82.3Confident95 Ų9557.4 Ų57.464%0.64230%0.299SS*.THydrogen-bonded Turntrans-85-43.5-178.1-630000111.6D609D609-C611 VanDerWaalsContact C-N 3.27Å; D609-C611 PolarHBondContact O-N 2.72Å; D609-C611 WeakPolarHBondContact OD1-CA 3.32Å; D609-C611 WeakPolarHBondContact OD1-CB 3.47Å; D609-C611 PolarHBondContact OD1-N 3.41Å
612T87Confident80.3Confident88 Ų8854.7 Ų54.754%0.5430%0.296SS..THydrogen-bonded Turntrans-99.1-17.9-17369.70000113.9D609 T614D609-T612 WeakPolarHBondContact CB-OG1 3.26Å; D609-T612 PolarHBondContact OD1-N 3.45Å; D609-T612 PolarHBondContact OD2-OG1 2.69Å; D609-T612 VanDerWaalsContact OD2-OG1 3.05Å; T612-T614 WeakPolarHBondContact CB-OG1 3.26Å; T612-T614 PolarHBondContact O-N 2.79Å; T612-T614 VanDerWaalsContact OG1-CB 3.26Å; T612-T614 WeakPolarHBondContact OG1-CB 3.44Å; T612-T614 PolarHBondContact OG1-N 2.8Å; T612-T614 PolarHBondContact OG1-OG1 3.35Å
613G86.4Confident78Confident41 Ų4152.8 Ų52.842%0.42329%0.293SS..  trans69.45.5-169.700000113.6E608 D609E608-G613 WeakPolarHBondContact CG-O 3.24Å; D609-G613 VanDerWaalsContact O-CA 3.23Å; D609-G613 WeakPolarHBondContact O-CA 3.5Å; D609-G613 PolarHBondContact O-N 3.45Å
614T87.3Confident75.8Confident69 Ų6956.6 Ų56.642%0.42332%0.319SS..  trans-72.8133.8-178.3-52.90000110.1E608 D609 T612 H616E608-T614 CarbonylContact C-O 3.52Å; E608-T614 WeakPolarHBondContact CA-O 3.4Å; D609-T614 PolarHBondContact N-O 2.84Å; T612-T614 WeakPolarHBondContact CB-OG1 3.26Å; T612-T614 PolarHBondContact O-N 2.79Å; T612-T614 VanDerWaalsContact OG1-CB 3.26Å; T612-T614 WeakPolarHBondContact OG1-CB 3.44Å; T612-T614 PolarHBondContact OG1-N 2.8Å; T612-T614 PolarHBondContact OG1-OG1 3.35Å; T614-H616 PolarHBondContact O-CD2 3.39Å
615R87.5Confident73.4Confident166 Ų16662.2 Ų62.263%0.62635%0.349SS*.EExtended strand (participates in β ladder)trans-93.5137.9179.1-66.5-177.6179.9178.90.3111.8V607 E608V607-R615 CarbonylContact O-C 3.6Å; V607-R615 VanDerWaalsContact O-CA 3.26Å; V607-R615 WeakPolarHBondContact O-CA 3.33Å; E608-R615 HydrophobicContact CB-CG 4.28Å; E608-R615 HydrophobicContact CG-CG 4.16Å; E608-R615 IonicContact OE2-CZ 3.56Å; E608-R615 IonicContact OE2-NE 3.64Å; E608-R615 PolarHBondContact OE2-NE 2.78Å; E608-R615 VanDerWaalsContact OE2-NE 3.12Å; E608-R615 IonicContact OE2-NH2 3.06Å; E608-R615 PolarHBondContact OE2-NH2 2.79Å
616H83.6Confident71.1Confident44 Ų4464.9 Ų64.920%0.20436%0.364CS..EExtended strand (participates in β ladder)trans-128.8149.8179-59.9-89.8000110.8Y594 L606 V607 T614 I633Y594-H616 AromaticContact CD1-CD2 4Å; Y594-H616 AromaticContact CE1-CD2 3.43Å; Y594-H616 VanDerWaalsContact CE1-CD2 3.43Å; Y594-H616 WeakPolarHBondContact CE1-CD2 3.5Å; Y594-H616 AromaticContact CE1-NE2 3.8Å; L606-H616 WeakPolarHBondContact CA-O 3.15Å; V607-H616 HydrophobicContact CG2-CB 3.93Å; V607-H616 PolarHBondContact N-O 2.82Å; V607-H616 PolarHBondContact O-N 2.79Å; T614-H616 PolarHBondContact O-CD2 3.39Å; H616-I633 HydrophobicContact CB-CG2 4.27Å
617K83.7Confident69Low91 Ų9164.6 Ų64.640%0.39636%0.362SS..EExtended strand (participates in β ladder)trans-102128.3175.4-63.7176.9175.9-144.80109.7D600 L606 T634D600-K617 WeakPolarHBondContact OD2-CD 3.25Å; D600-K617 WeakPolarHBondContact OD2-CE 3.42Å; D600-K617 IonicContact OD2-NZ 3.13Å; D600-K617 PolarHBondContact OD2-NZ 3.41Å; L606-K617 HydrophobicContact CD2-CG 3.67Å; K617-T634 PolarHBondContact O-OG1 2.9Å
618L74Confident66.8Low0 Ų068 Ų680%038%0.379CS..EExtended strand (participates in β ladder)trans-111.1129.2-179.9-51.4-178000110.8L569 L605 V607 L631 I633L569-L618 HydrophobicContact CD1-CD1 4.09Å; L569-L618 HydrophobicContact CD1-CD2 3.58Å; L569-L618 HydrophobicContact CD1-CG 4.47Å; L569-L618 HydrophobicContact CD2-CD1 3.74Å; L569-L618 HydrophobicContact CD2-CD2 4.15Å; L605-L618 HydrophobicContact CB-CB 4.25Å; L605-L618 HydrophobicContact CD2-CD1 4.36Å; L605-L618 PolarHBondContact N-O 3.22Å; L605-L618 PolarHBondContact O-N 3.12Å; V607-L618 HydrophobicContact CB-CD1 4.23Å; V607-L618 HydrophobicContact CG1-CD1 3.37Å; V607-L618 HydrophobicContact CG1-CG 4.08Å; V607-L618 HydrophobicContact CG2-CD1 3.79Å; V607-L618 HydrophobicContact CG2-CD2 4.17Å; V607-L618 HydrophobicContact CG2-CG 3.93Å; L618-L631 HydrophobicContact CB-CB 4.34Å; L618-L631 HydrophobicContact CB-CD1 4.45Å; L618-L631 HydrophobicContact CB-CD2 4.45Å; L618-L631 HydrophobicContact CD1-CB 4.05Å; L618-L631 HydrophobicContact CD1-CD1 3.55Å; L618-L631 HydrophobicContact CD1-CG 4.36Å; L618-I633 HydrophobicContact CD2-CG1 3.96Å
619H67.2Low64.2Low59 Ų5975.4 Ų75.427%0.27341%0.405SS..EExtended strand (participates in β ladder)trans-89.7146.9174.4-77.1-108.7000111Y604 D621 L631 T634Y604-H619 AromaticContact CD1-ND1 3.85Å; Y604-H619 AromaticContact CE1-CE1 3.52Å; Y604-H619 AromaticContact CE1-CG 3.91Å; Y604-H619 AromaticContact CE1-ND1 3.25Å; Y604-H619 WeakPolarHBondContact CE1-ND1 3.42Å; Y604-H619 AromaticContact CE2-CE1 3.55Å; Y604-H619 AromaticContact CZ-CE1 3.23Å; Y604-H619 AromaticContact CZ-ND1 3.43Å; Y604-H619 PolarHBondContact OH-CE1 3.5Å; H619-D621 PolarHBondContact O-N 3.26Å; H619-D621 VanDerWaalsContact O-N 3.11Å; H619-L631 WeakPolarHBondContact O-CD2 3.32Å; H619-T634 WeakPolarHBondContact CD2-CG2 3.42Å; H619-T634 PolarHBondContact CD2-OG1 3.23Å
620P60.9Low62Low51 Ų5176.3 Ų76.333%0.33142%0.42SS..  trans-71.3101.3166.727.5-29000108.9W439 G622W439-P620 HydrophobicContact CH2-CB 3.53Å; W439-P620 HydrophobicContact CH2-CG 3.95Å; W439-P620 HydrophobicContact CZ2-CB 4.18Å; W439-P620 HydrophobicContact CZ2-CG 4.14Å; W439-P620 HydrophobicContact CZ3-CB 4.23Å; P620-G622 PolarHBondContact O-N 2.83Å
621D50.8Low60.2Low60 Ų6072.6 Ų72.632%0.32140%0.401SS..  trans-80.930.7178.669.7-40.4000113H619 N623 G630 I632H619-D621 PolarHBondContact O-N 3.26Å; H619-D621 VanDerWaalsContact O-N 3.11Å; D621-N623 VanDerWaalsContact C-N 3.31Å; D621-N623 PolarHBondContact O-N 3.22Å; D621-N623 PolarHBondContact OD1-ND2 3.05Å; D621-N623 PolarHBondContact OD2-ND2 2.83Å; D621-G630 VanDerWaalsContact CG-O 3.23Å; D621-G630 VanDerWaalsContact OD2-C 3.28Å; D621-I632 HydrophobicContact CB-CD1 4.28Å; D621-I632 HydrophobicContact CB-CG1 4.39Å
622G46.6Very low58.4Low50 Ų5072.7 Ų72.752%0.51539%0.394SS..SBendtrans80.20.7179.200000115.4R353 P620 S624R353-G622 PolarHBondContact NH2-O 3.25Å; P620-G622 PolarHBondContact O-N 2.83Å; G622-S624 PolarHBondContact O-N 2.95Å
623N38.2Very low56.8Low53 Ų5370.3 Ų70.328%0.28338%0.377SS..  trans-64.9128-176.9-77.4-40.8000114.6R353 D621 R629 G630R353-N623 PolarHBondContact NH2-O 2.76Å; D621-N623 VanDerWaalsContact C-N 3.31Å; D621-N623 PolarHBondContact O-N 3.22Å; D621-N623 PolarHBondContact OD1-ND2 3.05Å; D621-N623 PolarHBondContact OD2-ND2 2.83Å; N623-R629 PolarHBondContact ND2-O 3.39Å; N623-G630 WeakPolarHBondContact ND2-CA 3.26Å
624S41Very low54.9Low81 Ų8171 Ų7157%0.56637%0.374SS*.  trans-116.9-4.8-165.249.30000115.4G622G622-S624 PolarHBondContact O-N 2.95Å
625M35.7Very low52.4Low182 Ų18279.7 Ų79.790%0.89741%0.405SS*.SBendtrans-130.8-28.1179.5-74.3-132.5-8700115.7
626D40.2Very low50.7Low63 Ų6375.4 Ų75.434%0.33739%0.394SS..  trans-139.791172-174.9-6000107.7M628 R629D626-M628 PolarHBondContact O-N 3.05Å; D626-M628 PolarHBondContact OD1-N 3.13Å; D626-R629 HydrophobicContact CB-CB 4.26Å; D626-R629 HydrophobicContact CB-CG 4.36Å; D626-R629 PolarHBondContact O-N 2.75Å; D626-R629 WeakPolarHBondContact OD2-CD 3.4Å; D626-R629 VanDerWaalsContact OD2-CG 3.32Å; D626-R629 WeakPolarHBondContact OD2-CG 3.43Å; D626-R629 IonicContact OD2-CZ 2.72Å; D626-R629 IonicContact OD2-NE 3.88Å; D626-R629 PolarHBondContact OD2-NE 3.47Å
627M43.6Very low48.9Very low26 Ų2677 Ų7713%0.12840%0.404CS..THydrogen-bonded Turntrans-67.3-7.2-171.7-71.3-175.4-67.500113.7K438 W439 P440 L631K438-M627 HydrophobicContact CD-CE 3.56Å; K438-M627 HydrophobicContact CG-CE 3.58Å; W439-M627 WeakPolarHBondContact O-CE 3.48Å; P440-M627 WeakPolarHBondContact CD-SD 3.43Å; M627-L631 WeakPolarHBondContact O-CD1 3.37Å; M627-L631 WeakPolarHBondContact O-CD2 3.39Å; M627-L631 VanDerWaalsContact O-CG 3.28Å; M627-L631 WeakPolarHBondContact O-CG 3.2Å
628M43.3Very low47Very low73 Ų7376.2 Ų76.236%0.3641%0.405SS..THydrogen-bonded Turntrans-94.8-13.5174.6-57.3-171.4-54.200112.3V567 D626V567-M628 HydrophobicContact CB-CB 4.49Å; V567-M628 HydrophobicContact CB-SD 4.31Å; V567-M628 HydrophobicContact CG1-CB 4.33Å; V567-M628 HydrophobicContact CG1-CG 3.92Å; V567-M628 HydrophobicContact CG1-SD 3.32Å; V567-M628 WeakPolarHBondContact CG1-SD 3.49Å; D626-M628 PolarHBondContact O-N 3.05Å; D626-M628 PolarHBondContact OD1-N 3.13Å
629R34.8Very low45.4Very low186 Ų18680.7 Ų80.770%0.70243%0.429SS*.SBendtrans-87.4135.4168-76.1-178.7175.9168.8-1108.9N623 D626N623-R629 PolarHBondContact ND2-O 3.39Å; D626-R629 HydrophobicContact CB-CB 4.26Å; D626-R629 HydrophobicContact CB-CG 4.36Å; D626-R629 PolarHBondContact O-N 2.75Å; D626-R629 WeakPolarHBondContact OD2-CD 3.4Å; D626-R629 VanDerWaalsContact OD2-CG 3.32Å; D626-R629 WeakPolarHBondContact OD2-CG 3.43Å; D626-R629 IonicContact OD2-CZ 2.72Å; D626-R629 IonicContact OD2-NE 3.88Å; D626-R629 PolarHBondContact OD2-NE 3.47Å
630G40.5Very low44Very low41 Ų4182.1 Ų82.142%0.42344%0.439SS..SBendtrans88.8-6173.400000117D621 N623 I632D621-G630 VanDerWaalsContact CG-O 3.23Å; D621-G630 VanDerWaalsContact OD2-C 3.28Å; N623-G630 WeakPolarHBondContact ND2-CA 3.26Å; G630-I632 WeakPolarHBondContact O-CG1 3.23Å; G630-I632 PolarHBondContact O-N 3.36Å
631L47.8Very low42.9Very low6 Ų684.1 Ų84.13%0.03145%0.446CS..PPolyproline II helixtrans-55.7125.4177.6-64.8174.5000112.2L569 L605 L618 H619 M627L569-L631 HydrophobicContact CD2-CB 3.73Å; L569-L631 HydrophobicContact CD2-CD1 4.33Å; L605-L631 HydrophobicContact CD2-CD1 4.33Å; L618-L631 HydrophobicContact CB-CB 4.34Å; L618-L631 HydrophobicContact CB-CD1 4.45Å; L618-L631 HydrophobicContact CB-CD2 4.45Å; L618-L631 HydrophobicContact CD1-CB 4.05Å; L618-L631 HydrophobicContact CD1-CD1 3.55Å; L618-L631 HydrophobicContact CD1-CG 4.36Å; H619-L631 WeakPolarHBondContact O-CD2 3.32Å; M627-L631 WeakPolarHBondContact O-CD1 3.37Å; M627-L631 WeakPolarHBondContact O-CD2 3.39Å; M627-L631 VanDerWaalsContact O-CG 3.28Å; M627-L631 WeakPolarHBondContact O-CG 3.2Å
632I46.4Very low42.3Very low96 Ų9685.9 Ų85.949%0.49246%0.455SS..EExtended strand (participates in β ladder)trans-97.9127.7-178.2-54.9177.3000109.2D621 G630 T634D621-I632 HydrophobicContact CB-CD1 4.28Å; D621-I632 HydrophobicContact CB-CG1 4.39Å; G630-I632 WeakPolarHBondContact O-CG1 3.23Å; G630-I632 PolarHBondContact O-N 3.36Å; I632-T634 PolarHBondContact O-N 3.45Å
633I53Low42Very low38 Ų3888.6 Ų88.620%0.19545%0.45CS..EExtended strand (participates in β ladder)trans-71.3122.8168.6-60.2178.7000108L569 I571 H616 L618L569-I633 HydrophobicContact CD1-CD1 3.8Å; L569-I633 HydrophobicContact CD1-CG1 3.71Å; I571-I633 HydrophobicContact CD1-CD1 3.76Å; I571-I633 HydrophobicContact CG1-CD1 3.86Å; H616-I633 HydrophobicContact CB-CG2 4.27Å; L618-I633 HydrophobicContact CD2-CG1 3.96Å
634T46.5Very low42.3Very low56 Ų5691.6 Ų91.634%0.34446%0.464SS..PPolyproline II helixtrans-87.2140.2168.347.70000110.2K617 H619 I632K617-T634 PolarHBondContact O-OG1 2.9Å; H619-T634 WeakPolarHBondContact CD2-CG2 3.42Å; H619-T634 PolarHBondContact CD2-OG1 3.23Å; I632-T634 PolarHBondContact O-N 3.45Å
635K35.4Very low42.5Very low251 Ų25192.5 Ų92.5100%1.09145%0.454SS*.  trans-76.30174.2-88.8-175.3176.2175.30111.3

Retrieved 635 of 635 residues in 193.2 ms (Link to these results)

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