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1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase

The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by activated phosphatidylinositol-specific phospholipase C enzymes.

AlphaFold DB , UniProt , Accession A0A077YY87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,185 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
1M26.4Very low48.2Very low236 Ų236118.5 Ų118.5100%1.16358%0.583SS**  085.30-75.3178.8179.400108.2K3M1-K3 PolarHBondContact O-N 3.27Å
2N29.9Very low50.4Low119 Ų119117.3 Ų117.364%0.63659%0.591SS**  trans-92.585.9173.2-76.2-3.1000107.8
3K31.9Very low52.6Low171 Ų171109.9 Ų109.974%0.74356%0.555SS**  trans-70.7122.4144.7-81.4-170.2171-166.30104.3M1M1-K3 PolarHBondContact O-N 3.27Å
4H41.5Very low54.8Low147 Ų147105.1 Ų105.168%0.68154%0.535SS*.  trans-43.2129.5155.2-107.5-78.7000105.7D6H4-D6 PolarHBondContact O-N 2.89Å
5P45.8Very low57Low90 Ų90105.1 Ų105.158%0.58453%0.532SS*.  trans-51.3122.6174.920.2-28.6000106.2F7P5-F7 HydrophobicContact CB-CB 4.31Å; P5-F7 PolarHBondContact O-N 3.04Å
6D50Low58.8Low145 Ų145101.3 Ų101.378%0.77551%0.513SS*.  trans-66.540.4173.5-71.3-41.9000109.3H4 Q8H4-D6 PolarHBondContact O-N 2.89Å; D6-Q8 PolarHBondContact O-N 3.46Å
7F52.8Low60.3Low48 Ų4895.9 Ų95.921%0.21149%0.487CS..  trans-89.893.6175.8-176.9-105.6000106.5P5 W9 F151 F300 T304P5-F7 HydrophobicContact CB-CB 4.31Å; P5-F7 PolarHBondContact O-N 3.04Å; F7-W9 HydrophobicContact CD1-CB 4.19Å; F7-W9 HydrophobicContact CE1-CB 3.74Å; F7-W9 PolarHBondContact O-N 3.09Å; F7-F151 HydrophobicContact CE1-CE1 4.13Å; F7-F151 AromaticContact CE2-CE1 3.7Å; F7-F151 HydrophobicContact CE2-CE1 3.7Å; F7-F151 HydrophobicContact CE2-CZ 4.36Å; F7-F151 AromaticContact CZ-CD1 3.98Å; F7-F151 HydrophobicContact CZ-CD1 3.98Å; F7-F151 AromaticContact CZ-CE1 3.4Å; F7-F151 HydrophobicContact CZ-CE1 3.4Å; F7-F151 VanDerWaalsContact CZ-CE1 3.4Å; F7-F151 HydrophobicContact CZ-CZ 4.45Å; F7-F300 AromaticContact CD1-CD1 3.77Å; F7-F300 HydrophobicContact CD1-CD1 3.77Å; F7-F300 HydrophobicContact CD1-CE1 4.02Å; F7-F300 HydrophobicContact CD1-CG 4.45Å; F7-F300 AromaticContact CE1-CD1 3.67Å; F7-F300 HydrophobicContact CE1-CD1 3.67Å; F7-F300 AromaticContact CE1-CE1 3.7Å; F7-F300 HydrophobicContact CE1-CE1 3.7Å; F7-F300 HydrophobicContact CG-CD1 4.34Å; F7-F300 HydrophobicContact CZ-CD1 4.17Å; F7-F300 HydrophobicContact CZ-CE1 4.44Å; F7-T304 HydrophobicContact CD2-CG2 3.74Å; F7-T304 HydrophobicContact CE2-CG2 3.79Å
8Q59.3Low61.6Low141 Ų14193.3 Ų93.366%0.65947%0.474SS*.  trans-82.297.6172.8-158.2174.6-0.100107.4D6 Q10 F151D6-Q8 PolarHBondContact O-N 3.46Å; Q8-Q10 VanDerWaalsContact C-N 3.28Å; Q8-F151 VanDerWaalsContact O-CZ 3.32Å; Q8-F151 WeakPolarHBondContact O-CZ 3.04Å
9W62.9Low63.1Low74 Ų7497.6 Ų97.628%0.2848%0.484SS..  trans-69.3-29.7179.971.1-101.7000112.5F7 V11 L44 F46 F151 E293F7-W9 HydrophobicContact CD1-CB 4.19Å; F7-W9 HydrophobicContact CE1-CB 3.74Å; F7-W9 PolarHBondContact O-N 3.09Å; W9-V11 PolarHBondContact O-N 2.96Å; W9-L44 HydrophobicContact CH2-CD2 4.11Å; W9-F46 HydrophobicContact CZ3-CZ 4.25Å; W9-F151 VanDerWaalsContact CA-CE1 3.47Å; W9-F151 HydrophobicContact CB-CD1 4.34Å; W9-F151 HydrophobicContact CB-CE1 4.32Å; W9-F151 VanDerWaalsContact O-CD1 3.26Å; W9-F151 WeakPolarHBondContact O-CD1 3.42Å; W9-E293 PolarHBondContact NE1-OE1 3.33Å
10Q63.4Low64.3Low87 Ų8793.5 Ų93.541%0.40747%0.467SS..SBendtrans-77.7115.2172.3-78.1179.3-15.300109.4Q8Q8-Q10 VanDerWaalsContact C-N 3.28Å
11V66.6Low65.5Low45 Ų4589.5 Ų89.527%0.27345%0.448SS..PPolyproline II helixtrans-81.2125.3166.8-178.70000108.1W9 V13 L149 F151W9-V11 PolarHBondContact O-N 2.96Å; V11-V13 PolarHBondContact O-N 3.34Å; V11-V13 VanDerWaalsContact O-N 3.14Å; V11-L149 HydrophobicContact CB-CD2 3.18Å; V11-L149 HydrophobicContact CG1-CD2 3.44Å; V11-L149 VanDerWaalsContact CG1-CD2 3.44Å; V11-L149 HydrophobicContact CG2-CD2 3.25Å; V11-F151 HydrophobicContact CG2-CD2 3.19Å; V11-F151 HydrophobicContact CG2-CE2 3.1Å; V11-F151 HydrophobicContact CG2-CG 4.23Å; V11-F151 HydrophobicContact CG2-CZ 4.08Å
12P73.9Confident68.5Low104 Ų10483.4 Ų83.468%0.67541%0.413SS*.PPolyproline II helixtrans-63.2119.6178.923.3-31.3000110.3
13V79.5Confident71.3Confident22 Ų2278 Ų7813%0.13338%0.384CS..PPolyproline II helixtrans-75.3130.8174.1-177.70000108.9V11 E15 L17 L18 V41 D42V11-V13 PolarHBondContact O-N 3.34Å; V11-V13 VanDerWaalsContact O-N 3.14Å; V13-E15 PolarHBondContact O-N 3.14Å; V13-L17 HydrophobicContact CG1-CB 4.03Å; V13-L18 HydrophobicContact CB-CD1 4.27Å; V13-L18 HydrophobicContact CB-CD2 4.34Å; V13-L18 HydrophobicContact CB-CG 3.99Å; V13-L18 HydrophobicContact CG1-CD2 4.4Å; V13-L18 HydrophobicContact CG1-CG 3.87Å; V13-L18 VanDerWaalsContact O-CD1 3.3Å; V13-L18 WeakPolarHBondContact O-CD1 3.46Å; V13-V41 HydrophobicContact CG1-CB 3.84Å; V13-V41 HydrophobicContact CG1-CG1 3.8Å; V13-V41 HydrophobicContact CG2-CG1 4.16Å; V13-D42 WeakPolarHBondContact CG2-O 3.36Å
14P83.4Confident74Confident42 Ų4270.6 Ų70.627%0.27335%0.353SS..PPolyproline II helixtrans-57.6138.5177.2-25.934.5000112.5L16 L17 L18 V142 V146P14-L16 PolarHBondContact O-N 2.94Å; P14-L17 HydrophobicContact CG-CD1 4.43Å; P14-L17 PolarHBondContact O-N 3.1Å; P14-L18 PolarHBondContact O-N 3.43Å; P14-L18 VanDerWaalsContact O-N 3.1Å; P14-V142 HydrophobicContact CB-CG1 3.9Å; P14-V142 HydrophobicContact CG-CG1 4.42Å; P14-V146 HydrophobicContact CG-CG2 3.99Å
15E86.9Confident76.3Confident105 Ų10564.7 Ų64.749%0.49132%0.324SS..Hα-helixtrans-51.9-34.2-178.6-172.668-17400113.3V13 L17 L18 R19V13-E15 PolarHBondContact O-N 3.14Å; E15-L17 PolarHBondContact O-N 3.32Å; E15-L18 PolarHBondContact O-N 2.99Å; E15-R19 HydrophobicContact CG-CG 4.47Å; E15-R19 WeakPolarHBondContact O-CB 3.3Å; E15-R19 WeakPolarHBondContact O-CG 3.29Å; E15-R19 PolarHBondContact O-N 2.94Å; E15-R19 IonicContact OE1-CZ 3.76Å; E15-R19 IonicContact OE1-NE 3.77Å; E15-R19 PolarHBondContact OE1-NE 3.01Å; E15-R19 IonicContact OE1-NH2 2.93Å; E15-R19 PolarHBondContact OE1-NH2 2.68Å
16L86.8Confident78.3Confident44 Ų4461.4 Ų61.423%0.2330%0.302CS..Hα-helixtrans-58.7-45.4175.6-177.374000111.9P14 G20 A21 D139 V142P14-L16 PolarHBondContact O-N 2.94Å; L16-G20 CarbonylContact O-C 3.53Å; L16-G20 WeakPolarHBondContact O-CA 3.47Å; L16-G20 PolarHBondContact O-N 3.13Å; L16-A21 HydrophobicContact CD1-CB 4.2Å; L16-A21 HydrophobicContact CG-CB 4.34Å; L16-D139 HydrophobicContact CD2-CB 3.82Å; L16-V142 HydrophobicContact CB-CG1 4.27Å; L16-V142 HydrophobicContact CD2-CB 3.97Å; L16-V142 HydrophobicContact CD2-CG1 3.99Å
17L83.9Confident80Confident11 Ų1155.5 Ų55.56%0.05827%0.27CS..Hα-helixtrans-78.8-30.9-178-71.3173000112.3V13 P14 E15 R40 V41 V146V13-L17 HydrophobicContact CG1-CB 4.03Å; P14-L17 HydrophobicContact CG-CD1 4.43Å; P14-L17 PolarHBondContact O-N 3.1Å; E15-L17 PolarHBondContact O-N 3.32Å; L17-R40 WeakPolarHBondContact O-CA 3.37Å; L17-V41 HydrophobicContact CB-CB 4.08Å; L17-V41 HydrophobicContact CB-CG2 3.97Å; L17-V41 HydrophobicContact CD1-CG2 4.13Å; L17-V41 HydrophobicContact CD2-CG2 4.28Å; L17-V41 HydrophobicContact CG-CG2 4.37Å; L17-V41 PolarHBondContact O-N 2.97Å; L17-V146 HydrophobicContact CD1-CG2 3.37Å
18L84.1Confident81.6Confident48 Ų4857.4 Ų57.425%0.25128%0.28SS..Hα-helixtrans-62.2-49.9171.3-82.5164.9000112V13 P14 E15 R40 D43V13-L18 HydrophobicContact CB-CD1 4.27Å; V13-L18 HydrophobicContact CB-CD2 4.34Å; V13-L18 HydrophobicContact CB-CG 3.99Å; V13-L18 HydrophobicContact CG1-CD2 4.4Å; V13-L18 HydrophobicContact CG1-CG 3.87Å; V13-L18 VanDerWaalsContact O-CD1 3.3Å; V13-L18 WeakPolarHBondContact O-CD1 3.46Å; P14-L18 PolarHBondContact O-N 3.43Å; P14-L18 VanDerWaalsContact O-N 3.1Å; E15-L18 PolarHBondContact O-N 2.99Å; L18-R40 PolarHBondContact O-NE 3.32Å; L18-R40 VanDerWaalsContact O-NE 3.11Å; L18-R40 PolarHBondContact O-NH2 3.33Å; L18-D43 HydrophobicContact CD2-CB 3.89Å
19R89Confident82.7Confident176 Ų17656.4 Ų56.466%0.66428%0.279SS*.Hα-helixtrans-71.7-35.2178.2-69.6-175.3-172.8-175.95.7112.3E15 F38E15-R19 HydrophobicContact CG-CG 4.47Å; E15-R19 WeakPolarHBondContact O-CB 3.3Å; E15-R19 WeakPolarHBondContact O-CG 3.29Å; E15-R19 PolarHBondContact O-N 2.94Å; E15-R19 IonicContact OE1-CZ 3.76Å; E15-R19 IonicContact OE1-NE 3.77Å; E15-R19 PolarHBondContact OE1-NE 3.01Å; E15-R19 IonicContact OE1-NH2 2.93Å; E15-R19 PolarHBondContact OE1-NH2 2.68Å; R19-F38 WeakPolarHBondContact O-CZ 3.47Å
20G86.9Confident83.7Confident15 Ų1556.2 Ų56.216%0.15529%0.289CS..  trans98.8153.4-177.400000113.8L16 F39 R40L16-G20 CarbonylContact O-C 3.53Å; L16-G20 WeakPolarHBondContact O-CA 3.47Å; L16-G20 PolarHBondContact O-N 3.13Å; G20-F39 CarbonylContact C-O 3.57Å; G20-F39 WeakPolarHBondContact CA-O 3.34Å; G20-R40 VanDerWaalsContact CA-CG 3.48Å
21A89.7Confident84.5Confident9 Ų953.9 Ų53.97%0.07429%0.289CS..EExtended strand (participates in β ladder)trans-144.2153.7178.700000110.9L16 F23 F39L16-A21 HydrophobicContact CD1-CB 4.2Å; L16-A21 HydrophobicContact CG-CB 4.34Å; A21-F23 HydrophobicContact CB-CD2 4.49Å; A21-F23 HydrophobicContact CB-CE2 3.71Å; A21-F23 HydrophobicContact CB-CZ 4.3Å; A21-F23 WeakPolarHBondContact O-CD2 3.27Å; A21-F39 PolarHBondContact N-O 3.26Å; A21-F39 PolarHBondContact O-N 3.47Å
22Y90.5Very high85.4Confident108 Ų10854.5 Ų54.542%0.42429%0.292SS..EExtended strand (participates in β ladder)trans-86.7132.9178.8-70.4-80.3000111.1K36 C37 F38Y22-K36 HydrophobicContact CD1-CB 4.38Å; Y22-C37 CarbonylContact C-O 3.58Å; Y22-C37 WeakPolarHBondContact CA-O 3.07Å; Y22-F38 HydrophobicContact CD1-CB 4Å; Y22-F38 AromaticContact CD1-CD2 3.88Å; Y22-F38 HydrophobicContact CD1-CD2 3.88Å; Y22-F38 HydrophobicContact CD1-CG 4.43Å; Y22-F38 AromaticContact CD2-CD2 3.97Å; Y22-F38 HydrophobicContact CD2-CD2 3.97Å; Y22-F38 HydrophobicContact CD2-CE2 4.36Å; Y22-F38 HydrophobicContact CE1-CB 3.72Å; Y22-F38 AromaticContact CE1-CD2 3.65Å; Y22-F38 HydrophobicContact CE1-CD2 3.65Å; Y22-F38 HydrophobicContact CE1-CG 4.04Å; Y22-F38 AromaticContact CE2-CD2 3.72Å; Y22-F38 HydrophobicContact CE2-CD2 3.72Å; Y22-F38 HydrophobicContact CE2-CE2 4Å; Y22-F38 HydrophobicContact CG-CD2 4.04Å; Y22-F38 AromaticContact CZ-CD2 3.56Å
23F89Confident85.9Confident5 Ų551.4 Ų51.42%0.02227%0.268CS..EExtended strand (participates in β ladder)trans-133.4148172.8-62.2-99.2000110.2A21 K36 C37 F39 L116 L132 L133 A134A21-F23 HydrophobicContact CB-CD2 4.49Å; A21-F23 HydrophobicContact CB-CE2 3.71Å; A21-F23 HydrophobicContact CB-CZ 4.3Å; A21-F23 WeakPolarHBondContact O-CD2 3.27Å; F23-K36 CarbonylContact O-C 3.59Å; F23-C37 PolarHBondContact N-O 3.41Å; F23-C37 WeakPolarHBondContact O-CA 3.27Å; F23-C37 VanDerWaalsContact O-CB 3.3Å; F23-C37 WeakPolarHBondContact O-CB 3.48Å; F23-C37 PolarHBondContact O-N 3.37Å; F23-F39 HydrophobicContact CB-CD2 3.78Å; F23-F39 HydrophobicContact CB-CE2 3.94Å; F23-F39 HydrophobicContact CD2-CB 3.83Å; F23-F39 AromaticContact CD2-CD2 3.69Å; F23-F39 HydrophobicContact CD2-CD2 3.69Å; F23-F39 HydrophobicContact CD2-CG 4.01Å; F23-F39 HydrophobicContact CE2-CB 4.11Å; F23-F39 HydrophobicContact CG-CD2 4.08Å; F23-L116 HydrophobicContact CE1-CD1 3.88Å; F23-L132 HydrophobicContact CB-CB 4.3Å; F23-L132 HydrophobicContact CD1-CB 4.01Å; F23-L132 HydrophobicContact CG-CB 4.42Å; F23-L133 CarbonylContact C-O 3.59Å; F23-L133 VanDerWaalsContact CA-O 3.26Å; F23-L133 WeakPolarHBondContact CA-O 3.5Å; F23-A134 HydrophobicContact CD1-CB 3.88Å; F23-A134 HydrophobicContact CE1-CB 3.56Å; F23-A134 HydrophobicContact CZ-CB 4.49Å
24D88.5Confident86.3Confident17 Ų1750.6 Ų50.69%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-86131160.8-59.7-47.2000108.8F33 P35 K36 R104 L132 L133D24-F33 HydrophobicContact CB-CE2 3.91Å; D24-F33 HydrophobicContact CB-CZ 4.04Å; D24-P35 WeakPolarHBondContact OD1-CA 3.34Å; D24-K36 PolarHBondContact OD1-N 3.44Å; D24-R104 IonicContact OD1-NH1 3.81Å; D24-R104 PolarHBondContact OD1-NH1 3.28Å; D24-R104 IonicContact OD2-CZ 2.79Å; D24-R104 IonicContact OD2-NH1 2.93Å; D24-R104 PolarHBondContact OD2-NH1 3.46Å; D24-L132 CarbonylContact O-C 3.58Å; D24-L132 VanDerWaalsContact O-CA 3.27Å; D24-L132 WeakPolarHBondContact O-CA 3.36Å; D24-L133 HydrophobicContact CB-CB 4.23Å; D24-L133 PolarHBondContact N-O 2.92Å; D24-L133 PolarHBondContact O-N 3.07Å
25R88.5Confident86.5Confident22 Ų2251.1 Ų51.18%0.08327%0.267CS..EExtended strand (participates in β ladder)trans-110135.7-179.8175.8179.7162.7-129.45.8111D27 F33 E34 F39 W50 Y131 L132R25-D27 IonicContact CZ-OD2 3.83Å; R25-D27 IonicContact NH2-OD2 3.08Å; R25-D27 PolarHBondContact NH2-OD2 3.41Å; R25-F33 CarbonylContact O-C 3.58Å; R25-F33 WeakPolarHBondContact O-CA 3.38Å; R25-F33 WeakPolarHBondContact O-CD2 3.47Å; R25-E34 HydrophobicContact CB-CB 4.48Å; R25-E34 IonicContact CZ-OE2 3.07Å; R25-E34 PolarHBondContact N-O 3.13Å; R25-E34 IonicContact NH1-OE2 3.67Å; R25-E34 PolarHBondContact NH1-OE2 2.63Å; R25-E34 PolarHBondContact O-N 2.68Å; R25-F39 HydrophobicContact CB-CE2 4.4Å; R25-F39 HydrophobicContact CB-CZ 4.42Å; R25-W50 VanDerWaalsContact NH1-CZ2 3.32Å; R25-Y131 CarbonylContact C-O 3.59Å; R25-Y131 WeakPolarHBondContact CA-O 3.35Å; R25-L132 HydrophobicContact CB-CD2 3.74Å; R25-L132 HydrophobicContact CG-CD2 3.77Å
26L88Confident86.5Confident21 Ų2152.5 Ų52.511%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-121.9117.9166.5174.364.7000108.9F33 F73 P74 V97 Y131L26-F33 HydrophobicContact CB-CD2 4.35Å; L26-F33 HydrophobicContact CD1-CB 4.37Å; L26-F73 HydrophobicContact CB-CZ 4.15Å; L26-F73 HydrophobicContact CD2-CE1 4.14Å; L26-F73 HydrophobicContact CD2-CZ 4.23Å; L26-P74 HydrophobicContact CD2-CG 4.25Å; L26-V97 HydrophobicContact CD1-CG1 4.24Å; L26-Y131 HydrophobicContact CD2-CD2 4.23Å; L26-Y131 HydrophobicContact CG-CD2 4.32Å; L26-Y131 PolarHBondContact N-O 2.91Å; L26-Y131 PolarHBondContact O-N 3.09Å
27D86.7Confident86.6Confident22 Ų2250.4 Ų50.412%0.11826%0.26CS..EExtended strand (participates in β ladder)trans-90122.9174.7-174.4-95.8000109.8R25 S30 G31 T32 S130R25-D27 IonicContact CZ-OD2 3.83Å; R25-D27 IonicContact NH2-OD2 3.08Å; R25-D27 PolarHBondContact NH2-OD2 3.41Å; D27-S30 WeakPolarHBondContact CB-OG 3.44Å; D27-S30 VanDerWaalsContact CG-OG 3.31Å; D27-S30 VanDerWaalsContact OD1-CB 3.26Å; D27-S30 WeakPolarHBondContact OD1-CB 3.41Å; D27-S30 PolarHBondContact OD1-N 3.48Å; D27-S30 PolarHBondContact OD1-OG 2.87Å; D27-G31 CarbonylContact O-C 3.5Å; D27-G31 WeakPolarHBondContact O-CA 3.27Å; D27-G31 PolarHBondContact O-N 3.45Å; D27-T32 PolarHBondContact N-O 2.92Å; D27-T32 PolarHBondContact O-N 2.93Å; D27-S130 PolarHBondContact OD2-OG 3.41Å
28E85.8Confident86.9Confident87 Ų8752.9 Ų52.941%0.40727%0.271SS..THydrogen-bonded Turntrans-69.5-45.2-172.9-170.5168.8-11800112.5G31 F129 Y131E28-G31 PolarHBondContact O-N 3.35Å; E28-F129 HydrophobicContact CB-CB 4.04Å; E28-F129 WeakPolarHBondContact CB-O 3.5Å; E28-F129 PolarHBondContact N-O 3.49Å; E28-F129 WeakPolarHBondContact OE2-CB 3.5Å; E28-F129 WeakPolarHBondContact OE2-CD2 3.34Å; E28-F129 WeakPolarHBondContact OE2-CG 3.38Å; E28-Y131 HydrophobicContact CB-CE2 3.89Å; E28-Y131 HydrophobicContact CG-CE2 4.16Å; E28-Y131 PolarHBondContact OE1-OH 3.35Å
29D82.9Confident87.1Confident120 Ų12050.9 Ų50.964%0.64226%0.26SS*.THydrogen-bonded Turntrans-68.3-40.2-174.2-69.9-39.1000112.4S128D29-S128 WeakPolarHBondContact OD2-CB 3.4Å
30S84.6Confident87Confident71 Ų7146.8 Ų46.850%0.49724%0.244SC..THydrogen-bonded Turntrans-90.3-15.3178.668.10000113.8D27 T32D27-S30 WeakPolarHBondContact CB-OG 3.44Å; D27-S30 VanDerWaalsContact CG-OG 3.31Å; D27-S30 VanDerWaalsContact OD1-CB 3.26Å; D27-S30 WeakPolarHBondContact OD1-CB 3.41Å; D27-S30 PolarHBondContact OD1-N 3.48Å; D27-S30 PolarHBondContact OD1-OG 2.87Å; S30-T32 WeakPolarHBondContact CB-OG1 3.29Å; S30-T32 PolarHBondContact O-N 3.05Å; S30-T32 VanDerWaalsContact OG-CB 3.27Å; S30-T32 WeakPolarHBondContact OG-CB 3.39Å; S30-T32 PolarHBondContact OG-N 3.21Å; S30-T32 PolarHBondContact OG-OG1 2.92Å
31G79.3Confident86.8Confident38 Ų3846.5 Ų46.539%0.39224%0.239SC..  trans62.617.9-169.600000113.3D27 E28D27-G31 CarbonylContact O-C 3.5Å; D27-G31 WeakPolarHBondContact O-CA 3.27Å; D27-G31 PolarHBondContact O-N 3.45Å; E28-G31 PolarHBondContact O-N 3.35Å
32T84.5Confident86.2Confident57 Ų5746.9 Ų46.935%0.3524%0.24SC..  trans-80.9123.1-175-53.50000110D27 S30 E34D27-T32 PolarHBondContact N-O 2.92Å; D27-T32 PolarHBondContact O-N 2.93Å; S30-T32 WeakPolarHBondContact CB-OG1 3.29Å; S30-T32 PolarHBondContact O-N 3.05Å; S30-T32 VanDerWaalsContact OG-CB 3.27Å; S30-T32 WeakPolarHBondContact OG-CB 3.39Å; S30-T32 PolarHBondContact OG-N 3.21Å; S30-T32 PolarHBondContact OG-OG1 2.92Å; T32-E34 HydrophobicContact CG2-CG 3.97Å
33F85.6Confident85.7Confident39 Ų3947.7 Ų47.717%0.17125%0.252CS..EExtended strand (participates in β ladder)trans-100.6126.9171.6-178.1-113.7000111.2D24 R25 L26 P35 V97 L101D24-F33 HydrophobicContact CB-CE2 3.91Å; D24-F33 HydrophobicContact CB-CZ 4.04Å; R25-F33 CarbonylContact O-C 3.58Å; R25-F33 WeakPolarHBondContact O-CA 3.38Å; R25-F33 WeakPolarHBondContact O-CD2 3.47Å; L26-F33 HydrophobicContact CB-CD2 4.35Å; L26-F33 HydrophobicContact CD1-CB 4.37Å; F33-P35 HydrophobicContact CE1-CB 3.86Å; F33-P35 HydrophobicContact CE1-CG 4.16Å; F33-P35 HydrophobicContact CZ-CB 4.13Å; F33-V97 HydrophobicContact CB-CB 4.27Å; F33-V97 HydrophobicContact CB-CG1 3.55Å; F33-V97 HydrophobicContact CB-CG2 3.66Å; F33-V97 HydrophobicContact CD1-CG1 4.1Å; F33-V97 HydrophobicContact CD1-CG2 4.31Å; F33-V97 HydrophobicContact CD2-CG1 3.63Å; F33-V97 HydrophobicContact CE2-CG1 4.35Å; F33-V97 HydrophobicContact CG-CB 4.41Å; F33-V97 HydrophobicContact CG-CG1 3.48Å; F33-V97 VanDerWaalsContact CG-CG1 3.48Å; F33-V97 HydrophobicContact CG-CG2 4.13Å; F33-L101 HydrophobicContact CD2-CD1 3.92Å; F33-L101 HydrophobicContact CE2-CD1 3.41Å; F33-L101 VanDerWaalsContact CE2-CD1 3.41Å; F33-L101 HydrophobicContact CE2-CG 4.04Å; F33-L101 HydrophobicContact CZ-CD1 3.99Å; F33-L101 HydrophobicContact CZ-CG 4.26Å
34E87.5Confident85.1Confident5 Ų548.8 Ų48.82%0.02326%0.258CS..EExtended strand (participates in β ladder)trans-125.898.4-179.3-59.5-169127.500109.3R25 T32 C37 V52 K55R25-E34 HydrophobicContact CB-CB 4.48Å; R25-E34 IonicContact CZ-OE2 3.07Å; R25-E34 PolarHBondContact N-O 3.13Å; R25-E34 IonicContact NH1-OE2 3.67Å; R25-E34 PolarHBondContact NH1-OE2 2.63Å; R25-E34 PolarHBondContact O-N 2.68Å; T32-E34 HydrophobicContact CG2-CG 3.97Å; E34-C37 WeakPolarHBondContact CB-SG 3.44Å; E34-C37 PolarHBondContact O-SG 3.13Å; E34-V52 HydrophobicContact CB-CG2 3.97Å; E34-V52 HydrophobicContact CG-CG2 4.38Å; E34-K55 IonicContact OE1-NZ 3.8Å; E34-K55 PolarHBondContact OE1-NZ 3.46Å
35P86.7Confident84.6Confident54 Ų5448 Ų4835%0.35125%0.254SS..EExtended strand (participates in β ladder)trans-74.8150.1179.429.7-33.5000111.7D24 F33 C37D24-P35 WeakPolarHBondContact OD1-CA 3.34Å; F33-P35 HydrophobicContact CE1-CB 3.86Å; F33-P35 HydrophobicContact CE1-CG 4.16Å; F33-P35 HydrophobicContact CZ-CB 4.13Å; P35-C37 VanDerWaalsContact C-N 3.3Å; P35-C37 PolarHBondContact O-N 3.11Å
36K87.9Confident83.9Confident133 Ų13349.3 Ų49.358%0.57826%0.261SS*.EExtended strand (participates in β ladder)trans50.842.5175.9-59.7-169175.2-170.70114.4Y22 F23 D24 F38Y22-K36 HydrophobicContact CD1-CB 4.38Å; F23-K36 CarbonylContact O-C 3.59Å; D24-K36 PolarHBondContact OD1-N 3.44Å; K36-F38 PolarHBondContact O-N 3.32Å
37C89.2Confident83.5Confident0 Ų050 Ų500%026%0.262CS..EExtended strand (participates in β ladder)trans-63.8126.5168.4-62.60000109.8Y22 F23 E34 P35 F39 W50 V52Y22-C37 CarbonylContact C-O 3.58Å; Y22-C37 WeakPolarHBondContact CA-O 3.07Å; F23-C37 PolarHBondContact N-O 3.41Å; F23-C37 WeakPolarHBondContact O-CA 3.27Å; F23-C37 VanDerWaalsContact O-CB 3.3Å; F23-C37 WeakPolarHBondContact O-CB 3.48Å; F23-C37 PolarHBondContact O-N 3.37Å; E34-C37 WeakPolarHBondContact CB-SG 3.44Å; E34-C37 PolarHBondContact O-SG 3.13Å; P35-C37 VanDerWaalsContact C-N 3.3Å; P35-C37 PolarHBondContact O-N 3.11Å; C37-F39 HydrophobicContact CB-CD2 3.78Å; C37-F39 HydrophobicContact CB-CE2 3.44Å; C37-F39 VanDerWaalsContact CB-CE2 3.44Å; C37-F39 HydrophobicContact CB-CZ 4.44Å; C37-F39 PolarHBondContact O-N 3.13Å; C37-W50 HydrophobicContact CB-CB 4.39Å; C37-V52 VanDerWaalsContact SG-CG2 3.55Å
38F90.2Very high83.3Confident64 Ų6449.6 Ų49.628%0.28126%0.26SS..EExtended strand (participates in β ladder)trans-87.8103.4173.5-170.2-118.3000109.8R19 Y22 K36 R40 W50 Q51R19-F38 WeakPolarHBondContact O-CZ 3.47Å; Y22-F38 HydrophobicContact CD1-CB 4Å; Y22-F38 AromaticContact CD1-CD2 3.88Å; Y22-F38 HydrophobicContact CD1-CD2 3.88Å; Y22-F38 HydrophobicContact CD1-CG 4.43Å; Y22-F38 AromaticContact CD2-CD2 3.97Å; Y22-F38 HydrophobicContact CD2-CD2 3.97Å; Y22-F38 HydrophobicContact CD2-CE2 4.36Å; Y22-F38 HydrophobicContact CE1-CB 3.72Å; Y22-F38 AromaticContact CE1-CD2 3.65Å; Y22-F38 HydrophobicContact CE1-CD2 3.65Å; Y22-F38 HydrophobicContact CE1-CG 4.04Å; Y22-F38 AromaticContact CE2-CD2 3.72Å; Y22-F38 HydrophobicContact CE2-CD2 3.72Å; Y22-F38 HydrophobicContact CE2-CE2 4Å; Y22-F38 HydrophobicContact CG-CD2 4.04Å; Y22-F38 AromaticContact CZ-CD2 3.56Å; K36-F38 PolarHBondContact O-N 3.32Å; F38-R40 HydrophobicContact CD1-CG 4.37Å; F38-R40 HydrophobicContact CE1-CG 4.02Å; F38-W50 WeakPolarHBondContact O-CA 3.19Å; F38-Q51 PolarHBondContact N-O 3.06Å; F38-Q51 PolarHBondContact O-N 3.02Å; F38-Q51 VanDerWaalsContact O-N 3.16Å
39F88.2Confident83.3Confident5 Ų548.4 Ų48.42%0.02225%0.252CS..EExtended strand (participates in β ladder)trans-90.9142.3-178.6-83.2-95.8000112.1G20 A21 F23 R25 C37 L48 Y49 W50 L132G20-F39 CarbonylContact C-O 3.57Å; G20-F39 WeakPolarHBondContact CA-O 3.34Å; A21-F39 PolarHBondContact N-O 3.26Å; A21-F39 PolarHBondContact O-N 3.47Å; F23-F39 HydrophobicContact CB-CD2 3.78Å; F23-F39 HydrophobicContact CB-CE2 3.94Å; F23-F39 HydrophobicContact CD2-CB 3.83Å; F23-F39 AromaticContact CD2-CD2 3.69Å; F23-F39 HydrophobicContact CD2-CD2 3.69Å; F23-F39 HydrophobicContact CD2-CG 4.01Å; F23-F39 HydrophobicContact CE2-CB 4.11Å; F23-F39 HydrophobicContact CG-CD2 4.08Å; R25-F39 HydrophobicContact CB-CE2 4.4Å; R25-F39 HydrophobicContact CB-CZ 4.42Å; C37-F39 HydrophobicContact CB-CD2 3.78Å; C37-F39 HydrophobicContact CB-CE2 3.44Å; C37-F39 VanDerWaalsContact CB-CE2 3.44Å; C37-F39 HydrophobicContact CB-CZ 4.44Å; C37-F39 PolarHBondContact O-N 3.13Å; F39-L48 HydrophobicContact CD1-CD1 3.78Å; F39-L48 HydrophobicContact CD1-CD2 4.1Å; F39-L48 HydrophobicContact CD1-CG 3.9Å; F39-L48 HydrophobicContact CE1-CD2 4.01Å; F39-L48 HydrophobicContact CE1-CG 4.19Å; F39-Y49 CarbonylContact C-O 3.36Å; F39-Y49 WeakPolarHBondContact CA-O 3.41Å; F39-W50 HydrophobicContact CD1-CB 3.71Å; F39-W50 HydrophobicContact CD1-CD2 4.39Å; F39-W50 HydrophobicContact CD1-CE3 4.15Å; F39-W50 HydrophobicContact CD1-CG 4.26Å; F39-W50 HydrophobicContact CD2-CB 3.89Å; F39-W50 HydrophobicContact CE1-CB 3.76Å; F39-W50 AromaticContact CE1-CD2 3.67Å; F39-W50 HydrophobicContact CE1-CD2 3.67Å; F39-W50 AromaticContact CE1-CE3 3.54Å; F39-W50 HydrophobicContact CE1-CE3 3.54Å; F39-W50 AromaticContact CE1-CG 3.8Å; F39-W50 HydrophobicContact CE1-CG 3.8Å; F39-W50 HydrophobicContact CE1-CZ3 4.36Å; F39-W50 HydrophobicContact CE2-CB 3.95Å; F39-W50 HydrophobicContact CE2-CG 4.14Å; F39-W50 HydrophobicContact CG-CB 3.79Å; F39-W50 HydrophobicContact CZ-CB 3.87Å; F39-W50 AromaticContact CZ-CD2 3.86Å; F39-W50 HydrophobicContact CZ-CD2 3.86Å; F39-W50 HydrophobicContact CZ-CE3 4.19Å; F39-W50 AromaticContact CZ-CG 3.72Å; F39-W50 HydrophobicContact CZ-CG 3.72Å; F39-L132 HydrophobicContact CE1-CD1 4.33Å; F39-L132 HydrophobicContact CE1-CD2 4.26Å; F39-L132 HydrophobicContact CE2-CD2 3.8Å; F39-L132 HydrophobicContact CZ-CD1 4.26Å; F39-L132 HydrophobicContact CZ-CD2 3.46Å; F39-L132 VanDerWaalsContact CZ-CD2 3.46Å
40R85.8Confident83.5Confident90 Ų9043.5 Ų43.534%0.3422%0.224SC..EExtended strand (participates in β ladder)trans-144.8155.4174.4-70.2-175.974.6179.80.3111.1L17 L18 G20 F38 Y49L17-R40 WeakPolarHBondContact O-CA 3.37Å; L18-R40 PolarHBondContact O-NE 3.32Å; L18-R40 VanDerWaalsContact O-NE 3.11Å; L18-R40 PolarHBondContact O-NH2 3.33Å; G20-R40 VanDerWaalsContact CA-CG 3.48Å; F38-R40 HydrophobicContact CD1-CG 4.37Å; F38-R40 HydrophobicContact CE1-CG 4.02Å; R40-Y49 HydrophobicContact CB-CD1 4.21Å; R40-Y49 HydrophobicContact CB-CD2 4.18Å; R40-Y49 HydrophobicContact CB-CE1 3.63Å; R40-Y49 HydrophobicContact CB-CE2 3.62Å; R40-Y49 HydrophobicContact CB-CG 4.46Å; R40-Y49 WeakPolarHBondContact CD-OH 3.4Å; R40-Y49 HydrophobicContact CG-CE2 4.28Å; R40-Y49 PolarHBondContact N-O 3.07Å; R40-Y49 PolarHBondContact NE-OH 3.29Å; R40-Y49 WeakPolarHBondContact O-CD1 3.5Å; R40-Y49 PolarHBondContact O-N 3.47Å
41V82.7Confident83.5Confident9 Ų945 Ų456%0.05522%0.224CC..EExtended strand (participates in β ladder)trans-115.2140.8166.21790000107.6V13 L17 Y47 L48 L62V13-V41 HydrophobicContact CG1-CB 3.84Å; V13-V41 HydrophobicContact CG1-CG1 3.8Å; V13-V41 HydrophobicContact CG2-CG1 4.16Å; L17-V41 HydrophobicContact CB-CB 4.08Å; L17-V41 HydrophobicContact CB-CG2 3.97Å; L17-V41 HydrophobicContact CD1-CG2 4.13Å; L17-V41 HydrophobicContact CD2-CG2 4.28Å; L17-V41 HydrophobicContact CG-CG2 4.37Å; L17-V41 PolarHBondContact O-N 2.97Å; V41-Y47 WeakPolarHBondContact CA-O 3.31Å; V41-L48 HydrophobicContact CG2-CD1 3.71Å; V41-L62 HydrophobicContact CG1-CD1 3.97Å
42D79Confident83.9Confident18 Ų1844.1 Ų44.110%0.09621%0.211CC..  trans-66164.9175.470.9-73.3000111.3V13 L44 G45 F46 Y47V13-D42 WeakPolarHBondContact CG2-O 3.36Å; D42-L44 PolarHBondContact O-N 3.04Å; D42-L44 WeakPolarHBondContact OD2-CA 3.46Å; D42-L44 WeakPolarHBondContact OD2-CB 3.12Å; D42-L44 PolarHBondContact OD2-N 3.45Å; D42-G45 PolarHBondContact O-N 3.2Å; D42-G45 VanDerWaalsContact O-N 3.16Å; D42-G45 PolarHBondContact OD2-N 3.26Å; D42-G45 VanDerWaalsContact OD2-N 3.09Å; D42-F46 PolarHBondContact OD1-N 2.92Å; D42-F46 PolarHBondContact OD2-N 3.27Å; D42-Y47 PolarHBondContact N-O 3.01Å; D42-Y47 PolarHBondContact OD1-N 2.88Å
43D79.8Confident83.7Confident124 Ų12448.7 Ų48.766%0.66323%0.233SC*.THydrogen-bonded Turntrans-70.4-18-174.261.2-29.6000114.8L18L18-D43 HydrophobicContact CD2-CB 3.89Å
44L75.6Confident83.4Confident28 Ų2851.1 Ų51.115%0.14727%0.269CS..THydrogen-bonded Turntrans-94-12.1174.7-59.1176.3000112.6W9 D42 F46 N158W9-L44 HydrophobicContact CH2-CD2 4.11Å; D42-L44 PolarHBondContact O-N 3.04Å; D42-L44 WeakPolarHBondContact OD2-CA 3.46Å; D42-L44 WeakPolarHBondContact OD2-CB 3.12Å; D42-L44 PolarHBondContact OD2-N 3.45Å; L44-F46 HydrophobicContact CB-CD2 3.68Å; L44-F46 HydrophobicContact CB-CE2 3.55Å; L44-F46 HydrophobicContact CB-CG 4.36Å; L44-F46 HydrophobicContact CB-CZ 4.11Å; L44-F46 HydrophobicContact CD1-CD2 4.15Å; L44-F46 HydrophobicContact CD1-CE2 3.62Å; L44-F46 HydrophobicContact CG-CE2 4.22Å; L44-N158 HydrophobicContact CD1-CB 4.07Å
45G77.3Confident83.2Confident2 Ų255.7 Ų55.72%0.02129%0.288CS..SBendtrans69.450.8-177.700000112D42 L62 L149D42-G45 PolarHBondContact O-N 3.2Å; D42-G45 VanDerWaalsContact O-N 3.16Å; D42-G45 PolarHBondContact OD2-N 3.26Å; D42-G45 VanDerWaalsContact OD2-N 3.09Å; G45-L62 WeakPolarHBondContact O-CD1 3.26Å; G45-L149 WeakPolarHBondContact O-CD1 3.48Å
46F75.7Confident82.7Confident48 Ų4860.7 Ų60.721%0.21131%0.307CS..  trans-104.5-31.8173.3-64.7-41.2000112.9W9 D42 L44 L62 L155W9-F46 HydrophobicContact CZ3-CZ 4.25Å; D42-F46 PolarHBondContact OD1-N 2.92Å; D42-F46 PolarHBondContact OD2-N 3.27Å; L44-F46 HydrophobicContact CB-CD2 3.68Å; L44-F46 HydrophobicContact CB-CE2 3.55Å; L44-F46 HydrophobicContact CB-CG 4.36Å; L44-F46 HydrophobicContact CB-CZ 4.11Å; L44-F46 HydrophobicContact CD1-CD2 4.15Å; L44-F46 HydrophobicContact CD1-CE2 3.62Å; L44-F46 HydrophobicContact CG-CE2 4.22Å; F46-L62 WeakPolarHBondContact O-CB 3.14Å; F46-L62 PolarHBondContact O-N 3.44Å; F46-L155 WeakPolarHBondContact CZ-O 3.37Å
47Y78.7Confident82.3Confident36 Ų3657.1 Ų57.114%0.14130%0.302CS..EExtended strand (participates in β ladder)trans-136.2135-170.8-59.9-92.6000111.7V41 D42 L60 D61 H159V41-Y47 WeakPolarHBondContact CA-O 3.31Å; D42-Y47 PolarHBondContact N-O 3.01Å; D42-Y47 PolarHBondContact OD1-N 2.88Å; Y47-L60 WeakPolarHBondContact CA-O 3.33Å; Y47-D61 HydrophobicContact CD1-CB 4.18Å; Y47-D61 HydrophobicContact CE1-CB 4.03Å; Y47-H159 VanDerWaalsContact CB-CE1 3.5Å; Y47-H159 WeakPolarHBondContact CB-CE1 3.46Å; Y47-H159 AromaticContact CD1-CE1 3.9Å; Y47-H159 AromaticContact CD2-CD2 3.04Å; Y47-H159 WeakPolarHBondContact CD2-CD2 3.35Å; Y47-H159 AromaticContact CD2-CE1 3.11Å; Y47-H159 WeakPolarHBondContact CD2-CE1 3.4Å; Y47-H159 AromaticContact CD2-CG 3.54Å; Y47-H159 AromaticContact CD2-ND1 3.54Å; Y47-H159 AromaticContact CD2-NE2 2.84Å; Y47-H159 WeakPolarHBondContact CD2-NE2 3.4Å; Y47-H159 HydrophobicContact CE2-CB 3.94Å; Y47-H159 AromaticContact CE2-CD2 3.02Å; Y47-H159 WeakPolarHBondContact CE2-CD2 3.3Å; Y47-H159 AromaticContact CE2-CE1 3.69Å; Y47-H159 AromaticContact CE2-CG 3.24Å; Y47-H159 AromaticContact CE2-ND1 3.61Å; Y47-H159 AromaticContact CE2-NE2 3.43Å; Y47-H159 WeakPolarHBondContact CE2-NE2 3.49Å; Y47-H159 AromaticContact CG-CD2 3.96Å; Y47-H159 AromaticContact CG-CE1 3.2Å; Y47-H159 AromaticContact CG-ND1 3.72Å; Y47-H159 AromaticContact CG-NE2 3.43Å; Y47-H159 AromaticContact CZ-CD2 3.98Å; Y47-H159 AromaticContact CZ-CG 3.73Å; Y47-H159 AromaticContact CZ-ND1 3.91Å
48L82.6Confident82.1Confident14 Ų1460.4 Ų60.47%0.07332%0.318CS..EExtended strand (participates in β ladder)trans-88.4127.5159.7-177.367.6000107.8F39 V41 T59 L60 L62 I65 L118F39-L48 HydrophobicContact CD1-CD1 3.78Å; F39-L48 HydrophobicContact CD1-CD2 4.1Å; F39-L48 HydrophobicContact CD1-CG 3.9Å; F39-L48 HydrophobicContact CE1-CD2 4.01Å; F39-L48 HydrophobicContact CE1-CG 4.19Å; V41-L48 HydrophobicContact CG2-CD1 3.71Å; L48-T59 CarbonylContact O-C 3.47Å; L48-T59 WeakPolarHBondContact O-CA 3.44Å; L48-L60 PolarHBondContact N-O 3.47Å; L48-L60 PolarHBondContact O-N 3.08Å; L48-L62 HydrophobicContact CB-CD2 3.81Å; L48-I65 HydrophobicContact CD2-CD1 4.5Å; L48-L118 HydrophobicContact CD2-CD1 4.31Å; L48-L118 HydrophobicContact CD2-CD2 4.16Å
49Y85.3Confident81.6Confident61 Ų6161.3 Ų61.324%0.23933%0.329CS..EExtended strand (participates in β ladder)trans-134.7147.9177.365.4-84.8000111.5F39 R40 Q58F39-Y49 CarbonylContact C-O 3.36Å; F39-Y49 WeakPolarHBondContact CA-O 3.41Å; R40-Y49 HydrophobicContact CB-CD1 4.21Å; R40-Y49 HydrophobicContact CB-CD2 4.18Å; R40-Y49 HydrophobicContact CB-CE1 3.63Å; R40-Y49 HydrophobicContact CB-CE2 3.62Å; R40-Y49 HydrophobicContact CB-CG 4.46Å; R40-Y49 WeakPolarHBondContact CD-OH 3.4Å; R40-Y49 HydrophobicContact CG-CE2 4.28Å; R40-Y49 PolarHBondContact N-O 3.07Å; R40-Y49 PolarHBondContact NE-OH 3.29Å; R40-Y49 WeakPolarHBondContact O-CD1 3.5Å; R40-Y49 PolarHBondContact O-N 3.47Å; Y49-Q58 CarbonylContact C-O 3.59Å; Y49-Q58 WeakPolarHBondContact CA-O 3.46Å; Y49-Q58 VanDerWaalsContact CB-O 3.31Å; Y49-Q58 WeakPolarHBondContact CB-O 3.45Å
50W86.9Confident81.3Confident17 Ų1762.7 Ų62.76%0.06434%0.336CS..EExtended strand (participates in β ladder)trans-142.3150.4-18064.6100000112.1R25 C37 F38 F39 A57 Q58 L60R25-W50 VanDerWaalsContact NH1-CZ2 3.32Å; C37-W50 HydrophobicContact CB-CB 4.39Å; F38-W50 WeakPolarHBondContact O-CA 3.19Å; F39-W50 HydrophobicContact CD1-CB 3.71Å; F39-W50 HydrophobicContact CD1-CD2 4.39Å; F39-W50 HydrophobicContact CD1-CE3 4.15Å; F39-W50 HydrophobicContact CD1-CG 4.26Å; F39-W50 HydrophobicContact CD2-CB 3.89Å; F39-W50 HydrophobicContact CE1-CB 3.76Å; F39-W50 AromaticContact CE1-CD2 3.67Å; F39-W50 HydrophobicContact CE1-CD2 3.67Å; F39-W50 AromaticContact CE1-CE3 3.54Å; F39-W50 HydrophobicContact CE1-CE3 3.54Å; F39-W50 AromaticContact CE1-CG 3.8Å; F39-W50 HydrophobicContact CE1-CG 3.8Å; F39-W50 HydrophobicContact CE1-CZ3 4.36Å; F39-W50 HydrophobicContact CE2-CB 3.95Å; F39-W50 HydrophobicContact CE2-CG 4.14Å; F39-W50 HydrophobicContact CG-CB 3.79Å; F39-W50 HydrophobicContact CZ-CB 3.87Å; F39-W50 AromaticContact CZ-CD2 3.86Å; F39-W50 HydrophobicContact CZ-CD2 3.86Å; F39-W50 HydrophobicContact CZ-CE3 4.19Å; F39-W50 AromaticContact CZ-CG 3.72Å; F39-W50 HydrophobicContact CZ-CG 3.72Å; W50-A57 CarbonylContact O-C 3.48Å; W50-A57 VanDerWaalsContact O-CA 3.32Å; W50-A57 WeakPolarHBondContact O-CA 3.34Å; W50-Q58 HydrophobicContact CD2-CB 3.95Å; W50-Q58 VanDerWaalsContact CE2-CB 3.45Å; W50-Q58 HydrophobicContact CE3-CB 4.43Å; W50-Q58 HydrophobicContact CH2-CB 4.02Å; W50-Q58 HydrophobicContact CZ2-CB 3.5Å; W50-Q58 VanDerWaalsContact CZ2-CB 3.5Å; W50-Q58 HydrophobicContact CZ2-CG 4.32Å; W50-Q58 HydrophobicContact CZ3-CB 4.45Å; W50-Q58 PolarHBondContact N-O 3.31Å; W50-Q58 PolarHBondContact O-N 2.96Å; W50-L60 HydrophobicContact CH2-CB 4.22Å; W50-L60 HydrophobicContact CZ3-CB 3.85Å
51Q85.6Confident81Confident104 Ų10459.5 Ų59.549%0.48633%0.326SS..EExtended strand (participates in β ladder)trans-124.4137.4175.4-169.4173.2-0.900110.1F38 A57F38-Q51 PolarHBondContact N-O 3.06Å; F38-Q51 PolarHBondContact O-N 3.02Å; F38-Q51 VanDerWaalsContact O-N 3.16Å; Q51-A57 HydrophobicContact CB-CB 4.32Å
52V86.4Confident81Confident19 Ų1959.7 Ų59.712%0.11533%0.327CS..  trans-105.4137.9169.6-177.80000107.1E34 C37 G54 K55E34-V52 HydrophobicContact CB-CG2 3.97Å; E34-V52 HydrophobicContact CG-CG2 4.38Å; C37-V52 VanDerWaalsContact SG-CG2 3.55Å; V52-G54 PolarHBondContact O-N 3.07Å; V52-G54 VanDerWaalsContact O-N 3.16Å; V52-K55 HydrophobicContact CB-CB 4.2Å; V52-K55 HydrophobicContact CB-CD 4.18Å; V52-K55 HydrophobicContact CB-CG 4.29Å; V52-K55 HydrophobicContact CG1-CD 4.4Å; V52-K55 PolarHBondContact O-N 3.4Å
53D81.6Confident80.9Confident153 Ų15360.9 Ų60.982%0.81833%0.333SS*.THydrogen-bonded Turntrans-51.7124.1178.2-80.7-19.2000111.2K55D53-K55 VanDerWaalsContact C-N 3.32Å; D53-K55 PolarHBondContact O-N 2.99Å
54G79.8Confident81.1Confident89 Ų8957.8 Ų57.892%0.91831%0.314SS*.THydrogen-bonded Turntrans79.22.3-178.700000116V52V52-G54 PolarHBondContact O-N 3.07Å; V52-G54 VanDerWaalsContact O-N 3.16Å
55K82.2Confident81.5Confident101 Ų10156.8 Ų56.844%0.43931%0.309SS..SBendtrans-113.3159.1171.5-60.9-169.2-172.31770111.8E34 V52 D53E34-K55 IonicContact OE1-NZ 3.8Å; E34-K55 PolarHBondContact OE1-NZ 3.46Å; V52-K55 HydrophobicContact CB-CB 4.2Å; V52-K55 HydrophobicContact CB-CD 4.18Å; V52-K55 HydrophobicContact CB-CG 4.29Å; V52-K55 HydrophobicContact CG1-CD 4.4Å; V52-K55 PolarHBondContact O-N 3.4Å; D53-K55 VanDerWaalsContact C-N 3.32Å; D53-K55 PolarHBondContact O-N 2.99Å
56E77.3Confident81.9Confident159 Ų15958 Ų5874%0.74332%0.316SS*.PPolyproline II helixtrans-63.5149.1168.6-70-173.7173.600111.1
57A79.7Confident82.4Confident58 Ų5856.5 Ų56.548%0.47931%0.311SS..PPolyproline II helixtrans-66.4134.9175.700000110.3W50 Q51W50-A57 CarbonylContact O-C 3.48Å; W50-A57 VanDerWaalsContact O-CA 3.32Å; W50-A57 WeakPolarHBondContact O-CA 3.34Å; Q51-A57 HydrophobicContact CB-CB 4.32Å
58Q83.9Confident82.9Confident69 Ų6956.1 Ų56.132%0.32231%0.311SS..EExtended strand (participates in β ladder)trans-97.9151.6173.3-66.1-177.713.900109.5Y49 W50Y49-Q58 CarbonylContact C-O 3.59Å; Y49-Q58 WeakPolarHBondContact CA-O 3.46Å; Y49-Q58 VanDerWaalsContact CB-O 3.31Å; Y49-Q58 WeakPolarHBondContact CB-O 3.45Å; W50-Q58 HydrophobicContact CD2-CB 3.95Å; W50-Q58 VanDerWaalsContact CE2-CB 3.45Å; W50-Q58 HydrophobicContact CE3-CB 4.43Å; W50-Q58 HydrophobicContact CH2-CB 4.02Å; W50-Q58 HydrophobicContact CZ2-CB 3.5Å; W50-Q58 VanDerWaalsContact CZ2-CB 3.5Å; W50-Q58 HydrophobicContact CZ2-CG 4.32Å; W50-Q58 HydrophobicContact CZ3-CB 4.45Å; W50-Q58 PolarHBondContact N-O 3.31Å; W50-Q58 PolarHBondContact O-N 2.96Å
59T80.8Confident83Confident84 Ų8457.5 Ų57.552%0.51532%0.315SS..EExtended strand (participates in β ladder)trans-132.8143.1-178.755.50000109.5L48L48-T59 CarbonylContact O-C 3.47Å; L48-T59 WeakPolarHBondContact O-CA 3.44Å
60L81Confident83Confident33 Ų3358.3 Ų58.317%0.17332%0.323CS..EExtended strand (participates in β ladder)trans-131.6126.7173177.764.5000107.9Y47 L48 W50 L62 I65 L118Y47-L60 WeakPolarHBondContact CA-O 3.33Å; L48-L60 PolarHBondContact N-O 3.47Å; L48-L60 PolarHBondContact O-N 3.08Å; W50-L60 HydrophobicContact CH2-CB 4.22Å; W50-L60 HydrophobicContact CZ3-CB 3.85Å; L60-L62 PolarHBondContact O-N 2.99Å; L60-I65 HydrophobicContact CD2-CD1 3.93Å; L60-I65 HydrophobicContact CD2-CG1 3.77Å; L60-I65 HydrophobicContact CG-CD1 4.5Å; L60-I65 HydrophobicContact CG-CG1 4.33Å; L60-L118 HydrophobicContact CD2-CD2 3.51Å
61D80.3Confident82.8Confident23 Ų2357.8 Ų57.812%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-70.6125.8174.7-159.6-36.1000109.2Y47 I63 H64Y47-D61 HydrophobicContact CD1-CB 4.18Å; Y47-D61 HydrophobicContact CE1-CB 4.03Å; D61-I63 HydrophobicContact CB-CG1 4.17Å; D61-I63 PolarHBondContact O-N 2.95Å; D61-I63 VanDerWaalsContact OD1-CG1 3.32Å; D61-I63 WeakPolarHBondContact OD1-CG1 3.43Å; D61-I63 WeakPolarHBondContact OD1-CG2 3.32Å; D61-I63 PolarHBondContact OD1-N 3.37Å; D61-H64 PolarHBondContact O-N 3.26Å; D61-H64 VanDerWaalsContact O-N 3.08Å
62L80.9Confident82.1Confident14 Ų1455.1 Ų55.17%0.07332%0.324CS..G310 helixtrans-63.2-23.4-177.2-70.7178.9000111.7V41 G45 F46 L48 L60 H64 I65 V148 L149V41-L62 HydrophobicContact CG1-CD1 3.97Å; G45-L62 WeakPolarHBondContact O-CD1 3.26Å; F46-L62 WeakPolarHBondContact O-CB 3.14Å; F46-L62 PolarHBondContact O-N 3.44Å; L48-L62 HydrophobicContact CB-CD2 3.81Å; L60-L62 PolarHBondContact O-N 2.99Å; L62-H64 PolarHBondContact O-N 3.46Å; L62-I65 HydrophobicContact CD2-CD1 3.45Å; L62-I65 VanDerWaalsContact CD2-CD1 3.45Å; L62-I65 PolarHBondContact O-N 3.25Å; L62-I65 VanDerWaalsContact O-N 3.13Å; L62-V148 WeakPolarHBondContact O-CG1 3.49Å; L62-L149 HydrophobicContact CD1-CD1 3.83Å
63I78.5Confident81.3Confident43 Ų4354.6 Ų54.622%0.22132%0.32CS..G310 helixtrans-64.6-21.9176.474.7-172.4000113.1D61 P806D61-I63 HydrophobicContact CB-CG1 4.17Å; D61-I63 PolarHBondContact O-N 2.95Å; D61-I63 VanDerWaalsContact OD1-CG1 3.32Å; D61-I63 WeakPolarHBondContact OD1-CG1 3.43Å; D61-I63 WeakPolarHBondContact OD1-CG2 3.32Å; D61-I63 PolarHBondContact OD1-N 3.37Å; I63-P806 WeakPolarHBondContact CD1-O 3.29Å
64H82.6Confident80.5Confident58 Ų5849.3 Ų49.327%0.26929%0.294SS..G310 helixtrans-90-8.5178.4-63.1134.3000112.6D61 L62 S120 G121D61-H64 PolarHBondContact O-N 3.26Å; D61-H64 VanDerWaalsContact O-N 3.08Å; L62-H64 PolarHBondContact O-N 3.46Å; H64-S120 CarbonylContact O-C 3.47Å; H64-S120 WeakPolarHBondContact O-CA 3.3Å; H64-S120 WeakPolarHBondContact O-CB 3.49Å; H64-G121 PolarHBondContact O-N 2.95Å
65I85.7Confident79.3Confident8 Ų851.4 Ų51.44%0.04128%0.278CS..EExtended strand (participates in β ladder)trans-78.9128.8172.9-61.1168000106.4L48 L60 L62 I68 L118 V119 V148L48-I65 HydrophobicContact CD2-CD1 4.5Å; L60-I65 HydrophobicContact CD2-CD1 3.93Å; L60-I65 HydrophobicContact CD2-CG1 3.77Å; L60-I65 HydrophobicContact CG-CD1 4.5Å; L60-I65 HydrophobicContact CG-CG1 4.33Å; L62-I65 HydrophobicContact CD2-CD1 3.45Å; L62-I65 VanDerWaalsContact CD2-CD1 3.45Å; L62-I65 PolarHBondContact O-N 3.25Å; L62-I65 VanDerWaalsContact O-N 3.13Å; I65-I68 HydrophobicContact CG2-CD1 4.27Å; I65-I68 HydrophobicContact CG2-CG1 3.79Å; I65-L118 HydrophobicContact CD1-CD1 4.06Å; I65-L118 HydrophobicContact CD1-CD2 4.31Å; I65-L118 HydrophobicContact CD1-CG 4.43Å; I65-L118 HydrophobicContact CG1-CD2 4.41Å; I65-L118 HydrophobicContact CG1-CG 4.48Å; I65-L118 HydrophobicContact CG2-CD1 4.34Å; I65-L118 HydrophobicContact CG2-CG 4.48Å; I65-V119 WeakPolarHBondContact CA-O 3.35Å; I65-V119 WeakPolarHBondContact CG2-O 3.31Å; I65-V148 HydrophobicContact CB-CG1 3.71Å; I65-V148 HydrophobicContact CB-CG2 4.43Å; I65-V148 HydrophobicContact CG2-CB 4.42Å; I65-V148 HydrophobicContact CG2-CG1 3.85Å; I65-V148 HydrophobicContact CG2-CG2 3.66Å; I65-V148 WeakPolarHBondContact O-CG1 3.36Å
66S85.1Confident77.4Confident26 Ų2648.8 Ų48.818%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-101.4-26.6174.558.90000112.2V119 Q342S66-V119 PolarHBondContact N-O 3.13Å; S66-Q342 PolarHBondContact OG-NE2 2.88Å; S66-Q342 PolarHBondContact OG-OE1 2.75Å
67D86.8Confident75.2Confident18 Ų1846.4 Ų46.410%0.09627%0.27CS..EExtended strand (participates in β ladder)trans-155.5149.5-177-157.3-0.6000112.3R69 V119 L345D67-R69 IonicContact OD2-CZ 3.48Å; D67-R69 VanDerWaalsContact OD2-CZ 3.25Å; D67-R69 IonicContact OD2-NE 3.95Å; D67-R69 PolarHBondContact OD2-NE 2.89Å; D67-R69 IonicContact OD2-NH2 3.33Å; D67-R69 PolarHBondContact OD2-NH2 3.28Å; D67-V119 HydrophobicContact CB-CB 4.08Å; D67-V119 HydrophobicContact CB-CG2 4.17Å; D67-V119 PolarHBondContact N-O 3.09Å; D67-V119 PolarHBondContact O-N 3.44Å; D67-L345 HydrophobicContact CB-CD1 3.78Å
68I88.1Confident72.9Confident28 Ų2848.3 Ų48.314%0.14428%0.28CS..EExtended strand (participates in β ladder)trans-132.8111.9171.3-53.3-178.6000107.8I65 L116 T117 L118 V148I65-I68 HydrophobicContact CG2-CD1 4.27Å; I65-I68 HydrophobicContact CG2-CG1 3.79Å; I68-L116 HydrophobicContact CG2-CD2 4.27Å; I68-T117 WeakPolarHBondContact CA-O 3.34Å; I68-L118 HydrophobicContact CD1-CD1 3.99Å; I68-L118 HydrophobicContact CG1-CD1 3.86Å; I68-V148 HydrophobicContact CD1-CG2 3.75Å; I68-V148 HydrophobicContact CG1-CG2 3.64Å
69R85.6Confident70.3Confident43 Ų4351.1 Ų51.116%0.16230%0.297CS..EExtended strand (participates in β ladder)trans-106.7144.1-173.8-55.2172.3-174.315612.9110.4D67 L116 T117 E338D67-R69 IonicContact OD2-CZ 3.48Å; D67-R69 VanDerWaalsContact OD2-CZ 3.25Å; D67-R69 IonicContact OD2-NE 3.95Å; D67-R69 PolarHBondContact OD2-NE 2.89Å; D67-R69 IonicContact OD2-NH2 3.33Å; D67-R69 PolarHBondContact OD2-NH2 3.28Å; R69-L116 CarbonylContact O-C 3.54Å; R69-L116 WeakPolarHBondContact O-CA 3.49Å; R69-T117 PolarHBondContact N-O 3.28Å; R69-T117 PolarHBondContact O-N 2.9Å; R69-E338 IonicContact CZ-OE1 3.18Å; R69-E338 IonicContact CZ-OE2 3.22Å; R69-E338 IonicContact NH1-OE1 2.74Å; R69-E338 IonicContact NH1-OE2 3.71Å; R69-E338 PolarHBondContact NH1-OE2 3.1Å; R69-E338 IonicContact NH2-OE1 2.84Å; R69-E338 PolarHBondContact NH2-OE1 3.43Å; R69-E338 IonicContact NH2-OE2 2.93Å; R69-E338 PolarHBondContact NH2-OE2 3.11Å
70L84.4Confident67.8Low77 Ų7753.6 Ų53.640%0.40331%0.307SS..EExtended strand (participates in β ladder)trans-81.9133.9165.5-155.398.9000108.8L116 A140 Q141 S144L70-L116 HydrophobicContact CD1-CD2 4.17Å; L70-A140 HydrophobicContact CD1-CB 4.1Å; L70-Q141 HydrophobicContact CD1-CG 4.18Å; L70-S144 WeakPolarHBondContact CD1-OG 3.28Å
71G83.3Confident65.3Low7 Ų757.6 Ų57.67%0.07233%0.333CS..  trans79.8-164-176.800000113.7D112 S115 T117G71-D112 VanDerWaalsContact CA-O 3.28Å; G71-D112 WeakPolarHBondContact CA-O 3.49Å; G71-D112 WeakPolarHBondContact CA-OD1 3.04Å; G71-D112 PolarHBondContact N-O 3.34Å; G71-S115 WeakPolarHBondContact CA-OG 3.46Å; G71-S115 PolarHBondContact N-O 3.26Å; G71-T117 PolarHBondContact O-OG1 3.5Å
72G71.2Confident62.8Low48 Ų4863.9 Ų63.950%0.49537%0.367SS..  trans89.39173.400000114.5D112 Y131G72-D112 PolarHBondContact N-OD1 3.39Å; G72-D112 VanDerWaalsContact N-OD1 3.16Å; G72-Y131 VanDerWaalsContact O-CE1 3.29Å; G72-Y131 WeakPolarHBondContact O-CE1 2.93Å
73F69.7Low60.3Low7 Ų770.5 Ų70.53%0.03140%0.4CS..PPolyproline II helixtrans-60.4134.6175.3-143.4-84.9000110.3L26 K75 L101 L111 Y131 L133L26-F73 HydrophobicContact CB-CZ 4.15Å; L26-F73 HydrophobicContact CD2-CE1 4.14Å; L26-F73 HydrophobicContact CD2-CZ 4.23Å; F73-K75 PolarHBondContact O-N 3.1Å; F73-L101 HydrophobicContact CE1-CD1 3.79Å; F73-L101 HydrophobicContact CE1-CD2 3.71Å; F73-L101 HydrophobicContact CE1-CG 4.3Å; F73-L101 HydrophobicContact CE2-CD2 4.24Å; F73-L101 HydrophobicContact CZ-CD1 3.8Å; F73-L101 HydrophobicContact CZ-CD2 3.52Å; F73-L101 HydrophobicContact CZ-CG 4.31Å; F73-L111 HydrophobicContact CB-CD2 4.44Å; F73-Y131 HydrophobicContact CD2-CG 4.44Å; F73-L133 HydrophobicContact CE2-CB 4.44Å
74P63.9Low57.8Low42 Ų4270.8 Ų70.827%0.27341%0.414SS..PPolyproline II helixtrans-57.3127.6-176.6-0.2-5000111.2L26 Q98 Y131L26-P74 HydrophobicContact CD2-CG 4.25Å; P74-Q98 PolarHBondContact O-NE2 2.73Å; P74-Y131 HydrophobicContact CG-CD2 4.06Å; P74-Y131 HydrophobicContact CG-CE1 4.44Å; P74-Y131 HydrophobicContact CG-CE2 3.8Å; P74-Y131 HydrophobicContact CG-CG 4.47Å
75K53.7Low55.1Low134 Ų13476 Ų7658%0.58344%0.443SS*.PPolyproline II helixtrans-85.1134.7-178.4-68.7174.8-179.3173.50110.2F73 C77 D112F73-K75 PolarHBondContact O-N 3.1Å; K75-C77 PolarHBondContact O-N 2.95Å; K75-D112 IonicContact NZ-OD2 2.67Å
76V43Very low52.2Low46 Ų4681.9 Ų81.928%0.27947%0.469SS..PPolyproline II helixtrans-64.1122.6169.7-177.80000108.5S78 Q98 E102V76-S78 PolarHBondContact O-N 3.41Å; V76-Q98 HydrophobicContact CG2-CB 3.72Å; V76-Q98 HydrophobicContact CG2-CG 3.59Å; V76-E102 VanDerWaalsContact CG2-OE1 3.29Å; V76-E102 WeakPolarHBondContact CG2-OE1 3.35Å
77C31.7Very low49.4Very low108 Ų10883.7 Ų83.773%0.7348%0.482SS*.  trans-66107.7172.8-1410000107.9K75 D79K75-C77 PolarHBondContact O-N 2.95Å; C77-D79 PolarHBondContact O-N 3.13Å
78S31.3Very low46.7Very low99 Ų9992.2 Ų92.269%0.69252%0.518SS*.  trans-77.2-3.1179.5-3.70000112.6V76 N80V76-S78 PolarHBondContact O-N 3.41Å; S78-N80 PolarHBondContact O-N 3.13Å; S78-N80 VanDerWaalsContact O-N 3.17Å
79D29.7Very low44.2Very low127 Ų12799.5 Ų99.568%0.67955%0.551SS**  trans-88.685.8178.5-70.5-18.1000110.5C77 T81C77-D79 PolarHBondContact O-N 3.13Å; D79-T81 PolarHBondContact O-N 3.3Å
80N28.1Very low41.7Very low137 Ų137100.5 Ų100.573%0.73357%0.565SS**THydrogen-bonded Turntrans-67.127.7175.2-121-7.8000113.9S78S78-N80 PolarHBondContact O-N 3.13Å; S78-N80 VanDerWaalsContact O-N 3.17Å
81T28.6Very low39.6Very low117 Ų117100.5 Ų100.572%0.71857%0.565SS**THydrogen-bonded Turntrans-113.81.1-173.445.50000115.3D79D79-T81 PolarHBondContact O-N 3.3Å
82N26.6Very low37.4Very low154 Ų154106.3 Ų106.382%0.82459%0.594SS**  trans-132.343175.6-86.1-36.8000114.2G84N82-G84 PolarHBondContact O-N 3.47Å
83I28.8Very low36Very low153 Ų153112.1 Ų112.179%0.78561%0.606SS**  trans-79.968.1162.4-52.9177000108.5
84G25.3Very low34.7Very low50 Ų50116.7 Ų116.752%0.51563%0.627SS.*SBendtrans-135.2113.3165.800000107.3N82N82-G84 PolarHBondContact O-N 3.47Å
85L26Very low34Very low167 Ų167118.7 Ų118.787%0.87464%0.638SS**SBendtrans90.839.3167.5-57.6131.4000119.6
86F26.1Very low33.9Very low132 Ų132119.6 Ų119.658%0.57964%0.642SS**SBendtrans-136.8144.1152.2-78.2-82.4000111.5P531F86-P531 HydrophobicContact CZ-CB 4.22Å; F86-P531 HydrophobicContact CZ-CG 4.15Å
87S26.6Very low34.5Very low64 Ų64118.8 Ų118.845%0.44864%0.637SS.*  trans-50.9134.2-163.639.50000115.3E89S87-E89 VanDerWaalsContact C-N 3.3Å; S87-E89 PolarHBondContact O-N 3.33Å; S87-E89 VanDerWaalsContact O-N 3.14Å
88K29.5Very low35.6Very low196 Ų196115.3 Ų115.385%0.85261%0.611SS**THydrogen-bonded Turntrans-72.85.9-169.9-87.3-176.4172.9-1790117.4
89E34.9Very low36.7Very low181 Ų181114 Ų11485%0.84660%0.601SS**THydrogen-bonded Turntrans-119.9-22.9-175.8-75.8-178.6160.300115.6S87S87-E89 VanDerWaalsContact C-N 3.3Å; S87-E89 PolarHBondContact O-N 3.33Å; S87-E89 VanDerWaalsContact O-N 3.14Å
90S34.4Very low38.1Very low65 Ų65112 Ų11246%0.45559%0.59SS.*THydrogen-bonded Turntrans-84.9-36.8177.854.20000113.4L92 K93S90-L92 VanDerWaalsContact C-N 3.28Å; S90-L92 PolarHBondContact O-N 3.48Å; S90-K93 PolarHBondContact O-N 2.92Å
91N38.7Very low39.6Very low77 Ų77105.6 Ų105.641%0.41256%0.556SS.*Hα-helixtrans-65.7-22-174.5-82.4-3.6000115T95N91-T95 PolarHBondContact O-N 3.32Å; N91-T95 VanDerWaalsContact O-N 3.08Å; N91-T95 PolarHBondContact O-OG1 3.07Å
92L37Very low41Very low129 Ų129104.8 Ų104.868%0.67554%0.544SS*.Hα-helixtrans-72.4-26.3-179.1-100.1144.9000113.1S90 K96S90-L92 VanDerWaalsContact C-N 3.28Å; S90-L92 PolarHBondContact O-N 3.48Å; L92-K96 WeakPolarHBondContact O-CB 3.49Å
93K41.6Very low42.6Very low170 Ų170102.5 Ų102.574%0.73954%0.538SS*.Hα-helixtrans-80-44.6174.5-82.6-176.2175-178.70111.5S90 K96 V97S90-K93 PolarHBondContact O-N 2.92Å; K93-K96 PolarHBondContact O-N 3.13Å; K93-V97 WeakPolarHBondContact O-CG2 3.46Å; K93-V97 PolarHBondContact O-N 3.23Å; K93-V97 VanDerWaalsContact O-N 3.08Å
94E44.3Very low44.3Very low103 Ų10399.8 Ų99.848%0.48152%0.519SS..Hα-helixtrans-59.4-48.7176.9-78173.8163.800111.6K96 V97 Q98E94-K96 VanDerWaalsContact C-N 3.3Å; E94-K96 PolarHBondContact O-N 2.98Å; E94-V97 PolarHBondContact O-N 3.15Å; E94-Q98 WeakPolarHBondContact O-CB 3.39Å; E94-Q98 PolarHBondContact O-N 2.74Å
95T48.6Very low46Very low83 Ų8398 Ų9851%0.50950%0.499SS..Hα-helixtrans-63.3-31.3178.537.30000113.9N91 C99N91-T95 PolarHBondContact O-N 3.32Å; N91-T95 VanDerWaalsContact O-N 3.08Å; N91-T95 PolarHBondContact O-OG1 3.07Å; T95-C99 VanDerWaalsContact O-CB 3.27Å; T95-C99 WeakPolarHBondContact O-CB 3.43Å; T95-C99 PolarHBondContact O-N 2.89Å; T95-C99 VanDerWaalsContact O-N 3.12Å
96K50.8Low47.7Very low153 Ų15394.8 Ų94.867%0.66550%0.496SS*.Hα-helixtrans-76-42.1179.3-156.9177.9-174.6-175.40112.2L92 K93 E94 Q98 C99 D100L92-K96 WeakPolarHBondContact O-CB 3.49Å; K93-K96 PolarHBondContact O-N 3.13Å; E94-K96 VanDerWaalsContact C-N 3.3Å; E94-K96 PolarHBondContact O-N 2.98Å; K96-Q98 VanDerWaalsContact C-N 3.35Å; K96-C99 PolarHBondContact O-N 3.42Å; K96-D100 PolarHBondContact O-N 2.91Å; K96-D100 VanDerWaalsContact O-N 3.09Å
97V55.3Low49.9Very low29 Ų2991.1 Ų91.118%0.17649%0.487CS..Hα-helixtrans-61.4-44.3174.2166.80000110.8L26 F33 K93 E94 D100 L101L26-V97 HydrophobicContact CD1-CG1 4.24Å; F33-V97 HydrophobicContact CB-CB 4.27Å; F33-V97 HydrophobicContact CB-CG1 3.55Å; F33-V97 HydrophobicContact CB-CG2 3.66Å; F33-V97 HydrophobicContact CD1-CG1 4.1Å; F33-V97 HydrophobicContact CD1-CG2 4.31Å; F33-V97 HydrophobicContact CD2-CG1 3.63Å; F33-V97 HydrophobicContact CE2-CG1 4.35Å; F33-V97 HydrophobicContact CG-CB 4.41Å; F33-V97 HydrophobicContact CG-CG1 3.48Å; F33-V97 VanDerWaalsContact CG-CG1 3.48Å; F33-V97 HydrophobicContact CG-CG2 4.13Å; K93-V97 WeakPolarHBondContact O-CG2 3.46Å; K93-V97 PolarHBondContact O-N 3.23Å; K93-V97 VanDerWaalsContact O-N 3.08Å; E94-V97 PolarHBondContact O-N 3.15Å; V97-D100 PolarHBondContact O-N 2.97Å; V97-L101 HydrophobicContact CG1-CD1 3.86Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 WeakPolarHBondContact O-CD1 3.36Å; V97-L101 PolarHBondContact O-N 3.14Å; V97-L101 VanDerWaalsContact O-N 3.12Å
98Q55.8Low51.9Low36 Ų3694 Ų9417%0.16849%0.491CS..Hα-helixtrans-69.1-35.6-179.2-124.1152.6-26.500113.1P74 V76 E94 K96 L101 E102P74-Q98 PolarHBondContact O-NE2 2.73Å; V76-Q98 HydrophobicContact CG2-CB 3.72Å; V76-Q98 HydrophobicContact CG2-CG 3.59Å; E94-Q98 WeakPolarHBondContact O-CB 3.39Å; E94-Q98 PolarHBondContact O-N 2.74Å; K96-Q98 VanDerWaalsContact C-N 3.35Å; Q98-L101 WeakPolarHBondContact O-CB 3.44Å; Q98-L101 PolarHBondContact O-N 3.37Å; Q98-E102 PolarHBondContact O-N 3.38Å
99C54.6Low54.1Low71 Ų7191.9 Ų91.948%0.4848%0.484SS..Hα-helixtrans-68.3-40.9175.5-155.90000112.1T95 K96 L101 E102 C103T95-C99 VanDerWaalsContact O-CB 3.27Å; T95-C99 WeakPolarHBondContact O-CB 3.43Å; T95-C99 PolarHBondContact O-N 2.89Å; T95-C99 VanDerWaalsContact O-N 3.12Å; K96-C99 PolarHBondContact O-N 3.42Å; C99-L101 PolarHBondContact O-N 2.92Å; C99-E102 PolarHBondContact O-N 2.93Å; C99-C103 PolarHBondContact O-N 2.96Å; C99-C103 VanDerWaalsContact O-N 3.13Å; C99-C103 PolarHBondContact O-SG 3.36Å
100D58.8Low56.2Low86 Ų8686.1 Ų86.146%0.4646%0.458SS..Hα-helixtrans-62.5-32.1173.4-87.8-5.1000112.2K96 V97 R104K96-D100 PolarHBondContact O-N 2.91Å; K96-D100 VanDerWaalsContact O-N 3.09Å; V97-D100 PolarHBondContact O-N 2.97Å; D100-R104 WeakPolarHBondContact O-CG 3.49Å
101L59.7Low58.3Low2 Ų284.2 Ų84.21%0.0144%0.442CS..Hα-helixtrans-74.1-42.8176.9-101.9140000112.7F33 F73 V97 Q98 C99 C103 R104 L133F33-L101 HydrophobicContact CD2-CD1 3.92Å; F33-L101 HydrophobicContact CE2-CD1 3.41Å; F33-L101 VanDerWaalsContact CE2-CD1 3.41Å; F33-L101 HydrophobicContact CE2-CG 4.04Å; F33-L101 HydrophobicContact CZ-CD1 3.99Å; F33-L101 HydrophobicContact CZ-CG 4.26Å; F73-L101 HydrophobicContact CE1-CD1 3.79Å; F73-L101 HydrophobicContact CE1-CD2 3.71Å; F73-L101 HydrophobicContact CE1-CG 4.3Å; F73-L101 HydrophobicContact CE2-CD2 4.24Å; F73-L101 HydrophobicContact CZ-CD1 3.8Å; F73-L101 HydrophobicContact CZ-CD2 3.52Å; F73-L101 HydrophobicContact CZ-CG 4.31Å; V97-L101 HydrophobicContact CG1-CD1 3.86Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 WeakPolarHBondContact O-CD1 3.36Å; V97-L101 PolarHBondContact O-N 3.14Å; V97-L101 VanDerWaalsContact O-N 3.12Å; Q98-L101 WeakPolarHBondContact O-CB 3.44Å; Q98-L101 PolarHBondContact O-N 3.37Å; C99-L101 PolarHBondContact O-N 2.92Å; L101-C103 PolarHBondContact O-N 3.2Å; L101-R104 WeakPolarHBondContact O-CB 3.32Å; L101-R104 PolarHBondContact O-N 3.13Å; L101-L133 HydrophobicContact CD2-CB 4.24Å; L101-L133 HydrophobicContact CD2-CD2 3.79Å; L101-L133 HydrophobicContact CD2-CG 4.49Å
102E57.5Low60.3Low99 Ų9983.1 Ų83.146%0.46344%0.436SS..Hα-helixtrans-62.5-30.4173.6-75.4-177.316700111.9V76 Q98 C99 R104V76-E102 VanDerWaalsContact CG2-OE1 3.29Å; V76-E102 WeakPolarHBondContact CG2-OE1 3.35Å; Q98-E102 PolarHBondContact O-N 3.38Å; C99-E102 PolarHBondContact O-N 2.93Å; E102-R104 PolarHBondContact O-N 3.43Å
103C59.5Low62.6Low106 Ų10680 Ų8072%0.71642%0.418SS*.THydrogen-bonded Turntrans-70-14174-660000113.7C99 L101C99-C103 PolarHBondContact O-N 2.96Å; C99-C103 VanDerWaalsContact O-N 3.13Å; C99-C103 PolarHBondContact O-SG 3.36Å; L101-C103 PolarHBondContact O-N 3.2Å
104R65.9Low64.8Low97 Ų9773.2 Ų73.237%0.36639%0.388SS..THydrogen-bonded Turntrans-96.2-4.4-178.4-70.5178.1-177.2-171.51.9114.3D24 D100 L101 E102 R114 L133D24-R104 IonicContact OD1-NH1 3.81Å; D24-R104 PolarHBondContact OD1-NH1 3.28Å; D24-R104 IonicContact OD2-CZ 2.79Å; D24-R104 IonicContact OD2-NH1 2.93Å; D24-R104 PolarHBondContact OD2-NH1 3.46Å; D100-R104 WeakPolarHBondContact O-CG 3.49Å; L101-R104 WeakPolarHBondContact O-CB 3.32Å; L101-R104 PolarHBondContact O-N 3.13Å; E102-R104 PolarHBondContact O-N 3.43Å; R104-R114 PolarHBondContact O-NH1 2.92Å; R104-L133 HydrophobicContact CB-CD2 4.46Å
105A60.9Low66.8Low13 Ų1368.3 Ų68.311%0.10737%0.365CS..SBendtrans-126.4135.6173.700000109.8S107 L111A105-S107 PolarHBondContact O-N 3.16Å; A105-L111 HydrophobicContact CB-CB 3.92Å; A105-L111 HydrophobicContact CB-CD1 3.69Å; A105-L111 HydrophobicContact CB-CG 4.44Å
106A61.6Low68.7Low98 Ų9864.6 Ų64.681%0.8134%0.342SS*.SBendtrans-73-18.6-17700000112.6E110A106-E110 VanDerWaalsContact CB-OE2 3.3Å; A106-E110 WeakPolarHBondContact CB-OE2 3.5Å; A106-E110 PolarHBondContact N-OE2 3.19Å
107S71.5Confident70.6Confident55 Ų5557.6 Ų57.639%0.38531%0.312SS..SBendtrans-150.9164.6177.670.20000112A105 E109 E110 L111A105-S107 PolarHBondContact O-N 3.16Å; S107-E109 VanDerWaalsContact C-N 3.33Å; S107-E109 PolarHBondContact O-N 2.88Å; S107-E110 PolarHBondContact O-N 2.94Å; S107-E110 WeakPolarHBondContact OG-CB 3.42Å; S107-E110 PolarHBondContact OG-N 3.34Å; S107-L111 PolarHBondContact O-N 3.19Å; S107-L111 VanDerWaalsContact O-N 3.15Å
108K69.6Low72.2Confident124 Ų12456.7 Ų56.754%0.53931%0.306SS..Hα-helixtrans-66.1-34.4177.9-161.5172.8-171.9169.60112.8L111 D112K108-L111 PolarHBondContact O-N 3.23Å; K108-D112 PolarHBondContact O-N 3.29Å
109E75.4Confident73.9Confident152 Ų15255 Ų5571%0.7130%0.298SS*.Hα-helixtrans-68.6-41.1175.8-75.5150.8167.400110.9S107 L111 D112 E113S107-E109 VanDerWaalsContact C-N 3.33Å; S107-E109 PolarHBondContact O-N 2.88Å; E109-L111 VanDerWaalsContact C-N 3.29Å; E109-L111 PolarHBondContact O-N 2.96Å; E109-D112 PolarHBondContact O-N 3.23Å; E109-E113 WeakPolarHBondContact O-CG 3.49Å; E109-E113 PolarHBondContact O-N 2.97Å
110E78.5Confident75.5Confident61 Ų6152.2 Ų52.229%0.28528%0.28SS..Hα-helixtrans-62.6-37.7175.6-162.3-158.9148.100111.9A106 S107 E113 R114A106-E110 VanDerWaalsContact CB-OE2 3.3Å; A106-E110 WeakPolarHBondContact CB-OE2 3.5Å; A106-E110 PolarHBondContact N-OE2 3.19Å; S107-E110 PolarHBondContact O-N 2.94Å; S107-E110 WeakPolarHBondContact OG-CB 3.42Å; S107-E110 PolarHBondContact OG-N 3.34Å; E110-E113 PolarHBondContact O-N 3.38Å; E110-R114 WeakPolarHBondContact O-CB 3.36Å; E110-R114 VanDerWaalsContact O-CG 3.28Å; E110-R114 WeakPolarHBondContact O-CG 3.47Å; E110-R114 PolarHBondContact O-N 3.27Å; E110-R114 VanDerWaalsContact O-N 3.08Å; E110-R114 WeakPolarHBondContact OE1-CD 3.29Å; E110-R114 IonicContact OE1-CZ 2.86Å; E110-R114 IonicContact OE1-NH1 2.69Å; E110-R114 PolarHBondContact OE1-NH1 2.98Å
111L80Confident76.8Confident25 Ų2548.6 Ų48.613%0.13126%0.263CS..Hα-helixtrans-62.9-46.6175.9-165.594000111.7F73 A105 S107 K108 E109 R114 S115 L133F73-L111 HydrophobicContact CB-CD2 4.44Å; A105-L111 HydrophobicContact CB-CB 3.92Å; A105-L111 HydrophobicContact CB-CD1 3.69Å; A105-L111 HydrophobicContact CB-CG 4.44Å; S107-L111 PolarHBondContact O-N 3.19Å; S107-L111 VanDerWaalsContact O-N 3.15Å; K108-L111 PolarHBondContact O-N 3.23Å; E109-L111 VanDerWaalsContact C-N 3.29Å; E109-L111 PolarHBondContact O-N 2.96Å; L111-R114 PolarHBondContact O-N 3.29Å; L111-S115 VanDerWaalsContact O-CB 3.29Å; L111-S115 WeakPolarHBondContact O-CB 3.34Å; L111-S115 PolarHBondContact O-N 3.35Å; L111-S115 PolarHBondContact O-OG 3.12Å; L111-L133 HydrophobicContact CD1-CD1 4.09Å; L111-L133 HydrophobicContact CG-CD1 4.37Å
112D80.4Confident77.7Confident53 Ų5353 Ų5328%0.28329%0.29SS..Hα-helixtrans-65.4-39.6178.6-118.1-8.9000110.9G71 G72 K75 K108 E109 R114 S115G71-D112 VanDerWaalsContact CA-O 3.28Å; G71-D112 WeakPolarHBondContact CA-O 3.49Å; G71-D112 WeakPolarHBondContact CA-OD1 3.04Å; G71-D112 PolarHBondContact N-O 3.34Å; G72-D112 PolarHBondContact N-OD1 3.39Å; G72-D112 VanDerWaalsContact N-OD1 3.16Å; K75-D112 IonicContact NZ-OD2 2.67Å; K108-D112 PolarHBondContact O-N 3.29Å; E109-D112 PolarHBondContact O-N 3.23Å; D112-R114 VanDerWaalsContact C-N 3.3Å; D112-R114 PolarHBondContact O-N 3.41Å; D112-S115 WeakPolarHBondContact CA-OG 3.25Å; D112-S115 PolarHBondContact O-N 2.93Å; D112-S115 PolarHBondContact O-OG 3.28Å; D112-S115 VanDerWaalsContact O-OG 3.06Å
113E84.8Confident79Confident64 Ų6450 Ų5030%0.29928%0.277SS..Hα-helixtrans-71.6-21.5179.2-70.8-176.9153.900114.4E109 E110 R137E109-E113 WeakPolarHBondContact O-CG 3.49Å; E109-E113 PolarHBondContact O-N 2.97Å; E110-E113 PolarHBondContact O-N 3.38Å; E113-R137 HydrophobicContact CB-CG 4.15Å; E113-R137 IonicContact OE1-CZ 3.37Å; E113-R137 IonicContact OE1-NE 3.75Å; E113-R137 IonicContact OE1-NH1 3.6Å; E113-R137 PolarHBondContact OE1-NH1 3.1Å; E113-R137 IonicContact OE1-NH2 3.73Å; E113-R137 PolarHBondContact OE1-NH2 2.82Å; E113-R137 VanDerWaalsContact OE2-CD 3.3Å; E113-R137 WeakPolarHBondContact OE2-CD 3.5Å; E113-R137 IonicContact OE2-CZ 3.93Å; E113-R137 IonicContact OE2-NE 2.77Å; E113-R137 PolarHBondContact OE2-NE 3.15Å; E113-R137 IonicContact OE2-NH1 2.76Å; E113-R137 PolarHBondContact OE2-NH1 2.74Å; E113-R137 IonicContact OE2-NH2 3.68Å
114R87.4Confident80.2Confident28 Ų2845.8 Ų45.811%0.10625%0.247CC..Hα-helixtrans-98.3-9.3177.5-71.5171.559.8-163.1-11.3113.2R104 E110 L111 D112 L133 A134 E135 R137R104-R114 PolarHBondContact O-NH1 2.92Å; E110-R114 WeakPolarHBondContact O-CB 3.36Å; E110-R114 VanDerWaalsContact O-CG 3.28Å; E110-R114 WeakPolarHBondContact O-CG 3.47Å; E110-R114 PolarHBondContact O-N 3.27Å; E110-R114 VanDerWaalsContact O-N 3.08Å; E110-R114 WeakPolarHBondContact OE1-CD 3.29Å; E110-R114 IonicContact OE1-CZ 2.86Å; E110-R114 IonicContact OE1-NH1 2.69Å; E110-R114 PolarHBondContact OE1-NH1 2.98Å; L111-R114 PolarHBondContact O-N 3.29Å; D112-R114 VanDerWaalsContact C-N 3.3Å; D112-R114 PolarHBondContact O-N 3.41Å; R114-L133 HydrophobicContact CB-CD1 3.84Å; R114-A134 PolarHBondContact NE-O 2.87Å; R114-A134 PolarHBondContact NH2-O 3.11Å; R114-A134 WeakPolarHBondContact O-CB 3.43Å; R114-A134 PolarHBondContact O-N 3.23Å; R114-E135 PolarHBondContact NE-O 2.91Å; R114-R137 HydrophobicContact CG-CB 4.27Å
115S87Confident81.4Confident0 Ų043.1 Ų43.10%024%0.242CC..EExtended strand (participates in β ladder)trans-92150.7-177.647.60000112.5G71 L111 D112 L132G71-S115 WeakPolarHBondContact CA-OG 3.46Å; G71-S115 PolarHBondContact N-O 3.26Å; L111-S115 VanDerWaalsContact O-CB 3.29Å; L111-S115 WeakPolarHBondContact O-CB 3.34Å; L111-S115 PolarHBondContact O-N 3.35Å; L111-S115 PolarHBondContact O-OG 3.12Å; D112-S115 WeakPolarHBondContact CA-OG 3.25Å; D112-S115 PolarHBondContact O-N 2.93Å; D112-S115 PolarHBondContact O-OG 3.28Å; D112-S115 VanDerWaalsContact O-OG 3.06Å; S115-L132 CarbonylContact C-O 3.5Å; S115-L132 VanDerWaalsContact CA-O 3.29Å; S115-L132 WeakPolarHBondContact CA-O 3.45Å
116L88.5Confident82.7Confident4 Ų447.6 Ų47.62%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-128.9137.4172.1-65.7163.6000109F23 I68 R69 L70 Y131 L132 A140 C143F23-L116 HydrophobicContact CE1-CD1 3.88Å; I68-L116 HydrophobicContact CG2-CD2 4.27Å; R69-L116 CarbonylContact O-C 3.54Å; R69-L116 WeakPolarHBondContact O-CA 3.49Å; L70-L116 HydrophobicContact CD1-CD2 4.17Å; L116-Y131 CarbonylContact O-C 3.55Å; L116-Y131 WeakPolarHBondContact O-CA 3.46Å; L116-L132 HydrophobicContact CB-CB 4.21Å; L116-L132 PolarHBondContact N-O 3.31Å; L116-L132 PolarHBondContact O-N 3.49Å; L116-A140 HydrophobicContact CD1-CB 4.45Å; L116-A140 HydrophobicContact CD2-CB 4.37Å; L116-A140 WeakPolarHBondContact CD2-O 3.44Å; L116-A140 HydrophobicContact CG-CB 4.15Å; L116-C143 HydrophobicContact CD1-CB 3.61Å
117T89.7Confident84.1Confident7 Ų744.3 Ų44.34%0.04323%0.233CC..EExtended strand (participates in β ladder)trans-104.7114.7166.2-61.70000108.6I68 R69 G71 V119 F129 Y131I68-T117 WeakPolarHBondContact CA-O 3.34Å; R69-T117 PolarHBondContact N-O 3.28Å; R69-T117 PolarHBondContact O-N 2.9Å; G71-T117 PolarHBondContact O-OG1 3.5Å; T117-V119 HydrophobicContact CG2-CG2 4.14Å; T117-F129 HydrophobicContact CG2-CD1 3.86Å; T117-Y131 HydrophobicContact CG2-CD1 4.11Å; T117-Y131 HydrophobicContact CG2-CE1 3.9Å; T117-Y131 WeakPolarHBondContact OG1-CD1 3.39Å
118L89.7Confident85Confident10 Ų1043 Ų435%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-88124170.5-160.588.5000108.6L48 L60 I65 I68 F129 S130L48-L118 HydrophobicContact CD2-CD1 4.31Å; L48-L118 HydrophobicContact CD2-CD2 4.16Å; L60-L118 HydrophobicContact CD2-CD2 3.51Å; I65-L118 HydrophobicContact CD1-CD1 4.06Å; I65-L118 HydrophobicContact CD1-CD2 4.31Å; I65-L118 HydrophobicContact CD1-CG 4.43Å; I65-L118 HydrophobicContact CG1-CD2 4.41Å; I65-L118 HydrophobicContact CG1-CG 4.48Å; I65-L118 HydrophobicContact CG2-CD1 4.34Å; I65-L118 HydrophobicContact CG2-CG 4.48Å; I68-L118 HydrophobicContact CD1-CD1 3.99Å; I68-L118 HydrophobicContact CG1-CD1 3.86Å; L118-F129 WeakPolarHBondContact O-CA 3.29Å; L118-S130 WeakPolarHBondContact CB-O 3.33Å; L118-S130 PolarHBondContact N-O 2.96Å; L118-S130 PolarHBondContact O-N 3.45Å
119V90.6Very high86.1Confident0 Ų038.9 Ų38.90%021%0.207CC..EExtended strand (participates in β ladder)trans-110.7120.8174.2-169.80000108.4I65 S66 D67 T117 V127 F129I65-V119 WeakPolarHBondContact CA-O 3.35Å; I65-V119 WeakPolarHBondContact CG2-O 3.31Å; S66-V119 PolarHBondContact N-O 3.13Å; D67-V119 HydrophobicContact CB-CB 4.08Å; D67-V119 HydrophobicContact CB-CG2 4.17Å; D67-V119 PolarHBondContact N-O 3.09Å; D67-V119 PolarHBondContact O-N 3.44Å; T117-V119 HydrophobicContact CG2-CG2 4.14Å; V119-V127 HydrophobicContact CG1-CB 3.97Å; V119-V127 HydrophobicContact CG1-CG1 4.36Å; V119-V127 HydrophobicContact CG1-CG2 4.33Å; V119-F129 HydrophobicContact CG1-CD1 4.41Å; V119-F129 HydrophobicContact CG1-CE1 4.05Å; V119-F129 HydrophobicContact CG1-CZ 4.44Å; V119-F129 HydrophobicContact CG2-CD1 3.79Å; V119-F129 HydrophobicContact CG2-CE1 3.72Å
120S89.5Confident86.8Confident12 Ų1232 Ų328%0.08418%0.176CC..EExtended strand (participates in β ladder)trans-131.5145.5179.857.20000111.6H64 V127 S128H64-S120 CarbonylContact O-C 3.47Å; H64-S120 WeakPolarHBondContact O-CA 3.3Å; H64-S120 WeakPolarHBondContact O-CB 3.49Å; S120-V127 CarbonylContact O-C 3.58Å; S120-V127 WeakPolarHBondContact O-CA 3.41Å; S120-S128 PolarHBondContact N-O 3.22Å; S120-S128 PolarHBondContact O-N 3.4Å; S120-S128 PolarHBondContact O-OG 3.34Å; S120-S128 VanDerWaalsContact O-OG 3.13Å; S120-S128 PolarHBondContact OG-OG 3.02Å
121G84.6Confident87.3Confident10 Ų1030.2 Ų30.210%0.10317%0.166CC..EExtended strand (participates in β ladder)trans-161.3151.9-179.300000111.8H64 D123 N126H64-G121 PolarHBondContact O-N 2.95Å; G121-D123 VanDerWaalsContact C-N 3.3Å; G121-N126 WeakPolarHBondContact CA-O 3.41Å
122T79.7Confident87.7Confident95 Ų9529.5 Ų29.558%0.58316%0.162SC*.SBendtrans-84.8-13.9168.156.50000111.8I803T122-I803 WeakPolarHBondContact O-CD1 3.34Å
123D83.5Confident88.1Confident37 Ų3727 Ų2720%0.19815%0.149CC..SBendtrans-148.5175.4169.669.360.1000113.9G121 V125 N126 I803G121-D123 VanDerWaalsContact C-N 3.3Å; D123-V125 PolarHBondContact O-N 3.16Å; D123-V125 WeakPolarHBondContact OD1-CA 3.49Å; D123-V125 WeakPolarHBondContact OD1-CB 2.91Å; D123-V125 PolarHBondContact OD1-N 2.9Å; D123-N126 PolarHBondContact OD1-N 3.26Å; D123-N126 PolarHBondContact OD1-ND2 3.39Å; D123-N126 PolarHBondContact OD2-ND2 3.49Å; D123-I803 HydrophobicContact CB-CD1 3.65Å
124L86.2Confident88.2Confident16 Ų1624 Ų248%0.08414%0.136CC..SBendtrans-69.8-17.6-176.7-60.8177.7000113.5Q342 A346 F649L124-Q342 HydrophobicContact CB-CB 4.38Å; L124-Q342 HydrophobicContact CD2-CB 4.21Å; L124-A346 HydrophobicContact CD1-CB 4.37Å; L124-A346 HydrophobicContact CD2-CB 4.07Å; L124-F649 HydrophobicContact CD1-CB 4.48Å; L124-F649 HydrophobicContact CD1-CD1 3.88Å
125V90.9Very high88.1Confident42 Ų4227.9 Ų27.926%0.25516%0.155SC..SBendtrans-99.9-46.7-175.5171.20000111D123 V127 V327 M339 Q650D123-V125 PolarHBondContact O-N 3.16Å; D123-V125 WeakPolarHBondContact OD1-CA 3.49Å; D123-V125 WeakPolarHBondContact OD1-CB 2.91Å; D123-V125 PolarHBondContact OD1-N 2.9Å; V125-V127 PolarHBondContact O-N 2.91Å; V125-V327 HydrophobicContact CG1-CB 3.97Å; V125-V327 WeakPolarHBondContact CG1-O 3.49Å; V125-M339 HydrophobicContact CG2-CE 3.98Å; V125-M339 HydrophobicContact CG2-SD 4.33Å; V125-Q650 HydrophobicContact CG2-CB 3.8Å
126N88.8Confident88Confident106 Ų10633.8 Ų33.857%0.56718%0.18SC*.SBendtrans-93.775.1-176.8-59.7-55.4000109.9G121 D123G121-N126 WeakPolarHBondContact CA-O 3.41Å; D123-N126 PolarHBondContact OD1-N 3.26Å; D123-N126 PolarHBondContact OD1-ND2 3.39Å; D123-N126 PolarHBondContact OD2-ND2 3.49Å
127V90.5Very high87.8Confident29 Ų2939.1 Ų39.118%0.17620%0.2CC..EExtended strand (participates in β ladder)trans-102.4144.5174.5-62.80000111.1V119 S120 V125 F129 E338 Q342V119-V127 HydrophobicContact CG1-CB 3.97Å; V119-V127 HydrophobicContact CG1-CG1 4.36Å; V119-V127 HydrophobicContact CG1-CG2 4.33Å; S120-V127 CarbonylContact O-C 3.58Å; S120-V127 WeakPolarHBondContact O-CA 3.41Å; V125-V127 PolarHBondContact O-N 2.91Å; V127-F129 HydrophobicContact CG2-CE2 4.08Å; V127-F129 HydrophobicContact CG2-CZ 4.14Å; V127-E338 HydrophobicContact CG2-CG 4.09Å; V127-Q342 HydrophobicContact CG1-CG 4.24Å
128S90.9Very high87.6Confident28 Ų2841.6 Ų41.620%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-112.9152.5173.863.50000110.7D29 S120D29-S128 WeakPolarHBondContact OD2-CB 3.4Å; S120-S128 PolarHBondContact N-O 3.22Å; S120-S128 PolarHBondContact O-N 3.4Å; S120-S128 PolarHBondContact O-OG 3.34Å; S120-S128 VanDerWaalsContact O-OG 3.13Å; S120-S128 PolarHBondContact OG-OG 3.02Å
129F91.2Very high87.3Confident38 Ų3842.2 Ų42.217%0.16722%0.221CC..EExtended strand (participates in β ladder)trans-116.3130.8-179.3-60.2-94.6000110.5E28 T117 L118 V119 V127 Y131 E338E28-F129 HydrophobicContact CB-CB 4.04Å; E28-F129 WeakPolarHBondContact CB-O 3.5Å; E28-F129 PolarHBondContact N-O 3.49Å; E28-F129 WeakPolarHBondContact OE2-CB 3.5Å; E28-F129 WeakPolarHBondContact OE2-CD2 3.34Å; E28-F129 WeakPolarHBondContact OE2-CG 3.38Å; T117-F129 HydrophobicContact CG2-CD1 3.86Å; L118-F129 WeakPolarHBondContact O-CA 3.29Å; V119-F129 HydrophobicContact CG1-CD1 4.41Å; V119-F129 HydrophobicContact CG1-CE1 4.05Å; V119-F129 HydrophobicContact CG1-CZ 4.44Å; V119-F129 HydrophobicContact CG2-CD1 3.79Å; V119-F129 HydrophobicContact CG2-CE1 3.72Å; V127-F129 HydrophobicContact CG2-CE2 4.08Å; V127-F129 HydrophobicContact CG2-CZ 4.14Å; F129-Y131 HydrophobicContact CB-CE2 4.36Å; F129-E338 HydrophobicContact CZ-CG 3.99Å
130S89.6Confident86.9Confident8 Ų842.2 Ų42.26%0.05622%0.221CC..EExtended strand (participates in β ladder)trans-122.2122.7169.4-85.60000109.1D27 L118D27-S130 PolarHBondContact OD2-OG 3.41Å; L118-S130 WeakPolarHBondContact CB-O 3.33Å; L118-S130 PolarHBondContact N-O 2.96Å; L118-S130 PolarHBondContact O-N 3.45Å
131Y89.8Confident86.6Confident22 Ų2245 Ų459%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-96.7126.1178.6-52.9-81.1000109.8R25 L26 E28 G72 F73 P74 L116 T117 F129R25-Y131 CarbonylContact C-O 3.59Å; R25-Y131 WeakPolarHBondContact CA-O 3.35Å; L26-Y131 HydrophobicContact CD2-CD2 4.23Å; L26-Y131 HydrophobicContact CG-CD2 4.32Å; L26-Y131 PolarHBondContact N-O 2.91Å; L26-Y131 PolarHBondContact O-N 3.09Å; E28-Y131 HydrophobicContact CB-CE2 3.89Å; E28-Y131 HydrophobicContact CG-CE2 4.16Å; E28-Y131 PolarHBondContact OE1-OH 3.35Å; G72-Y131 VanDerWaalsContact O-CE1 3.29Å; G72-Y131 WeakPolarHBondContact O-CE1 2.93Å; F73-Y131 HydrophobicContact CD2-CG 4.44Å; P74-Y131 HydrophobicContact CG-CD2 4.06Å; P74-Y131 HydrophobicContact CG-CE1 4.44Å; P74-Y131 HydrophobicContact CG-CE2 3.8Å; P74-Y131 HydrophobicContact CG-CG 4.47Å; L116-Y131 CarbonylContact O-C 3.55Å; L116-Y131 WeakPolarHBondContact O-CA 3.46Å; T117-Y131 HydrophobicContact CG2-CD1 4.11Å; T117-Y131 HydrophobicContact CG2-CE1 3.9Å; T117-Y131 WeakPolarHBondContact OG1-CD1 3.39Å; F129-Y131 HydrophobicContact CB-CE2 4.36Å
132L88.5Confident86.5Confident10 Ų1047.3 Ų47.35%0.05225%0.245CC..EExtended strand (participates in β ladder)trans-115.2131.9-180-50.2175.8000109.7F23 D24 R25 F39 S115 L116F23-L132 HydrophobicContact CB-CB 4.3Å; F23-L132 HydrophobicContact CD1-CB 4.01Å; F23-L132 HydrophobicContact CG-CB 4.42Å; D24-L132 CarbonylContact O-C 3.58Å; D24-L132 VanDerWaalsContact O-CA 3.27Å; D24-L132 WeakPolarHBondContact O-CA 3.36Å; R25-L132 HydrophobicContact CB-CD2 3.74Å; R25-L132 HydrophobicContact CG-CD2 3.77Å; F39-L132 HydrophobicContact CE1-CD1 4.33Å; F39-L132 HydrophobicContact CE1-CD2 4.26Å; F39-L132 HydrophobicContact CE2-CD2 3.8Å; F39-L132 HydrophobicContact CZ-CD1 4.26Å; F39-L132 HydrophobicContact CZ-CD2 3.46Å; F39-L132 VanDerWaalsContact CZ-CD2 3.46Å; S115-L132 CarbonylContact C-O 3.5Å; S115-L132 VanDerWaalsContact CA-O 3.29Å; S115-L132 WeakPolarHBondContact CA-O 3.45Å; L116-L132 HydrophobicContact CB-CB 4.21Å; L116-L132 PolarHBondContact N-O 3.31Å; L116-L132 PolarHBondContact O-N 3.49Å
133L88.3Confident86.4Confident2 Ų243.2 Ų43.21%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-108.2117.3171.4-174.877.6000110F23 D24 F73 L101 R104 L111 R114F23-L133 CarbonylContact C-O 3.59Å; F23-L133 VanDerWaalsContact CA-O 3.26Å; F23-L133 WeakPolarHBondContact CA-O 3.5Å; D24-L133 HydrophobicContact CB-CB 4.23Å; D24-L133 PolarHBondContact N-O 2.92Å; D24-L133 PolarHBondContact O-N 3.07Å; F73-L133 HydrophobicContact CE2-CB 4.44Å; L101-L133 HydrophobicContact CD2-CB 4.24Å; L101-L133 HydrophobicContact CD2-CD2 3.79Å; L101-L133 HydrophobicContact CD2-CG 4.49Å; R104-L133 HydrophobicContact CB-CD2 4.46Å; L111-L133 HydrophobicContact CD1-CD1 4.09Å; L111-L133 HydrophobicContact CG-CD1 4.37Å; R114-L133 HydrophobicContact CB-CD1 3.84Å
134A87.4Confident86Confident1 Ų143 Ų431%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-76.8151.4176.600000112.2F23 R114 K136 D139 A140F23-A134 HydrophobicContact CD1-CB 3.88Å; F23-A134 HydrophobicContact CE1-CB 3.56Å; F23-A134 HydrophobicContact CZ-CB 4.49Å; R114-A134 PolarHBondContact NE-O 2.87Å; R114-A134 PolarHBondContact NH2-O 3.11Å; R114-A134 WeakPolarHBondContact O-CB 3.43Å; R114-A134 PolarHBondContact O-N 3.23Å; A134-K136 VanDerWaalsContact C-N 3.31Å; A134-K136 WeakPolarHBondContact CB-O 3.4Å; A134-D139 HydrophobicContact CB-CB 4.31Å; A134-A140 HydrophobicContact CB-CB 3.97Å
135E85.1Confident85.3Confident109 Ų10950.1 Ų50.151%0.50925%0.252SS..SBendtrans-64.6-36.8169.3-72.7-168.515900112.2R114R114-E135 PolarHBondContact NE-O 2.91Å
136K84.4Confident84.1Confident123 Ų12349.8 Ų49.854%0.53525%0.249SC..SBendtrans-124.7144.8-178.7-58.7172.6-173.8165.70111.1A134 S138 D139 A140A134-K136 VanDerWaalsContact C-N 3.31Å; A134-K136 WeakPolarHBondContact CB-O 3.4Å; K136-S138 VanDerWaalsContact C-N 3.27Å; K136-S138 PolarHBondContact O-N 2.93Å; K136-D139 HydrophobicContact CB-CB 4.43Å; K136-D139 WeakPolarHBondContact O-CB 3.49Å; K136-D139 PolarHBondContact O-N 3.25Å; K136-D139 VanDerWaalsContact O-N 3.11Å; K136-A140 PolarHBondContact O-N 3.17Å
137R84.5Confident82.6Confident116 Ų11652.1 Ų52.144%0.43825%0.254SS..Hα-helixtrans-56.9-39.1172.3175.8-179.5175.6167.47.9112.7E113 R114 D139 A140 Q141E113-R137 HydrophobicContact CB-CG 4.15Å; E113-R137 IonicContact OE1-CZ 3.37Å; E113-R137 IonicContact OE1-NE 3.75Å; E113-R137 IonicContact OE1-NH1 3.6Å; E113-R137 PolarHBondContact OE1-NH1 3.1Å; E113-R137 IonicContact OE1-NH2 3.73Å; E113-R137 PolarHBondContact OE1-NH2 2.82Å; E113-R137 VanDerWaalsContact OE2-CD 3.3Å; E113-R137 WeakPolarHBondContact OE2-CD 3.5Å; E113-R137 IonicContact OE2-CZ 3.93Å; E113-R137 IonicContact OE2-NE 2.77Å; E113-R137 PolarHBondContact OE2-NE 3.15Å; E113-R137 IonicContact OE2-NH1 2.76Å; E113-R137 PolarHBondContact OE2-NH1 2.74Å; E113-R137 IonicContact OE2-NH2 3.68Å; R114-R137 HydrophobicContact CG-CB 4.27Å; R137-D139 PolarHBondContact O-N 3.48Å; R137-A140 PolarHBondContact O-N 3.29Å; R137-Q141 WeakPolarHBondContact O-CG 3.35Å; R137-Q141 PolarHBondContact O-N 3.15Å; R137-Q141 VanDerWaalsContact O-N 3.11Å
138S85.5Confident80.7Confident59 Ų5952.6 Ų52.641%0.41326%0.258SS..Hα-helixtrans-57.4-37177.951.10000112.1K136 Q141 V142K136-S138 VanDerWaalsContact C-N 3.27Å; K136-S138 PolarHBondContact O-N 2.93Å; S138-Q141 PolarHBondContact O-N 3.47Å; S138-V142 WeakPolarHBondContact O-CG2 3.44Å; S138-V142 PolarHBondContact O-N 3.35Å
139D84.8Confident78.3Confident23 Ų2353.4 Ų53.412%0.12326%0.259CS..Hα-helixtrans-74.6-43.4-172.3-59.3-0.4000109.3L16 A134 K136 R137 Q141 V142 C143L16-D139 HydrophobicContact CD2-CB 3.82Å; A134-D139 HydrophobicContact CB-CB 4.31Å; K136-D139 HydrophobicContact CB-CB 4.43Å; K136-D139 WeakPolarHBondContact O-CB 3.49Å; K136-D139 PolarHBondContact O-N 3.25Å; K136-D139 VanDerWaalsContact O-N 3.11Å; R137-D139 PolarHBondContact O-N 3.48Å; D139-Q141 VanDerWaalsContact C-N 3.34Å; D139-Q141 PolarHBondContact O-N 3.37Å; D139-V142 PolarHBondContact O-N 3.25Å; D139-C143 PolarHBondContact O-N 3.41Å; D139-C143 PolarHBondContact O-SG 3.19Å
140A82Confident75.9Confident0 Ų056.4 Ų56.40%027%0.274CS..Hα-helixtrans-57.6-44.4170.600000112.2L70 L116 A134 K136 R137 V142 C143 S144L70-A140 HydrophobicContact CD1-CB 4.1Å; L116-A140 HydrophobicContact CD1-CB 4.45Å; L116-A140 HydrophobicContact CD2-CB 4.37Å; L116-A140 WeakPolarHBondContact CD2-O 3.44Å; L116-A140 HydrophobicContact CG-CB 4.15Å; A134-A140 HydrophobicContact CB-CB 3.97Å; K136-A140 PolarHBondContact O-N 3.17Å; R137-A140 PolarHBondContact O-N 3.29Å; A140-V142 VanDerWaalsContact C-N 3.34Å; A140-V142 PolarHBondContact O-N 3.34Å; A140-C143 PolarHBondContact O-N 2.98Å; A140-S144 WeakPolarHBondContact O-CB 3.14Å; A140-S144 PolarHBondContact O-N 3.35Å; A140-S144 PolarHBondContact O-OG 2.97Å; A140-S144 VanDerWaalsContact O-OG 3.13Å
141Q83.3Confident73.3Confident71 Ų7159 Ų5933%0.33229%0.285SS..Hα-helixtrans-64.6-34.8178.5-73.8-178.2-12.200113.7L70 R137 S138 D139 S144 K145L70-Q141 HydrophobicContact CD1-CG 4.18Å; R137-Q141 WeakPolarHBondContact O-CG 3.35Å; R137-Q141 PolarHBondContact O-N 3.15Å; R137-Q141 VanDerWaalsContact O-N 3.11Å; S138-Q141 PolarHBondContact O-N 3.47Å; D139-Q141 VanDerWaalsContact C-N 3.34Å; D139-Q141 PolarHBondContact O-N 3.37Å; Q141-S144 PolarHBondContact O-OG 2.97Å; Q141-S144 VanDerWaalsContact O-OG 3.09Å; Q141-K145 WeakPolarHBondContact O-CG 3.42Å
142V81Confident70.7Confident58 Ų5859.8 Ų59.835%0.35229%0.293SS..Hα-helixtrans-70.2-45.9175.2171.30000110.2P14 L16 S138 D139 A140 K145P14-V142 HydrophobicContact CB-CG1 3.9Å; P14-V142 HydrophobicContact CG-CG1 4.42Å; L16-V142 HydrophobicContact CB-CG1 4.27Å; L16-V142 HydrophobicContact CD2-CB 3.97Å; L16-V142 HydrophobicContact CD2-CG1 3.99Å; S138-V142 WeakPolarHBondContact O-CG2 3.44Å; S138-V142 PolarHBondContact O-N 3.35Å; D139-V142 PolarHBondContact O-N 3.25Å; A140-V142 VanDerWaalsContact C-N 3.34Å; A140-V142 PolarHBondContact O-N 3.34Å; V142-K145 PolarHBondContact O-N 3.29Å
143C78Confident68Low9 Ų960 Ų606%0.06130%0.295CS..Hα-helixtrans-65.7-40.1-178.5-65.70000113.2L116 D139 A140 K145 V146L116-C143 HydrophobicContact CD1-CB 3.61Å; D139-C143 PolarHBondContact O-N 3.41Å; D139-C143 PolarHBondContact O-SG 3.19Å; A140-C143 PolarHBondContact O-N 2.98Å; C143-K145 PolarHBondContact O-N 2.92Å; C143-V146 VanDerWaalsContact O-CB 3.32Å; C143-V146 WeakPolarHBondContact O-CB 3.23Å; C143-V146 VanDerWaalsContact O-CG2 3.29Å; C143-V146 WeakPolarHBondContact O-CG2 3.23Å; C143-V146 PolarHBondContact O-N 3.36Å; C143-V146 VanDerWaalsContact O-N 3.13Å
144S74.4Confident65.3Low32 Ų3261.4 Ų61.422%0.22430%0.302CS..Hα-helixtrans-64.3-21.7176.358.90000114L70 A140 Q141 V146L70-S144 WeakPolarHBondContact CD1-OG 3.28Å; A140-S144 WeakPolarHBondContact O-CB 3.14Å; A140-S144 PolarHBondContact O-N 3.35Å; A140-S144 PolarHBondContact O-OG 2.97Å; A140-S144 VanDerWaalsContact O-OG 3.13Å; Q141-S144 PolarHBondContact O-OG 2.97Å; Q141-S144 VanDerWaalsContact O-OG 3.09Å; S144-V146 VanDerWaalsContact C-N 3.34Å
145K71.9Confident62.5Low167 Ų16764.3 Ų64.373%0.72632%0.317SS*.THydrogen-bonded Turntrans-87.9-4.7177.5-70.3179.1-174.7179.30113.3Q141 V142 C143 K147Q141-K145 WeakPolarHBondContact O-CG 3.42Å; V142-K145 PolarHBondContact O-N 3.29Å; C143-K145 PolarHBondContact O-N 2.92Å; K145-K147 PolarHBondContact O-N 2.88Å
146V66.6Low60Low34 Ų3460.5 Ų60.521%0.20630%0.303CS..SBendtrans-63.5106.9170.6179.90000106.2P14 L17 C143 S144 V148P14-V146 HydrophobicContact CG-CG2 3.99Å; L17-V146 HydrophobicContact CD1-CG2 3.37Å; C143-V146 VanDerWaalsContact O-CB 3.32Å; C143-V146 WeakPolarHBondContact O-CB 3.23Å; C143-V146 VanDerWaalsContact O-CG2 3.29Å; C143-V146 WeakPolarHBondContact O-CG2 3.23Å; C143-V146 PolarHBondContact O-N 3.36Å; C143-V146 VanDerWaalsContact O-N 3.13Å; S144-V146 VanDerWaalsContact C-N 3.34Å; V146-V148 PolarHBondContact O-N 2.96Å
147K56.2Low57.6Low155 Ų15556.1 Ų56.167%0.67429%0.285SS*.  trans-61.1113.8167.3-84.1-169.9169.1-164.60106.5K145 L149K145-K147 PolarHBondContact O-N 2.88Å; K147-L149 PolarHBondContact O-N 3.3Å
148V51.7Low55.2Low40 Ų4054 Ų5424%0.24228%0.282CS..  trans-57.7124.2168-169.60000106.6L62 I65 I68 V146 E150L62-V148 WeakPolarHBondContact O-CG1 3.49Å; I65-V148 HydrophobicContact CB-CG1 3.71Å; I65-V148 HydrophobicContact CB-CG2 4.43Å; I65-V148 HydrophobicContact CG2-CB 4.42Å; I65-V148 HydrophobicContact CG2-CG1 3.85Å; I65-V148 HydrophobicContact CG2-CG2 3.66Å; I65-V148 WeakPolarHBondContact O-CG1 3.36Å; I68-V148 HydrophobicContact CD1-CG2 3.75Å; I68-V148 HydrophobicContact CG1-CG2 3.64Å; V146-V148 PolarHBondContact O-N 2.96Å; V148-E150 PolarHBondContact O-N 3.43Å
149L40.8Very low52.8Low45 Ų4554 Ų5424%0.23628%0.275CS..  trans-71119.9-149.5-67.7161000112.2V11 G45 L62 K147 F151V11-L149 HydrophobicContact CB-CD2 3.18Å; V11-L149 HydrophobicContact CG1-CD2 3.44Å; V11-L149 VanDerWaalsContact CG1-CD2 3.44Å; V11-L149 HydrophobicContact CG2-CD2 3.25Å; G45-L149 WeakPolarHBondContact O-CD1 3.48Å; L62-L149 HydrophobicContact CD1-CD1 3.83Å; K147-L149 PolarHBondContact O-N 3.3Å; L149-F151 PolarHBondContact O-N 2.96Å
150E41.1Very low50.3Low100 Ų10056.9 Ų56.947%0.46729%0.287SS..  trans-74.161.8160.5-77.6-171.9135.300110V148V148-E150 PolarHBondContact O-N 3.43Å
151F34.5Very low48Very low64 Ų6461.1 Ų61.128%0.28132%0.322SS..  trans-130.4105177.9-83.2-81.9000115F7 Q8 W9 V11 L149F7-F151 HydrophobicContact CE1-CE1 4.13Å; F7-F151 AromaticContact CE2-CE1 3.7Å; F7-F151 HydrophobicContact CE2-CE1 3.7Å; F7-F151 HydrophobicContact CE2-CZ 4.36Å; F7-F151 AromaticContact CZ-CD1 3.98Å; F7-F151 HydrophobicContact CZ-CD1 3.98Å; F7-F151 AromaticContact CZ-CE1 3.4Å; F7-F151 HydrophobicContact CZ-CE1 3.4Å; F7-F151 VanDerWaalsContact CZ-CE1 3.4Å; F7-F151 HydrophobicContact CZ-CZ 4.45Å; Q8-F151 VanDerWaalsContact O-CZ 3.32Å; Q8-F151 WeakPolarHBondContact O-CZ 3.04Å; W9-F151 VanDerWaalsContact CA-CE1 3.47Å; W9-F151 HydrophobicContact CB-CD1 4.34Å; W9-F151 HydrophobicContact CB-CE1 4.32Å; W9-F151 VanDerWaalsContact O-CD1 3.26Å; W9-F151 WeakPolarHBondContact O-CD1 3.42Å; V11-F151 HydrophobicContact CG2-CD2 3.19Å; V11-F151 HydrophobicContact CG2-CE2 3.1Å; V11-F151 HydrophobicContact CG2-CG 4.23Å; V11-F151 HydrophobicContact CG2-CZ 4.08Å; L149-F151 PolarHBondContact O-N 2.96Å
152S34.9Very low45.9Very low38 Ų3859.4 Ų59.427%0.26632%0.318SS..  trans25.5118.6133.1-158.80000118.4L154S152-L154 PolarHBondContact O-N 2.98Å
153P31.5Very low44.2Very low13 Ų1357.2 Ų57.28%0.08430%0.304CS..THydrogen-bonded Turntrans-72.424178.22.79.8000115.4L155 S798 R800 P806P153-L155 PolarHBondContact O-N 3.19Å; P153-S798 PolarHBondContact O-OG 2.95Å; P153-R800 VanDerWaalsContact CG-NH2 3.27Å; P153-P806 HydrophobicContact CB-CB 3.92Å; P153-P806 HydrophobicContact CG-CB 3.84Å; P153-P806 HydrophobicContact CG-CG 4.07Å
154L31.2Very low42.4Very low33 Ų3359.8 Ų59.817%0.17332%0.32CS..THydrogen-bonded Turntrans-81.5-15.8-166.5-84.4166.6000114.7S152 A296 F300S152-L154 PolarHBondContact O-N 2.98Å; L154-A296 HydrophobicContact CD1-CB 3.83Å; L154-A296 HydrophobicContact CD2-CB 4.21Å; L154-F300 HydrophobicContact CD1-CE1 3.88Å; L154-F300 HydrophobicContact CD1-CZ 3.94Å
155L29.8Very low41.1Very low62 Ų6267.2 Ų67.233%0.32534%0.343SS..  trans-150.962.8-177.3-89.8157000112.1F46 P153 I157 E293F46-L155 WeakPolarHBondContact CZ-O 3.37Å; P153-L155 PolarHBondContact O-N 3.19Å; L155-I157 PolarHBondContact O-N 3.36Å; L155-E293 HydrophobicContact CD1-CG 3.78Å; L155-E293 WeakPolarHBondContact CD1-OE1 3.21Å
156S32.6Very low40.1Very low29 Ų2962.9 Ų62.920%0.20333%0.33CS..  trans-96.768.2174.844.30000110.9T808S156-T808 WeakPolarHBondContact OG-CA 3.49Å; S156-T808 PolarHBondContact OG-O 3.02Å
157I33.9Very low39.7Very low30 Ų3062.2 Ų62.215%0.15433%0.325CS..  trans-138.676.3172.6-55.6-176.7000107.4L155 F200 F203 F207L155-I157 PolarHBondContact O-N 3.36Å; I157-F200 HydrophobicContact CB-CE2 4.5Å; I157-F200 HydrophobicContact CG2-CE2 4.13Å; I157-F200 VanDerWaalsContact O-CE2 3.32Å; I157-F200 WeakPolarHBondContact O-CE2 3.49Å; I157-F203 HydrophobicContact CB-CE1 4.37Å; I157-F203 HydrophobicContact CG2-CD1 3.53Å; I157-F203 HydrophobicContact CG2-CE1 2.86Å; I157-F203 HydrophobicContact CG2-CZ 3.44Å; I157-F203 VanDerWaalsContact CG2-CZ 3.44Å; I157-F207 HydrophobicContact CD1-CE2 4.24Å; I157-F207 HydrophobicContact CD1-CZ 4.45Å
158N32.7Very low39.3Very low72 Ų7255.4 Ų55.439%0.38530%0.298SS..  trans-162.751.6169.4-99.5-26.2000113L44 F200L44-N158 HydrophobicContact CD1-CB 4.07Å; N158-F200 WeakPolarHBondContact OD1-CD2 3.36Å
159H36.1Very low39.1Very low58 Ų5855.7 Ų55.727%0.26930%0.301SS..  trans-125.8131169.3-108.9-121.7000114.1Y47Y47-H159 VanDerWaalsContact CB-CE1 3.5Å; Y47-H159 WeakPolarHBondContact CB-CE1 3.46Å; Y47-H159 AromaticContact CD1-CE1 3.9Å; Y47-H159 AromaticContact CD2-CD2 3.04Å; Y47-H159 WeakPolarHBondContact CD2-CD2 3.35Å; Y47-H159 AromaticContact CD2-CE1 3.11Å; Y47-H159 WeakPolarHBondContact CD2-CE1 3.4Å; Y47-H159 AromaticContact CD2-CG 3.54Å; Y47-H159 AromaticContact CD2-ND1 3.54Å; Y47-H159 AromaticContact CD2-NE2 2.84Å; Y47-H159 WeakPolarHBondContact CD2-NE2 3.4Å; Y47-H159 HydrophobicContact CE2-CB 3.94Å; Y47-H159 AromaticContact CE2-CD2 3.02Å; Y47-H159 WeakPolarHBondContact CE2-CD2 3.3Å; Y47-H159 AromaticContact CE2-CE1 3.69Å; Y47-H159 AromaticContact CE2-CG 3.24Å; Y47-H159 AromaticContact CE2-ND1 3.61Å; Y47-H159 AromaticContact CE2-NE2 3.43Å; Y47-H159 WeakPolarHBondContact CE2-NE2 3.49Å; Y47-H159 AromaticContact CG-CD2 3.96Å; Y47-H159 AromaticContact CG-CE1 3.2Å; Y47-H159 AromaticContact CG-ND1 3.72Å; Y47-H159 AromaticContact CG-NE2 3.43Å; Y47-H159 AromaticContact CZ-CD2 3.98Å; Y47-H159 AromaticContact CZ-CG 3.73Å; Y47-H159 AromaticContact CZ-ND1 3.91Å
160F31.8Very low39.8Very low84 Ų8456.1 Ų56.137%0.36832%0.317SS..  trans-107.5-14-152.8-141.1-82.3000113.1P195 F198F160-P195 HydrophobicContact CE1-CB 4.23Å; F160-P195 WeakPolarHBondContact CE1-O 3.08Å; F160-P195 WeakPolarHBondContact CZ-O 3.34Å; F160-F198 HydrophobicContact CD1-CB 4.44Å; F160-F198 AromaticContact CD1-CD1 3.74Å; F160-F198 HydrophobicContact CD1-CD1 3.74Å; F160-F198 HydrophobicContact CD1-CG 4.42Å; F160-F198 AromaticContact CD2-CD1 3.81Å; F160-F198 HydrophobicContact CD2-CD1 3.81Å; F160-F198 HydrophobicContact CD2-CE1 4.33Å; F160-F198 HydrophobicContact CE1-CB 3.41Å; F160-F198 VanDerWaalsContact CE1-CB 3.41Å; F160-F198 AromaticContact CE1-CD1 3.42Å; F160-F198 HydrophobicContact CE1-CD1 3.42Å; F160-F198 VanDerWaalsContact CE1-CD1 3.42Å; F160-F198 AromaticContact CE1-CG 3.79Å; F160-F198 HydrophobicContact CE1-CG 3.79Å; F160-F198 HydrophobicContact CE2-CB 4.33Å; F160-F198 AromaticContact CE2-CD1 3.55Å; F160-F198 HydrophobicContact CE2-CD1 3.55Å; F160-F198 HydrophobicContact CE2-CE1 4.38Å; F160-F198 HydrophobicContact CE2-CG 4.4Å; F160-F198 WeakPolarHBondContact CE2-O 3.46Å; F160-F198 AromaticContact CG-CD1 3.94Å; F160-F198 HydrophobicContact CG-CD1 3.94Å; F160-F198 HydrophobicContact CG-CE1 4.49Å; F160-F198 HydrophobicContact CZ-CB 3.37Å; F160-F198 AromaticContact CZ-CD1 3.37Å; F160-F198 HydrophobicContact CZ-CD1 3.37Å; F160-F198 AromaticContact CZ-CG 3.82Å; F160-F198 HydrophobicContact CZ-CG 3.82Å; F160-F198 WeakPolarHBondContact CZ-O 3.48Å
161A33.4Very low40.5Very low89 Ų8960.5 Ų60.574%0.73633%0.334SS*.SBendtrans-105.12.8-169.100000114.4
162S40.8Very low41.9Very low36 Ų3658.6 Ų58.625%0.25233%0.328SS..  trans-147.539.2176.6-109.60000113T164 R165 T166S162-T164 PolarHBondContact O-N 3.24Å; S162-R165 PolarHBondContact O-N 3.49Å; S162-R165 WeakPolarHBondContact OG-CB 3.34Å; S162-T166 WeakPolarHBondContact O-CA 3.47Å; S162-T166 WeakPolarHBondContact O-CB 3.45Å; S162-T166 PolarHBondContact O-N 3.34Å; S162-T166 PolarHBondContact O-OG1 3.45Å
163I44.2Very low43.6Very low11 Ų1159.8 Ų59.86%0.05633%0.329CS..Hα-helixtrans-56.9-38.3173.9-67.8149.7000109.7F167 M180 F198 F203 L206I163-F167 HydrophobicContact CB-CD2 4.23Å; I163-F167 HydrophobicContact CG1-CE2 4.47Å; I163-F167 HydrophobicContact CG2-CD2 3.69Å; I163-F167 HydrophobicContact CG2-CE2 4.12Å; I163-F167 VanDerWaalsContact O-CB 3.27Å; I163-F167 WeakPolarHBondContact O-CB 3.35Å; I163-F167 WeakPolarHBondContact O-CD2 3.18Å; I163-F167 PolarHBondContact O-N 2.96Å; I163-M180 HydrophobicContact CG2-CE 4.18Å; I163-M180 HydrophobicContact CG2-SD 4.09Å; I163-F198 HydrophobicContact CD1-CD1 3.87Å; I163-F198 HydrophobicContact CD1-CD2 4.43Å; I163-F198 HydrophobicContact CD1-CE1 3.17Å; I163-F198 HydrophobicContact CD1-CE2 3.83Å; I163-F198 HydrophobicContact CD1-CZ 3.19Å; I163-F198 HydrophobicContact CG1-CE1 4.35Å; I163-F198 HydrophobicContact CG1-CZ 4.22Å; I163-F203 HydrophobicContact CG1-CE2 4.43Å; I163-L206 HydrophobicContact CG2-CD2 3.67Å
164T40.3Very low45.6Very low64 Ų6469.2 Ų69.239%0.39336%0.363SS..Hα-helixtrans-70.4-35.8171.117.60000113.5S162 A168 M177S162-T164 PolarHBondContact O-N 3.24Å; T164-A168 HydrophobicContact CG2-CB 4Å; T164-A168 CarbonylContact O-C 3.13Å; T164-A168 WeakPolarHBondContact O-CA 3.33Å; T164-A168 WeakPolarHBondContact O-CB 3.3Å; T164-A168 PolarHBondContact O-N 2.86Å; T164-M177 HydrophobicContact CG2-SD 3.62Å
165R46.8Very low47.9Very low187 Ų18771.4 Ų71.471%0.70637%0.374SS*.Hα-helixtrans-78.1-32179-137.6-179.6-70.9-174.6-1112.8S162S162-R165 PolarHBondContact O-N 3.49Å; S162-R165 WeakPolarHBondContact OG-CB 3.34Å
166T52.4Low50.2Low76 Ų7668.5 Ų68.547%0.46636%0.358SS..Hα-helixtrans-81.3-40.5-176.9-47.60000111.5S162 L809S162-T166 WeakPolarHBondContact O-CA 3.47Å; S162-T166 WeakPolarHBondContact O-CB 3.45Å; S162-T166 PolarHBondContact O-N 3.34Å; S162-T166 PolarHBondContact O-OG1 3.45Å; T166-L809 HydrophobicContact CG2-CD1 3.64Å
167F56.6Low52.2Low20 Ų2068.1 Ų68.19%0.08835%0.354CS..Hα-helixtrans-101.1-19.7178.2-59-72.1000113.6I163 V176 F203 I210 F710 L809I163-F167 HydrophobicContact CB-CD2 4.23Å; I163-F167 HydrophobicContact CG1-CE2 4.47Å; I163-F167 HydrophobicContact CG2-CD2 3.69Å; I163-F167 HydrophobicContact CG2-CE2 4.12Å; I163-F167 VanDerWaalsContact O-CB 3.27Å; I163-F167 WeakPolarHBondContact O-CB 3.35Å; I163-F167 WeakPolarHBondContact O-CD2 3.18Å; I163-F167 PolarHBondContact O-N 2.96Å; F167-V176 HydrophobicContact CB-CB 4.43Å; F167-V176 HydrophobicContact CB-CG1 3.91Å; F167-V176 HydrophobicContact CB-CG2 3.68Å; F167-V176 WeakPolarHBondContact O-CG2 3.27Å; F167-F203 AromaticContact CE2-CE2 3.9Å; F167-F203 HydrophobicContact CE2-CE2 3.9Å; F167-F203 HydrophobicContact CE2-CZ 4.1Å; F167-F203 HydrophobicContact CZ-CE2 4.13Å; F167-F203 AromaticContact CZ-CZ 3.83Å; F167-F203 HydrophobicContact CZ-CZ 3.83Å; F167-I210 HydrophobicContact CB-CD1 4.26Å; F167-I210 HydrophobicContact CD1-CD1 4.16Å; F167-I210 HydrophobicContact CD1-CG2 4.31Å; F167-I210 HydrophobicContact CD2-CD1 4.25Å; F167-I210 HydrophobicContact CG-CD1 3.98Å; F167-F710 HydrophobicContact CD1-CD1 4.4Å; F167-F710 AromaticContact CD1-CE1 3.73Å; F167-F710 HydrophobicContact CD1-CE1 3.73Å; F167-F710 HydrophobicContact CE1-CD1 4.28Å; F167-F710 AromaticContact CE1-CE1 3.54Å; F167-F710 HydrophobicContact CE1-CE1 3.54Å; F167-F710 AromaticContact CE1-CZ 3.97Å; F167-F710 HydrophobicContact CE1-CZ 3.97Å; F167-L809 HydrophobicContact CE1-CD1 4.47Å
168A47.6Very low54.6Low13 Ų1371.7 Ų71.711%0.10737%0.37CS..  trans-117.629.9-167.100000112.9T164 G170 E173 V176T164-A168 HydrophobicContact CG2-CB 4Å; T164-A168 CarbonylContact O-C 3.13Å; T164-A168 WeakPolarHBondContact O-CA 3.33Å; T164-A168 WeakPolarHBondContact O-CB 3.3Å; T164-A168 PolarHBondContact O-N 2.86Å; A168-G170 PolarHBondContact O-N 3.32Å; A168-E173 HydrophobicContact CB-CB 3.66Å; A168-E173 HydrophobicContact CB-CG 3.53Å; A168-V176 HydrophobicContact CB-CB 4.49Å
169S49.1Very low57Low45 Ų4568.8 Ų68.832%0.31536%0.355SS..SBendtrans-69.5119158.4168.30000109.2T172 D713S169-T172 PolarHBondContact O-OG1 3.37Å; S169-D713 PolarHBondContact OG-OD2 3.26Å
170G54.3Low59.2Low55 Ų5566.4 Ų66.457%0.56734%0.344SS*.G310 helixtrans78.2-148172.100000116.2A168 T172 E173A168-G170 PolarHBondContact O-N 3.32Å; G170-T172 PolarHBondContact O-N 2.94Å; G170-E173 WeakPolarHBondContact O-CB 3.26Å; G170-E173 PolarHBondContact O-N 2.94Å
171K55.4Low61.6Low191 Ų19165.4 Ų65.483%0.8335%0.345SS*.G310 helixtrans-71-12.1-168.4-73.3-177.2179.4175.80114.7E173K171-E173 VanDerWaalsContact C-N 3.3Å
172T65.2Low64Low24 Ų2466.2 Ų66.215%0.14733%0.334CS..G310 helixtrans-77.1-14.5175.520.60000113S169 G170 R174 M175 V176S169-T172 PolarHBondContact O-OG1 3.37Å; G170-T172 PolarHBondContact O-N 2.94Å; T172-R174 VanDerWaalsContact C-N 3.32Å; T172-R174 PolarHBondContact O-N 3.15Å; T172-M175 HydrophobicContact CG2-CE 4.36Å; T172-M175 WeakPolarHBondContact O-CB 3.45Å; T172-M175 PolarHBondContact O-N 3.28Å; T172-V176 PolarHBondContact O-N 3.39Å; T172-V176 VanDerWaalsContact O-N 3.15Å
173E69.1Low66.1Low63 Ų6366.7 Ų66.729%0.29433%0.333SS..Hα-helixtrans-55-44.1-176.1-178.7-163.2-169.600113.4A168 G170 K171 M175 V176 M177 K189A168-E173 HydrophobicContact CB-CB 3.66Å; A168-E173 HydrophobicContact CB-CG 3.53Å; G170-E173 WeakPolarHBondContact O-CB 3.26Å; G170-E173 PolarHBondContact O-N 2.94Å; K171-E173 VanDerWaalsContact C-N 3.3Å; E173-M175 VanDerWaalsContact C-N 3.28Å; E173-M175 PolarHBondContact O-N 2.95Å; E173-V176 PolarHBondContact O-N 3.04Å; E173-M177 HydrophobicContact CG-CG 4.34Å; E173-M177 WeakPolarHBondContact O-CG 3.29Å; E173-M177 PolarHBondContact O-N 3.08Å; E173-K189 IonicContact OE1-NZ 3.41Å; E173-K189 PolarHBondContact OE1-NZ 3.41Å; E173-K189 IonicContact OE2-NZ 2.81Å; E173-K189 PolarHBondContact OE2-NZ 3.01Å
174R74.1Confident67.8Low212 Ų21269.4 Ų69.480%0.836%0.364SS*.Hα-helixtrans-58.3-39.7177.3-85.8-173.2-175.3173.81.3113T172 Q178T172-R174 VanDerWaalsContact C-N 3.32Å; T172-R174 PolarHBondContact O-N 3.15Å; R174-Q178 WeakPolarHBondContact O-CB 3.38Å; R174-Q178 PolarHBondContact O-N 2.67Å
175M79.1Confident69.5Low78 Ų7867.4 Ų67.438%0.38435%0.35SS..Hα-helixtrans-68.6-42.7-179.4-177.7-1688000110.8T172 E173 Q178 C179 I210 L746T172-M175 HydrophobicContact CG2-CE 4.36Å; T172-M175 WeakPolarHBondContact O-CB 3.45Å; T172-M175 PolarHBondContact O-N 3.28Å; E173-M175 VanDerWaalsContact C-N 3.28Å; E173-M175 PolarHBondContact O-N 2.95Å; M175-Q178 WeakPolarHBondContact O-CB 3.49Å; M175-Q178 PolarHBondContact O-N 2.98Å; M175-C179 PolarHBondContact O-N 3.47Å; M175-C179 PolarHBondContact O-SG 3.36Å; M175-I210 HydrophobicContact CE-CG2 4.04Å; M175-L746 HydrophobicContact CE-CD2 3.72Å
176V78.2Confident70.8Confident1 Ų159 Ų591%0.00632%0.321CS..Hα-helixtrans-63.2-47.4177.4175.40000110.5F167 A168 T172 E173 Q178 C179 M180 I210F167-V176 HydrophobicContact CB-CB 4.43Å; F167-V176 HydrophobicContact CB-CG1 3.91Å; F167-V176 HydrophobicContact CB-CG2 3.68Å; F167-V176 WeakPolarHBondContact O-CG2 3.27Å; A168-V176 HydrophobicContact CB-CB 4.49Å; T172-V176 PolarHBondContact O-N 3.39Å; T172-V176 VanDerWaalsContact O-N 3.15Å; E173-V176 PolarHBondContact O-N 3.04Å; V176-Q178 VanDerWaalsContact C-N 3.3Å; V176-Q178 PolarHBondContact O-N 3.02Å; V176-C179 WeakPolarHBondContact O-CB 3.46Å; V176-C179 PolarHBondContact O-N 3.38Å; V176-C179 VanDerWaalsContact O-N 3.08Å; V176-M180 HydrophobicContact CG1-CG 4.47Å; V176-M180 HydrophobicContact CG1-SD 3.97Å; V176-M180 WeakPolarHBondContact O-CG 3.31Å; V176-M180 PolarHBondContact O-N 3.14Å; V176-I210 HydrophobicContact CG1-CD1 3.96Å; V176-I210 HydrophobicContact CG2-CD1 4.15Å; V176-I210 HydrophobicContact CG2-CG1 4.33Å; V176-I210 HydrophobicContact CG2-CG2 4.48Å
177M76.5Confident71.6Confident22 Ų2264.3 Ų64.311%0.10834%0.34CS..Hα-helixtrans-60.7-40.6177.5-66.9-55.7-86.800111.8T164 E173 C179 M180 V181 K189T164-M177 HydrophobicContact CG2-SD 3.62Å; E173-M177 HydrophobicContact CG-CG 4.34Å; E173-M177 WeakPolarHBondContact O-CG 3.29Å; E173-M177 PolarHBondContact O-N 3.08Å; M177-C179 VanDerWaalsContact C-N 3.33Å; M177-C179 PolarHBondContact O-N 3.43Å; M177-M180 PolarHBondContact O-N 2.78Å; M177-M180 HydrophobicContact SD-SD 4.05Å; M177-V181 WeakPolarHBondContact O-CG2 3.42Å; M177-V181 PolarHBondContact O-N 3.28Å; M177-K189 VanDerWaalsContact CE-CA 3.49Å; M177-K189 HydrophobicContact CE-CB 4.27Å; M177-K189 HydrophobicContact CE-CG 3.8Å
178Q82.9Confident72Confident104 Ų10464.7 Ų64.749%0.48635%0.35SS..Hα-helixtrans-59.3-44.2173.6-177.362.932.500111.7R174 M175 V176 M180 V181 E182R174-Q178 WeakPolarHBondContact O-CB 3.38Å; R174-Q178 PolarHBondContact O-N 2.67Å; M175-Q178 WeakPolarHBondContact O-CB 3.49Å; M175-Q178 PolarHBondContact O-N 2.98Å; V176-Q178 VanDerWaalsContact C-N 3.3Å; V176-Q178 PolarHBondContact O-N 3.02Å; Q178-M180 VanDerWaalsContact C-N 3.31Å; Q178-M180 PolarHBondContact O-N 3.26Å; Q178-V181 PolarHBondContact O-N 3.35Å; Q178-E182 PolarHBondContact NE2-OE1 3.5Å; Q178-E182 VanDerWaalsContact O-CG 3.32Å; Q178-E182 WeakPolarHBondContact O-CG 3.3Å; Q178-E182 PolarHBondContact O-N 3.05Å
179C84.3Confident72.5Confident12 Ų1269.9 Ų69.98%0.08137%0.37CS..Hα-helixtrans-63.1-37.8176.9-64.30000112.2M175 V176 M177 L183 L206 K209 I210M175-C179 PolarHBondContact O-N 3.47Å; M175-C179 PolarHBondContact O-SG 3.36Å; V176-C179 WeakPolarHBondContact O-CB 3.46Å; V176-C179 PolarHBondContact O-N 3.38Å; V176-C179 VanDerWaalsContact O-N 3.08Å; M177-C179 VanDerWaalsContact C-N 3.33Å; M177-C179 PolarHBondContact O-N 3.43Å; C179-L183 WeakPolarHBondContact O-CG 3.44Å; C179-L183 PolarHBondContact O-N 3.34Å; C179-L206 HydrophobicContact CB-CD1 3.76Å; C179-K209 HydrophobicContact CB-CB 4.17Å; C179-I210 HydrophobicContact CB-CG1 4.31Å
180M80.5Confident73.2Confident8 Ų875.1 Ų75.14%0.03939%0.394CS..Hα-helixtrans-67.7-44.5177.8-66.1174.175.200111.5I163 V176 M177 Q178 E182 L183 G184 L185 C186 I193 L206I163-M180 HydrophobicContact CG2-CE 4.18Å; I163-M180 HydrophobicContact CG2-SD 4.09Å; V176-M180 HydrophobicContact CG1-CG 4.47Å; V176-M180 HydrophobicContact CG1-SD 3.97Å; V176-M180 WeakPolarHBondContact O-CG 3.31Å; V176-M180 PolarHBondContact O-N 3.14Å; M177-M180 PolarHBondContact O-N 2.78Å; M177-M180 HydrophobicContact SD-SD 4.05Å; Q178-M180 VanDerWaalsContact C-N 3.31Å; Q178-M180 PolarHBondContact O-N 3.26Å; M180-E182 VanDerWaalsContact C-N 3.34Å; M180-E182 PolarHBondContact O-N 2.84Å; M180-L183 PolarHBondContact O-N 3.1Å; M180-L183 VanDerWaalsContact O-N 3.16Å; M180-G184 PolarHBondContact O-N 2.61Å; M180-L185 HydrophobicContact CB-CB 4.32Å; M180-L185 WeakPolarHBondContact O-CB 3.49Å; M180-L185 PolarHBondContact O-N 3.01Å; M180-C186 VanDerWaalsContact CB-SG 3.56Å; M180-I193 HydrophobicContact CE-CD1 3.26Å; M180-L206 HydrophobicContact CG-CD1 3.71Å; M180-L206 HydrophobicContact CG-CD2 3.97Å
181V82.6Confident73.9Confident63 Ų6376.4 Ų76.438%0.38239%0.388SS..Hα-helixtrans-59.9-44.6175.2172.80000111M177 Q178 L183 G184 C186M177-V181 WeakPolarHBondContact O-CG2 3.42Å; M177-V181 PolarHBondContact O-N 3.28Å; Q178-V181 PolarHBondContact O-N 3.35Å; V181-L183 PolarHBondContact O-N 2.92Å; V181-G184 PolarHBondContact O-N 3.01Å; V181-C186 WeakPolarHBondContact CA-O 3.37Å; V181-C186 WeakPolarHBondContact CG2-O 3.41Å
182E85.3Confident74.3Confident106 Ų10676.6 Ų76.650%0.49539%0.392SS..Hα-helixtrans-66.2-22.8178.5-72.5174.3-165.900114.3Q178 M180 G184 K209Q178-E182 PolarHBondContact NE2-OE1 3.5Å; Q178-E182 VanDerWaalsContact O-CG 3.32Å; Q178-E182 WeakPolarHBondContact O-CG 3.3Å; Q178-E182 PolarHBondContact O-N 3.05Å; M180-E182 VanDerWaalsContact C-N 3.34Å; M180-E182 PolarHBondContact O-N 2.84Å; E182-G184 VanDerWaalsContact C-N 3.29Å; E182-K209 VanDerWaalsContact CB-NZ 3.32Å; E182-K209 IonicContact OE2-NZ 3.71Å; E182-K209 PolarHBondContact OE2-NZ 2.94Å
183L83.3Confident74.5Confident45 Ų4577.5 Ų77.524%0.23640%0.396CS..THydrogen-bonded Turntrans-89.83.5174-70.8170.5000112.4C179 M180 V181 L185 D205 L206 K209C179-L183 WeakPolarHBondContact O-CG 3.44Å; C179-L183 PolarHBondContact O-N 3.34Å; M180-L183 PolarHBondContact O-N 3.1Å; M180-L183 VanDerWaalsContact O-N 3.16Å; V181-L183 PolarHBondContact O-N 2.92Å; L183-L185 VanDerWaalsContact C-N 3.27Å; L183-L185 HydrophobicContact CB-CD1 4.25Å; L183-L185 HydrophobicContact CB-CG 4.34Å; L183-L185 PolarHBondContact O-N 3.45Å; L183-D205 HydrophobicContact CD2-CB 4.36Å; L183-L206 VanDerWaalsContact CD1-CA 3.41Å; L183-L206 HydrophobicContact CD1-CB 3.67Å; L183-L206 HydrophobicContact CD1-CD1 3.87Å; L183-L206 HydrophobicContact CD1-CG 4.39Å; L183-K209 HydrophobicContact CD1-CD 4.14Å; L183-K209 HydrophobicContact CD2-CD 4.18Å; L183-K209 HydrophobicContact CG-CD 4.02Å
184G81.1Confident74.5Confident69 Ų6979.2 Ų79.271%0.71140%0.404SS*.THydrogen-bonded Turntrans69.625.1179.500000113.3M180 V181 E182M180-G184 PolarHBondContact O-N 2.61Å; V181-G184 PolarHBondContact O-N 3.01Å; E182-G184 VanDerWaalsContact C-N 3.29Å
185L75.4Confident74.3Confident21 Ų2173.7 Ų73.711%0.1140%0.395CS..SBendtrans-86.3-33.2-177.1-81.1172.7000114.1M180 L183 I193 F198 L202M180-L185 HydrophobicContact CB-CB 4.32Å; M180-L185 WeakPolarHBondContact O-CB 3.49Å; M180-L185 PolarHBondContact O-N 3.01Å; L183-L185 VanDerWaalsContact C-N 3.27Å; L183-L185 HydrophobicContact CB-CD1 4.25Å; L183-L185 HydrophobicContact CB-CG 4.34Å; L183-L185 PolarHBondContact O-N 3.45Å; L185-I193 HydrophobicContact CB-CD1 4.04Å; L185-I193 HydrophobicContact CD2-CG2 4.09Å; L185-I193 WeakPolarHBondContact O-CG1 3.41Å; L185-F198 HydrophobicContact CD1-CD2 3.51Å; L185-F198 HydrophobicContact CD1-CE2 3.38Å; L185-F198 HydrophobicContact CD2-CB 4.28Å; L185-F198 HydrophobicContact CD2-CD2 3.51Å; L185-F198 HydrophobicContact CD2-CE2 4.31Å; L185-F198 HydrophobicContact CD2-CG 4.38Å; L185-F198 HydrophobicContact CG-CD2 4.07Å; L185-F198 HydrophobicContact CG-CE2 4.42Å; L185-L202 HydrophobicContact CD1-CD2 3.8Å; L185-L202 HydrophobicContact CD2-CD2 3.13Å; L185-L202 HydrophobicContact CG-CD2 3.52Å
186C73.8Confident74Confident12 Ų1275 Ų758%0.08141%0.408CS..  trans-146.115517653.20000109.3M180 V181 D191M180-C186 VanDerWaalsContact CB-SG 3.56Å; V181-C186 WeakPolarHBondContact CA-O 3.37Å; V181-C186 WeakPolarHBondContact CG2-O 3.41Å; C186-D191 HydrophobicContact CB-CB 3.96Å
187E69.6Low73.9Confident186 Ų18681.6 Ų81.687%0.86944%0.436SS*.SBendtrans-99.7-22.5173.2-60.8-173170.100111.2D191E187-D191 WeakPolarHBondContact CA-OD2 3.49Å; E187-D191 WeakPolarHBondContact CB-OD2 3.36Å; E187-D191 PolarHBondContact N-OD2 3.24Å
188G64.2Low73.8Confident29 Ų2980.6 Ų80.630%0.29943%0.432SS..SBendtrans-146.8177.9-17700000115.3N190 D191G188-N190 PolarHBondContact O-N 2.98Å; G188-D191 PolarHBondContact N-OD2 3.49Å
189K58Low73.7Confident121 Ų12178.9 Ų78.953%0.52643%0.428SS..THydrogen-bonded Turntrans-68.1-20.8-174.8-121.2-171.4-177.3-126.10114.6E173 M177E173-K189 IonicContact OE1-NZ 3.41Å; E173-K189 PolarHBondContact OE1-NZ 3.41Å; E173-K189 IonicContact OE2-NZ 2.81Å; E173-K189 PolarHBondContact OE2-NZ 3.01Å; M177-K189 VanDerWaalsContact CE-CA 3.49Å; M177-K189 HydrophobicContact CE-CB 4.27Å; M177-K189 HydrophobicContact CE-CG 3.8Å
190N64.4Low73.3Confident155 Ų15582.5 Ų82.583%0.82944%0.443SS*.THydrogen-bonded Turntrans-116.89.3-172.9-63.9-14.2000112.9G188 E192G188-N190 PolarHBondContact O-N 2.98Å; N190-E192 PolarHBondContact O-N 2.95Å
191D68.1Low73.2Confident82 Ų8285.3 Ų85.344%0.43946%0.462SS..PPolyproline II helixtrans-74.8127.6179.1-69.8-20.3000110.2C186 E187 G188C186-D191 HydrophobicContact CB-CB 3.96Å; E187-D191 WeakPolarHBondContact CA-OD2 3.49Å; E187-D191 WeakPolarHBondContact CB-OD2 3.36Å; E187-D191 PolarHBondContact N-OD2 3.24Å; G188-D191 PolarHBondContact N-OD2 3.49Å
192E64.6Low73.2Confident195 Ų19584.7 Ų84.791%0.91146%0.456SS*.PPolyproline II helixtrans-76.6129.2168-78.3-173.3158.200109.9N190N190-E192 PolarHBondContact O-N 2.95Å
193I70.3Confident72.9Confident43 Ų4380.2 Ų80.222%0.22144%0.435CS..PPolyproline II helixtrans-86123.7176.9-55.6178.5000108.3M180 L185 P195 F198M180-I193 HydrophobicContact CE-CD1 3.26Å; L185-I193 HydrophobicContact CB-CD1 4.04Å; L185-I193 HydrophobicContact CD2-CG2 4.09Å; L185-I193 WeakPolarHBondContact O-CG1 3.41Å; I193-P195 WeakPolarHBondContact O-CD 3.3Å; I193-F198 HydrophobicContact CD1-CD2 4.48Å; I193-F198 HydrophobicContact CG2-CB 3.74Å; I193-F198 HydrophobicContact CG2-CD2 4.34Å; I193-F198 HydrophobicContact CG2-CG 4.36Å
194E68.8Low72.8Confident99 Ų9978.6 Ų78.646%0.46343%0.426SS..PPolyproline II helixtrans-61.7123.4176.4-161.8179.9173.900110.4T196 K197E194-T196 PolarHBondContact O-N 3.36Å; E194-T196 VanDerWaalsContact O-N 3.09Å; E194-T196 PolarHBondContact OE1-OG1 3.26Å; E194-K197 HydrophobicContact CB-CB 4.5Å; E194-K197 HydrophobicContact CB-CD 4.14Å; E194-K197 HydrophobicContact CB-CG 4.28Å; E194-K197 PolarHBondContact O-N 3.44Å; E194-K197 WeakPolarHBondContact OE2-CE 3.44Å; E194-K197 IonicContact OE2-NZ 2.75Å; E194-K197 PolarHBondContact OE2-NZ 3.11Å
195P68.9Low72.8Confident96 Ų9678.2 Ų78.262%0.62341%0.408SS*.THydrogen-bonded Turntrans-57.5-30.8-173.3-2935.4000114.7F160 I193 K197F160-P195 HydrophobicContact CE1-CB 4.23Å; F160-P195 WeakPolarHBondContact CE1-O 3.08Å; F160-P195 WeakPolarHBondContact CZ-O 3.34Å; I193-P195 WeakPolarHBondContact O-CD 3.3Å; P195-K197 VanDerWaalsContact C-N 3.27Å; P195-K197 PolarHBondContact O-N 2.95Å
196T73.5Confident73.2Confident107 Ų10777.2 Ų77.266%0.65640%0.402SS*.THydrogen-bonded Turntrans-69.8-23.917952.60000113.1E194E194-T196 PolarHBondContact O-N 3.36Å; E194-T196 VanDerWaalsContact O-N 3.09Å; E194-T196 PolarHBondContact OE1-OG1 3.26Å
197K76Confident73.5Confident138 Ų13877.4 Ų77.460%0.640%0.402SS*.THydrogen-bonded Turntrans-87.2-28.8-177.2-71.1-178.9175141.30113.4E194 P195 T199E194-K197 HydrophobicContact CB-CB 4.5Å; E194-K197 HydrophobicContact CB-CD 4.14Å; E194-K197 HydrophobicContact CB-CG 4.28Å; E194-K197 PolarHBondContact O-N 3.44Å; E194-K197 WeakPolarHBondContact OE2-CE 3.44Å; E194-K197 IonicContact OE2-NZ 2.75Å; E194-K197 PolarHBondContact OE2-NZ 3.11Å; P195-K197 VanDerWaalsContact C-N 3.27Å; P195-K197 PolarHBondContact O-N 2.95Å; K197-T199 VanDerWaalsContact C-N 3.27Å; K197-T199 PolarHBondContact O-N 3.46Å
198F74.8Confident74.2Confident1 Ų172.1 Ų72.10%0.00437%0.374CS..SBendtrans-87.655.9-173.2-179-85.2000112.4F160 I163 L185 I193 L202 F203 L206F160-F198 HydrophobicContact CD1-CB 4.44Å; F160-F198 AromaticContact CD1-CD1 3.74Å; F160-F198 HydrophobicContact CD1-CD1 3.74Å; F160-F198 HydrophobicContact CD1-CG 4.42Å; F160-F198 AromaticContact CD2-CD1 3.81Å; F160-F198 HydrophobicContact CD2-CD1 3.81Å; F160-F198 HydrophobicContact CD2-CE1 4.33Å; F160-F198 HydrophobicContact CE1-CB 3.41Å; F160-F198 VanDerWaalsContact CE1-CB 3.41Å; F160-F198 AromaticContact CE1-CD1 3.42Å; F160-F198 HydrophobicContact CE1-CD1 3.42Å; F160-F198 VanDerWaalsContact CE1-CD1 3.42Å; F160-F198 AromaticContact CE1-CG 3.79Å; F160-F198 HydrophobicContact CE1-CG 3.79Å; F160-F198 HydrophobicContact CE2-CB 4.33Å; F160-F198 AromaticContact CE2-CD1 3.55Å; F160-F198 HydrophobicContact CE2-CD1 3.55Å; F160-F198 HydrophobicContact CE2-CE1 4.38Å; F160-F198 HydrophobicContact CE2-CG 4.4Å; F160-F198 WeakPolarHBondContact CE2-O 3.46Å; F160-F198 AromaticContact CG-CD1 3.94Å; F160-F198 HydrophobicContact CG-CD1 3.94Å; F160-F198 HydrophobicContact CG-CE1 4.49Å; F160-F198 HydrophobicContact CZ-CB 3.37Å; F160-F198 AromaticContact CZ-CD1 3.37Å; F160-F198 HydrophobicContact CZ-CD1 3.37Å; F160-F198 AromaticContact CZ-CG 3.82Å; F160-F198 HydrophobicContact CZ-CG 3.82Å; F160-F198 WeakPolarHBondContact CZ-O 3.48Å; I163-F198 HydrophobicContact CD1-CD1 3.87Å; I163-F198 HydrophobicContact CD1-CD2 4.43Å; I163-F198 HydrophobicContact CD1-CE1 3.17Å; I163-F198 HydrophobicContact CD1-CE2 3.83Å; I163-F198 HydrophobicContact CD1-CZ 3.19Å; I163-F198 HydrophobicContact CG1-CE1 4.35Å; I163-F198 HydrophobicContact CG1-CZ 4.22Å; L185-F198 HydrophobicContact CD1-CD2 3.51Å; L185-F198 HydrophobicContact CD1-CE2 3.38Å; L185-F198 HydrophobicContact CD2-CB 4.28Å; L185-F198 HydrophobicContact CD2-CD2 3.51Å; L185-F198 HydrophobicContact CD2-CE2 4.31Å; L185-F198 HydrophobicContact CD2-CG 4.38Å; L185-F198 HydrophobicContact CG-CD2 4.07Å; L185-F198 HydrophobicContact CG-CE2 4.42Å; I193-F198 HydrophobicContact CD1-CD2 4.48Å; I193-F198 HydrophobicContact CG2-CB 3.74Å; I193-F198 HydrophobicContact CG2-CD2 4.34Å; I193-F198 HydrophobicContact CG2-CG 4.36Å; F198-L202 HydrophobicContact CD2-CD2 4.47Å; F198-F203 HydrophobicContact CE1-CB 3.67Å; F198-F203 AromaticContact CE1-CD2 3.66Å; F198-F203 HydrophobicContact CE1-CD2 3.66Å; F198-F203 HydrophobicContact CE1-CG 4.14Å; F198-F203 HydrophobicContact CZ-CB 3.68Å; F198-F203 AromaticContact CZ-CD2 3.61Å; F198-F203 HydrophobicContact CZ-CD2 3.61Å; F198-F203 HydrophobicContact CZ-CG 4.1Å; F198-L206 HydrophobicContact CE2-CD2 3.96Å; F198-L206 HydrophobicContact CZ-CD2 4.05Å
199T80.7Confident75.2Confident68 Ų6874.6 Ų74.642%0.41738%0.376SS..  trans-59.3159.4-176.665.20000114.1K197 L202 F203K197-T199 VanDerWaalsContact C-N 3.27Å; K197-T199 PolarHBondContact O-N 3.46Å; T199-L202 WeakPolarHBondContact O-CA 3.4Å; T199-L202 WeakPolarHBondContact O-CB 3.21Å; T199-L202 PolarHBondContact O-N 3.07Å; T199-F203 PolarHBondContact O-N 3.28Å
200F75.9Confident76.4Confident88 Ų8869 Ų6939%0.38635%0.352SS..Hα-helixtrans-53.3-42.3177.3176.8-107000114.6I157 N158 L202 F203 Y204I157-F200 HydrophobicContact CB-CE2 4.5Å; I157-F200 HydrophobicContact CG2-CE2 4.13Å; I157-F200 VanDerWaalsContact O-CE2 3.32Å; I157-F200 WeakPolarHBondContact O-CE2 3.49Å; N158-F200 WeakPolarHBondContact OD1-CD2 3.36Å; F200-L202 PolarHBondContact O-N 3.36Å; F200-F203 HydrophobicContact CD2-CD1 4.47Å; F200-F203 HydrophobicContact CE2-CD1 4.47Å; F200-F203 WeakPolarHBondContact O-CB 3.43Å; F200-F203 PolarHBondContact O-N 2.95Å; F200-Y204 WeakPolarHBondContact O-CB 3.5Å; F200-Y204 PolarHBondContact O-N 3.47Å
201P79Confident77.4Confident68 Ų6861.7 Ų61.744%0.44231%0.313SS..Hα-helixtrans-53.8-41.3172.7-28.335.9000112.9Y204 D205P201-Y204 WeakPolarHBondContact O-CB 3.47Å; P201-Y204 PolarHBondContact O-N 2.79Å; P201-D205 PolarHBondContact O-N 3.29Å
202L81.4Confident78.4Confident49 Ų4961.2 Ų61.226%0.25731%0.314SS..Hα-helixtrans-72.9-37.9-179.8-148.6100.3000112L185 F198 T199 F200 Y204 D205 L206L185-L202 HydrophobicContact CD1-CD2 3.8Å; L185-L202 HydrophobicContact CD2-CD2 3.13Å; L185-L202 HydrophobicContact CG-CD2 3.52Å; F198-L202 HydrophobicContact CD2-CD2 4.47Å; T199-L202 WeakPolarHBondContact O-CA 3.4Å; T199-L202 WeakPolarHBondContact O-CB 3.21Å; T199-L202 PolarHBondContact O-N 3.07Å; F200-L202 PolarHBondContact O-N 3.36Å; L202-Y204 VanDerWaalsContact C-N 3.3Å; L202-Y204 PolarHBondContact O-N 2.94Å; L202-D205 PolarHBondContact O-N 3.46Å; L202-L206 PolarHBondContact O-N 3.23Å
203F80Confident79.7Confident12 Ų1252.5 Ų52.55%0.05327%0.273CS..Hα-helixtrans-57.4-45.3168.1174-77000110.9I157 I163 F167 F198 T199 F200 D205 L206 F207I157-F203 HydrophobicContact CB-CE1 4.37Å; I157-F203 HydrophobicContact CG2-CD1 3.53Å; I157-F203 HydrophobicContact CG2-CE1 2.86Å; I157-F203 HydrophobicContact CG2-CZ 3.44Å; I157-F203 VanDerWaalsContact CG2-CZ 3.44Å; I163-F203 HydrophobicContact CG1-CE2 4.43Å; F167-F203 AromaticContact CE2-CE2 3.9Å; F167-F203 HydrophobicContact CE2-CE2 3.9Å; F167-F203 HydrophobicContact CE2-CZ 4.1Å; F167-F203 HydrophobicContact CZ-CE2 4.13Å; F167-F203 AromaticContact CZ-CZ 3.83Å; F167-F203 HydrophobicContact CZ-CZ 3.83Å; F198-F203 HydrophobicContact CE1-CB 3.67Å; F198-F203 AromaticContact CE1-CD2 3.66Å; F198-F203 HydrophobicContact CE1-CD2 3.66Å; F198-F203 HydrophobicContact CE1-CG 4.14Å; F198-F203 HydrophobicContact CZ-CB 3.68Å; F198-F203 AromaticContact CZ-CD2 3.61Å; F198-F203 HydrophobicContact CZ-CD2 3.61Å; F198-F203 HydrophobicContact CZ-CG 4.1Å; T199-F203 PolarHBondContact O-N 3.28Å; F200-F203 HydrophobicContact CD2-CD1 4.47Å; F200-F203 HydrophobicContact CE2-CD1 4.47Å; F200-F203 WeakPolarHBondContact O-CB 3.43Å; F200-F203 PolarHBondContact O-N 2.95Å; F203-D205 VanDerWaalsContact C-N 3.29Å; F203-D205 PolarHBondContact O-N 3.09Å; F203-L206 CarbonylContact O-C 3.57Å; F203-L206 WeakPolarHBondContact O-CA 3.35Å; F203-L206 WeakPolarHBondContact O-CB 3.46Å; F203-L206 PolarHBondContact O-N 3.03Å; F203-L206 VanDerWaalsContact O-N 3.12Å; F203-F207 HydrophobicContact CE1-CB 3.91Å; F203-F207 HydrophobicContact CE1-CD2 4.46Å; F203-F207 PolarHBondContact O-N 3.42Å
204Y79.9Confident80.7Confident11 Ų1155.1 Ų55.14%0.04328%0.284CS..Hα-helixtrans-63.9-37.8-178.4-174.1-100.6000111.3F200 P201 L202 F207 R208 R288F200-Y204 WeakPolarHBondContact O-CB 3.5Å; F200-Y204 PolarHBondContact O-N 3.47Å; P201-Y204 WeakPolarHBondContact O-CB 3.47Å; P201-Y204 PolarHBondContact O-N 2.79Å; L202-Y204 VanDerWaalsContact C-N 3.3Å; L202-Y204 PolarHBondContact O-N 2.94Å; Y204-F207 WeakPolarHBondContact O-CB 3.49Å; Y204-F207 PolarHBondContact O-N 2.88Å; Y204-R208 HydrophobicContact CD1-CG 4.39Å; Y204-R208 VanDerWaalsContact CE1-CD 3.4Å; Y204-R208 HydrophobicContact CE1-CG 4.13Å; Y204-R208 WeakPolarHBondContact O-CG 3.35Å; Y204-R208 PolarHBondContact O-N 3.01Å; Y204-R288 HydrophobicContact CE1-CG 3.94Å; Y204-R288 HydrophobicContact CE2-CG 4.45Å; Y204-R288 WeakPolarHBondContact OH-CG 3.4Å
205D82.6Confident81.9Confident62 Ų6250.9 Ų50.933%0.33227%0.265SS..Hα-helixtrans-66.5-38.4172.7-70.7-24.9000112.1L183 P201 L202 F203 R208 K209L183-D205 HydrophobicContact CD2-CB 4.36Å; P201-D205 PolarHBondContact O-N 3.29Å; L202-D205 PolarHBondContact O-N 3.46Å; F203-D205 VanDerWaalsContact C-N 3.29Å; F203-D205 PolarHBondContact O-N 3.09Å; D205-R208 PolarHBondContact O-N 3.43Å; D205-R208 IonicContact OD1-NH1 2.85Å; D205-K209 PolarHBondContact O-N 3.1Å
206L82.2Confident83.1Confident0 Ų046.3 Ų46.30%024%0.236CC..Hα-helixtrans-61.3-47.4171.217964.5000111.6I163 C179 M180 L183 F198 L202 F203 R208 K209 I210I163-L206 HydrophobicContact CG2-CD2 3.67Å; C179-L206 HydrophobicContact CB-CD1 3.76Å; M180-L206 HydrophobicContact CG-CD1 3.71Å; M180-L206 HydrophobicContact CG-CD2 3.97Å; L183-L206 VanDerWaalsContact CD1-CA 3.41Å; L183-L206 HydrophobicContact CD1-CB 3.67Å; L183-L206 HydrophobicContact CD1-CD1 3.87Å; L183-L206 HydrophobicContact CD1-CG 4.39Å; F198-L206 HydrophobicContact CE2-CD2 3.96Å; F198-L206 HydrophobicContact CZ-CD2 4.05Å; L202-L206 PolarHBondContact O-N 3.23Å; F203-L206 CarbonylContact O-C 3.57Å; F203-L206 WeakPolarHBondContact O-CA 3.35Å; F203-L206 WeakPolarHBondContact O-CB 3.46Å; F203-L206 PolarHBondContact O-N 3.03Å; F203-L206 VanDerWaalsContact O-N 3.12Å; L206-R208 VanDerWaalsContact C-N 3.31Å; L206-R208 PolarHBondContact O-N 3.31Å; L206-K209 PolarHBondContact O-N 2.96Å; L206-K209 VanDerWaalsContact O-N 3.13Å; L206-I210 HydrophobicContact CD1-CD1 3.82Å; L206-I210 HydrophobicContact CD1-CG1 4.09Å; L206-I210 HydrophobicContact CD2-CD1 4.29Å; L206-I210 HydrophobicContact CG-CD1 3.7Å; L206-I210 HydrophobicContact CG-CG1 4.34Å; L206-I210 WeakPolarHBondContact O-CG1 3.47Å; L206-I210 PolarHBondContact O-N 3.25Å
207F81.3Confident84.1Confident15 Ų1543.5 Ų43.57%0.06622%0.216CC..Hα-helixtrans-56.2-45.4176.6174.2-88.8000111.5I157 F203 Y204 K209 I210 C211 F710I157-F207 HydrophobicContact CD1-CE2 4.24Å; I157-F207 HydrophobicContact CD1-CZ 4.45Å; F203-F207 HydrophobicContact CE1-CB 3.91Å; F203-F207 HydrophobicContact CE1-CD2 4.46Å; F203-F207 PolarHBondContact O-N 3.42Å; Y204-F207 WeakPolarHBondContact O-CB 3.49Å; Y204-F207 PolarHBondContact O-N 2.88Å; F207-K209 VanDerWaalsContact C-N 3.32Å; F207-K209 PolarHBondContact O-N 3.08Å; F207-I210 PolarHBondContact O-N 3.24Å; F207-C211 PolarHBondContact O-N 3.2Å; F207-F710 HydrophobicContact CD2-CE2 4Å; F207-F710 AromaticContact CD2-CZ 3.9Å; F207-F710 HydrophobicContact CD2-CZ 3.9Å; F207-F710 HydrophobicContact CE2-CD2 4.2Å; F207-F710 AromaticContact CE2-CE2 3.19Å; F207-F710 HydrophobicContact CE2-CE2 3.19Å; F207-F710 AromaticContact CE2-CZ 3.57Å; F207-F710 HydrophobicContact CE2-CZ 3.57Å; F207-F710 AromaticContact CZ-CE2 3.66Å; F207-F710 HydrophobicContact CZ-CE2 3.66Å; F207-F710 HydrophobicContact CZ-CZ 4.3Å
208R83.4Confident84.9Confident75 Ų7541.6 Ų41.628%0.28321%0.209SC..Hα-helixtrans-64.8-34.3177.7-74.8175.265.9-1638113.1Y204 D205 L206 C211 S284 L287Y204-R208 HydrophobicContact CD1-CG 4.39Å; Y204-R208 VanDerWaalsContact CE1-CD 3.4Å; Y204-R208 HydrophobicContact CE1-CG 4.13Å; Y204-R208 WeakPolarHBondContact O-CG 3.35Å; Y204-R208 PolarHBondContact O-N 3.01Å; D205-R208 PolarHBondContact O-N 3.43Å; D205-R208 IonicContact OD1-NH1 2.85Å; L206-R208 VanDerWaalsContact C-N 3.31Å; L206-R208 PolarHBondContact O-N 3.31Å; R208-C211 CarbonylContact O-C 3.55Å; R208-S284 PolarHBondContact NH1-OG 2.92Å; R208-L287 HydrophobicContact CG-CD2 4.24Å
209K85.5Confident85.8Confident82 Ų8242.4 Ų42.436%0.35721%0.213SC..Hα-helixtrans-71.5-42.5174.1-82.6-161.4170.3-156.90112.4C179 E182 L183 D205 L206 F207C179-K209 HydrophobicContact CB-CB 4.17Å; E182-K209 VanDerWaalsContact CB-NZ 3.32Å; E182-K209 IonicContact OE2-NZ 3.71Å; E182-K209 PolarHBondContact OE2-NZ 2.94Å; L183-K209 HydrophobicContact CD1-CD 4.14Å; L183-K209 HydrophobicContact CD2-CD 4.18Å; L183-K209 HydrophobicContact CG-CD 4.02Å; D205-K209 PolarHBondContact O-N 3.1Å; L206-K209 PolarHBondContact O-N 2.96Å; L206-K209 VanDerWaalsContact O-N 3.13Å; F207-K209 VanDerWaalsContact C-N 3.32Å; F207-K209 PolarHBondContact O-N 3.08Å
210I83.2Confident86.5Confident3 Ų339.3 Ų39.32%0.01519%0.194CC..Hα-helixtrans-67.8-42.4180-68.2170.7000111.1F167 M175 V176 C179 L206 F207 P212 F710 L746F167-I210 HydrophobicContact CB-CD1 4.26Å; F167-I210 HydrophobicContact CD1-CD1 4.16Å; F167-I210 HydrophobicContact CD1-CG2 4.31Å; F167-I210 HydrophobicContact CD2-CD1 4.25Å; F167-I210 HydrophobicContact CG-CD1 3.98Å; M175-I210 HydrophobicContact CE-CG2 4.04Å; V176-I210 HydrophobicContact CG1-CD1 3.96Å; V176-I210 HydrophobicContact CG2-CD1 4.15Å; V176-I210 HydrophobicContact CG2-CG1 4.33Å; V176-I210 HydrophobicContact CG2-CG2 4.48Å; C179-I210 HydrophobicContact CB-CG1 4.31Å; L206-I210 HydrophobicContact CD1-CD1 3.82Å; L206-I210 HydrophobicContact CD1-CG1 4.09Å; L206-I210 HydrophobicContact CD2-CD1 4.29Å; L206-I210 HydrophobicContact CG-CD1 3.7Å; L206-I210 HydrophobicContact CG-CG1 4.34Å; L206-I210 WeakPolarHBondContact O-CG1 3.47Å; L206-I210 PolarHBondContact O-N 3.25Å; F207-I210 PolarHBondContact O-N 3.24Å; I210-P212 WeakPolarHBondContact O-CD 3.46Å; I210-F710 HydrophobicContact CG2-CE1 4.32Å; I210-L746 HydrophobicContact CG2-CD2 4.43Å
211C85.8Confident87.4Confident1 Ų139.2 Ų39.21%0.00720%0.198CC..SBendtrans-121.977.3-176.1-172.20000110.1F207 R208 R213 F710F207-C211 PolarHBondContact O-N 3.2Å; R208-C211 CarbonylContact O-C 3.55Å; C211-R213 PolarHBondContact O-N 3.22Å; C211-F710 HydrophobicContact CB-CE1 4.45Å; C211-F710 HydrophobicContact CB-CE2 3.89Å; C211-F710 HydrophobicContact CB-CZ 3.56Å
212P88Confident88Confident72 Ų7242.6 Ų42.647%0.46821%0.212SC..  trans-64.4134.4177.725-32.3000110.7I210 N747I210-P212 WeakPolarHBondContact O-CD 3.46Å; P212-N747 PolarHBondContact O-ND2 2.93Å
213R92.3Very high88.5Confident13 Ų1342.1 Ų42.15%0.04921%0.21CC..  trans-106.463.8-175.4-64.8-58.5-57.4-85.33.9112.4C211 D215 I216 L217 Y283 L287 H796 F813C211-R213 PolarHBondContact O-N 3.22Å; R213-D215 WeakPolarHBondContact CA-OD1 3.47Å; R213-D215 IonicContact CZ-OD1 2.77Å; R213-D215 IonicContact CZ-OD2 2.78Å; R213-D215 IonicContact NE-OD1 3.14Å; R213-D215 PolarHBondContact NE-OD1 2.92Å; R213-D215 IonicContact NE-OD2 2.72Å; R213-D215 PolarHBondContact NE-OD2 3.41Å; R213-D215 IonicContact NH2-OD1 3.86Å; R213-D215 IonicContact NH2-OD2 2.97Å; R213-D215 PolarHBondContact NH2-OD2 3.23Å; R213-D215 PolarHBondContact O-N 3.4Å; R213-I216 HydrophobicContact CB-CB 4.31Å; R213-I216 HydrophobicContact CB-CD1 4.49Å; R213-I216 HydrophobicContact CB-CG1 4.46Å; R213-I216 PolarHBondContact O-N 2.83Å; R213-L217 PolarHBondContact O-N 3.19Å; R213-L217 VanDerWaalsContact O-N 3.09Å; R213-Y283 WeakPolarHBondContact CB-OH 3.46Å; R213-Y283 PolarHBondContact O-OH 3.34Å; R213-L287 HydrophobicContact CG-CD1 4.41Å; R213-H796 PolarHBondContact NH1-NE2 3.48Å; R213-F813 VanDerWaalsContact NH2-CD1 3.35Å
214Q92.2Very high89.1Confident97 Ų9742.2 Ų42.245%0.45321%0.211SC..Hα-helixtrans-60.3-34.3178.6-17161.128.500112I216 L217 E218Q214-I216 PolarHBondContact O-N 2.99Å; Q214-L217 PolarHBondContact O-N 2.94Å; Q214-E218 PolarHBondContact O-N 3.32Å
215D93.1Very high89.4Confident11 Ų1145.5 Ų45.56%0.05923%0.227CC..Hα-helixtrans-55.6-44.7173.859.1-33.8000112.9R213 I219 I706 S707 I749R213-D215 WeakPolarHBondContact CA-OD1 3.47Å; R213-D215 IonicContact CZ-OD1 2.77Å; R213-D215 IonicContact CZ-OD2 2.78Å; R213-D215 IonicContact NE-OD1 3.14Å; R213-D215 PolarHBondContact NE-OD1 2.92Å; R213-D215 IonicContact NE-OD2 2.72Å; R213-D215 PolarHBondContact NE-OD2 3.41Å; R213-D215 IonicContact NH2-OD1 3.86Å; R213-D215 IonicContact NH2-OD2 2.97Å; R213-D215 PolarHBondContact NH2-OD2 3.23Å; R213-D215 PolarHBondContact O-N 3.4Å; D215-I219 WeakPolarHBondContact O-CD1 3.43Å; D215-I219 WeakPolarHBondContact O-CG1 3.34Å; D215-I219 PolarHBondContact O-N 3.46Å; D215-I706 HydrophobicContact CB-CG2 3.88Å; D215-S707 WeakPolarHBondContact OD2-CB 3.36Å; D215-S707 PolarHBondContact OD2-OG 3.49Å; D215-I749 HydrophobicContact CB-CD1 4.43Å
216I94.9Very high89.4Confident0 Ų052.1 Ų52.10%026%0.256CS..Hα-helixtrans-76.4-35.1177.2-63-178.2000111.2R213 Q214 E218 I219 F220 Y283 F286 L287 L290 F813R213-I216 HydrophobicContact CB-CB 4.31Å; R213-I216 HydrophobicContact CB-CD1 4.49Å; R213-I216 HydrophobicContact CB-CG1 4.46Å; R213-I216 PolarHBondContact O-N 2.83Å; Q214-I216 PolarHBondContact O-N 2.99Å; I216-E218 VanDerWaalsContact C-N 3.31Å; I216-E218 PolarHBondContact O-N 3.09Å; I216-I219 PolarHBondContact O-N 3.33Å; I216-F220 WeakPolarHBondContact O-CB 3.45Å; I216-F220 PolarHBondContact O-N 2.77Å; I216-Y283 HydrophobicContact CB-CE2 4.28Å; I216-Y283 HydrophobicContact CG2-CE2 3.9Å; I216-F286 HydrophobicContact CG2-CD1 3.97Å; I216-F286 HydrophobicContact CG2-CE1 3.96Å; I216-L287 HydrophobicContact CB-CD1 4.49Å; I216-L287 HydrophobicContact CD1-CD1 3.37Å; I216-L287 HydrophobicContact CG1-CD1 4.48Å; I216-L287 HydrophobicContact CG2-CD1 4.24Å; I216-L290 HydrophobicContact CD1-CD1 4.2Å; I216-L290 HydrophobicContact CG2-CD1 3.86Å; I216-F813 HydrophobicContact CD1-CE1 4.25Å; I216-F813 HydrophobicContact CD1-CE2 4.17Å; I216-F813 HydrophobicContact CD1-CZ 4.02Å; I216-F813 HydrophobicContact CG1-CD1 4.21Å; I216-F813 HydrophobicContact CG1-CE1 3.66Å; I216-F813 HydrophobicContact CG1-CE2 4.41Å; I216-F813 HydrophobicContact CG1-CZ 3.77Å
217L94.1Very high89.4Confident48 Ų4856 Ų5625%0.25130%0.296SS..Hα-helixtrans-61-41.6178.6-177.761.1000111.7R213 Q214 F220 N221 Y283R213-L217 PolarHBondContact O-N 3.19Å; R213-L217 VanDerWaalsContact O-N 3.09Å; Q214-L217 PolarHBondContact O-N 2.94Å; L217-F220 PolarHBondContact O-N 3.32Å; L217-N221 WeakPolarHBondContact O-CB 3.39Å; L217-N221 PolarHBondContact O-N 2.98Å; L217-N221 PolarHBondContact O-ND2 3.32Å; L217-Y283 HydrophobicContact CB-CD2 4.43Å; L217-Y283 HydrophobicContact CB-CE2 3.87Å; L217-Y283 HydrophobicContact CD1-CD1 4.17Å; L217-Y283 HydrophobicContact CD1-CD2 3.76Å; L217-Y283 HydrophobicContact CD1-CE1 4.4Å; L217-Y283 HydrophobicContact CD1-CE2 4.02Å; L217-Y283 HydrophobicContact CD1-CG 3.85Å
218E92.8Very high89.7Confident97 Ų9758.8 Ų58.845%0.45331%0.309SS..Hα-helixtrans-61.5-43.9174.5-74.1175.7-166.200111.9Q214 I216 N221 N222Q214-E218 PolarHBondContact O-N 3.32Å; I216-E218 VanDerWaalsContact C-N 3.31Å; I216-E218 PolarHBondContact O-N 3.09Å; E218-N221 PolarHBondContact O-N 3.48Å; E218-N222 PolarHBondContact O-N 2.89Å; E218-N222 VanDerWaalsContact O-N 3.08Å; E218-N222 PolarHBondContact O-ND2 2.83Å
219I93.7Very high90.1Very high18 Ų1859.8 Ų59.89%0.09233%0.326CS..Hα-helixtrans-62-46.6175.9-65.9161.4000110.7D215 I216 N221 N222 L223 I706 Y794 F813D215-I219 WeakPolarHBondContact O-CD1 3.43Å; D215-I219 WeakPolarHBondContact O-CG1 3.34Å; D215-I219 PolarHBondContact O-N 3.46Å; I216-I219 PolarHBondContact O-N 3.33Å; I219-N221 PolarHBondContact O-N 2.86Å; I219-N222 PolarHBondContact O-N 3.22Å; I219-L223 HydrophobicContact CG2-CD1 3.78Å; I219-L223 HydrophobicContact CG2-CG 4.4Å; I219-L223 VanDerWaalsContact O-CG 3.3Å; I219-L223 WeakPolarHBondContact O-CG 3.39Å; I219-L223 PolarHBondContact O-N 3.01Å; I219-I706 HydrophobicContact CD1-CD1 4.17Å; I219-Y794 HydrophobicContact CD1-CD1 3.82Å; I219-Y794 HydrophobicContact CD1-CE1 3.46Å; I219-Y794 VanDerWaalsContact CD1-CE1 3.46Å; I219-Y794 HydrophobicContact CG1-CE1 4.1Å; I219-Y794 HydrophobicContact CG2-CD2 4.31Å; I219-Y794 HydrophobicContact CG2-CE1 4.28Å; I219-Y794 HydrophobicContact CG2-CE2 3.79Å; I219-F813 HydrophobicContact CD1-CE1 3.72Å; I219-F813 HydrophobicContact CD1-CZ 4.17Å
220F95.5Very high90.5Very high3 Ų357.7 Ų57.71%0.01332%0.316CS..Hα-helixtrans-59.6-46.7179.4178.4-100.3000111.7I216 L217 N222 L223 C224 M231 S282 Y283 F286I216-F220 WeakPolarHBondContact O-CB 3.45Å; I216-F220 PolarHBondContact O-N 2.77Å; L217-F220 PolarHBondContact O-N 3.32Å; F220-N222 VanDerWaalsContact C-N 3.28Å; F220-N222 PolarHBondContact O-N 3.16Å; F220-L223 PolarHBondContact O-N 2.91Å; F220-L223 VanDerWaalsContact O-N 3.12Å; F220-C224 WeakPolarHBondContact CE1-SG 3.28Å; F220-C224 WeakPolarHBondContact CZ-SG 3.18Å; F220-C224 PolarHBondContact O-N 3.47Å; F220-C224 PolarHBondContact O-SG 3.01Å; F220-M231 HydrophobicContact CD2-CE 4.11Å; F220-M231 HydrophobicContact CE2-CB 4.08Å; F220-M231 HydrophobicContact CE2-CE 4.2Å; F220-S282 VanDerWaalsContact CZ-C 3.46Å; F220-Y283 HydrophobicContact CB-CD2 3.97Å; F220-Y283 HydrophobicContact CD1-CD2 4.23Å; F220-Y283 HydrophobicContact CD1-CG 4.48Å; F220-Y283 HydrophobicContact CG-CD2 4.05Å; F220-F286 HydrophobicContact CB-CD1 4.02Å; F220-F286 HydrophobicContact CB-CE1 4.25Å; F220-F286 HydrophobicContact CD2-CB 3.6Å; F220-F286 AromaticContact CD2-CD1 3.67Å; F220-F286 HydrophobicContact CD2-CD1 3.67Å; F220-F286 HydrophobicContact CD2-CD2 4.24Å; F220-F286 HydrophobicContact CD2-CE1 4.37Å; F220-F286 AromaticContact CD2-CG 3.58Å; F220-F286 HydrophobicContact CD2-CG 3.58Å; F220-F286 HydrophobicContact CE2-CB 3.78Å; F220-F286 HydrophobicContact CE2-CG 4.17Å; F220-F286 HydrophobicContact CG-CD1 4.29Å
221N94Very high91Very high86 Ų8657.6 Ų57.646%0.4632%0.315SS..Hα-helixtrans-62.2-36.5178.8-69.6-21.3000112.1L217 E218 I219 L223 C224L217-N221 WeakPolarHBondContact O-CB 3.39Å; L217-N221 PolarHBondContact O-N 2.98Å; L217-N221 PolarHBondContact O-ND2 3.32Å; E218-N221 PolarHBondContact O-N 3.48Å; I219-N221 PolarHBondContact O-N 2.86Å; N221-L223 VanDerWaalsContact C-N 3.33Å; N221-C224 PolarHBondContact O-N 3.34Å
222N92.1Very high91.4Very high140 Ų14058.5 Ų58.575%0.74932%0.321SS*.Hα-helixtrans-71-27.1176.5-69.7-23.2000113.3E218 I219 F220E218-N222 PolarHBondContact O-N 2.89Å; E218-N222 VanDerWaalsContact O-N 3.08Å; E218-N222 PolarHBondContact O-ND2 2.83Å; I219-N222 PolarHBondContact O-N 3.22Å; F220-N222 VanDerWaalsContact C-N 3.28Å; F220-N222 PolarHBondContact O-N 3.16Å
223L92.4Very high91.8Very high39 Ų3956.1 Ų56.120%0.20431%0.306CS..Hα-helixtrans-85.4-21.9177.6-67.6170.2000113I219 F220 N221 M231 F239 F286I219-L223 HydrophobicContact CG2-CD1 3.78Å; I219-L223 HydrophobicContact CG2-CG 4.4Å; I219-L223 VanDerWaalsContact O-CG 3.3Å; I219-L223 WeakPolarHBondContact O-CG 3.39Å; I219-L223 PolarHBondContact O-N 3.01Å; F220-L223 PolarHBondContact O-N 2.91Å; F220-L223 VanDerWaalsContact O-N 3.12Å; N221-L223 VanDerWaalsContact C-N 3.33Å; L223-M231 HydrophobicContact CB-CE 3.63Å; L223-M231 HydrophobicContact CD1-CE 4.04Å; L223-M231 HydrophobicContact CG-CE 4.49Å; L223-F239 HydrophobicContact CD1-CD2 3.58Å; L223-F239 HydrophobicContact CD1-CE2 3.55Å; L223-F239 HydrophobicContact CD1-CG 4.25Å; L223-F239 HydrophobicContact CD1-CZ 4.2Å; L223-F239 HydrophobicContact CD2-CD2 3.85Å; L223-F239 HydrophobicContact CD2-CE2 4.41Å; L223-F239 HydrophobicContact CG-CD2 4.37Å; L223-F286 HydrophobicContact CD1-CE2 4.19Å; L223-F286 HydrophobicContact CD1-CZ 3.74Å
224C91.8Very high91.9Very high13 Ų1359.7 Ų59.79%0.08833%0.326CS..SBendtrans-72156.1176.6-68.70000111.8F220 N221 Y230F220-C224 WeakPolarHBondContact CE1-SG 3.28Å; F220-C224 WeakPolarHBondContact CZ-SG 3.18Å; F220-C224 PolarHBondContact O-N 3.47Å; F220-C224 PolarHBondContact O-SG 3.01Å; N221-C224 PolarHBondContact O-N 3.34Å; C224-Y230 VanDerWaalsContact SG-C 3.51Å; C224-Y230 PolarHBondContact SG-O 3.44Å
225E86.7Confident92Very high81 Ų8160.2 Ų60.238%0.37932%0.324SS..PPolyproline II helixtrans-63.4142.1169-70.2160.8-153.600109.6G227 Q228 S232 R235E225-G227 PolarHBondContact O-N 3.49Å; E225-G227 VanDerWaalsContact O-N 3.1Å; E225-Q228 HydrophobicContact CB-CB 4.33Å; E225-Q228 HydrophobicContact CB-CG 3.96Å; E225-Q228 WeakPolarHBondContact O-CB 3.09Å; E225-Q228 PolarHBondContact O-N 3.4Å; E225-S232 PolarHBondContact OE1-OG 2.91Å; E225-R235 HydrophobicContact CG-CG 4.21Å
226Q83.1Confident92.1Very high201 Ų20159.7 Ų59.794%0.93932%0.321SS*.THydrogen-bonded Turntrans-52.7121.3-175.2-80.6-175.3-13.400111.4Q228Q226-Q228 VanDerWaalsContact C-N 3.34Å
227G81.7Confident92.1Very high81 Ų8160.8 Ų60.884%0.83533%0.328SS*.THydrogen-bonded Turntrans83.6-3.2179.300000115.7E225E225-G227 PolarHBondContact O-N 3.49Å; E225-G227 VanDerWaalsContact O-N 3.1Å
228Q87.9Confident92.2Very high73 Ų7363 Ų6334%0.34134%0.336SS..  trans-90.8135.4176.2-61.3-59.1-35.500111.4E225 Q226 Y230E225-Q228 HydrophobicContact CB-CB 4.33Å; E225-Q228 HydrophobicContact CB-CG 3.96Å; E225-Q228 WeakPolarHBondContact O-CB 3.09Å; E225-Q228 PolarHBondContact O-N 3.4Å; Q226-Q228 VanDerWaalsContact C-N 3.34Å; Q228-Y230 HydrophobicContact CB-CE1 4.29Å; Q228-Y230 PolarHBondContact O-N 3.01Å; Q228-Y230 PolarHBondContact OE1-OH 3.4Å
229P91Very high92.3Very high97 Ų9758.5 Ų58.563%0.6332%0.315SS*.SBendtrans-83.910.8176.234.5-35000113.4
230Y93.5Very high92.4Very high38 Ų3858.9 Ų58.915%0.14932%0.318CS..EExtended strand (participates in β ladder)trans-141.5157.2-17659.6-96.4000111.4C224 Q228 R280 M281C224-Y230 VanDerWaalsContact SG-C 3.51Å; C224-Y230 PolarHBondContact SG-O 3.44Å; Q228-Y230 HydrophobicContact CB-CE1 4.29Å; Q228-Y230 PolarHBondContact O-N 3.01Å; Q228-Y230 PolarHBondContact OE1-OH 3.4Å; Y230-R280 HydrophobicContact CD2-CB 3.97Å; Y230-R280 HydrophobicContact CD2-CG 3.56Å; Y230-R280 HydrophobicContact CE2-CG 3.84Å; Y230-R280 HydrophobicContact CG-CB 4.16Å; Y230-R280 HydrophobicContact CG-CG 4.08Å; Y230-R280 PolarHBondContact OH-NH2 3.49Å; Y230-M281 WeakPolarHBondContact CA-O 3.47Å
231M94.3Very high92.3Very high1 Ų160.3 Ų60.31%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-95.9128171-171.8-179.9-60.200109.7F220 L223 R235 L236 R280 M281 F286F220-M231 HydrophobicContact CD2-CE 4.11Å; F220-M231 HydrophobicContact CE2-CB 4.08Å; F220-M231 HydrophobicContact CE2-CE 4.2Å; L223-M231 HydrophobicContact CB-CE 3.63Å; L223-M231 HydrophobicContact CD1-CE 4.04Å; L223-M231 HydrophobicContact CG-CE 4.49Å; M231-R235 HydrophobicContact CG-CB 3.66Å; M231-L236 HydrophobicContact CG-CB 4.42Å; M231-L236 HydrophobicContact SD-CB 3.99Å; M231-L236 HydrophobicContact SD-CD1 4.01Å; M231-R280 WeakPolarHBondContact O-CA 3.33Å; M231-M281 HydrophobicContact CB-CB 4.38Å; M231-M281 PolarHBondContact N-O 2.97Å; M231-M281 PolarHBondContact O-N 3.23Å; M231-F286 HydrophobicContact CE-CD2 3.89Å; M231-F286 HydrophobicContact CE-CE2 3.81Å
232S94.7Very high92.3Very high19 Ų1962.6 Ų62.613%0.13333%0.334CS..EExtended strand (participates in β ladder)trans-74.3159.4174.858.80000111.6E225 D234 R235 L236E225-S232 PolarHBondContact OE1-OG 2.91Å; S232-D234 PolarHBondContact O-N 2.84Å; S232-R235 PolarHBondContact O-N 2.74Å; S232-R235 VanDerWaalsContact O-N 3.14Å; S232-R235 PolarHBondContact OG-N 2.88Å; S232-L236 PolarHBondContact O-N 3.02Å
233V95.5Very high92.4Very high23 Ų2357.9 Ų57.914%0.13931%0.31CS..Hα-helixtrans-51.6-44.2173.6-174.60000111.2R235 L236 V237 K259 A262 I266 G279V233-R235 PolarHBondContact O-N 3.33Å; V233-L236 PolarHBondContact O-N 2.86Å; V233-V237 HydrophobicContact CG1-CG2 4.43Å; V233-V237 WeakPolarHBondContact O-CG2 3.27Å; V233-V237 PolarHBondContact O-N 2.93Å; V233-K259 HydrophobicContact CG1-CB 4.25Å; V233-K259 HydrophobicContact CG1-CG 4.45Å; V233-A262 HydrophobicContact CG1-CB 3.88Å; V233-I266 HydrophobicContact CB-CD1 4.47Å; V233-I266 HydrophobicContact CG2-CD1 3.84Å; V233-G279 WeakPolarHBondContact CG2-O 3.48Å; V233-G279 PolarHBondContact N-O 2.87Å; V233-G279 VanDerWaalsContact N-O 3.16Å
234D94.7Very high92.5Very high88 Ų8856.4 Ų56.447%0.47130%0.302SS..Hα-helixtrans-64.5-40-178.6-71.2-56.4000112.1S232 V237 H238 K259S232-D234 PolarHBondContact O-N 2.84Å; D234-V237 PolarHBondContact O-N 2.87Å; D234-H238 PolarHBondContact O-N 3.26Å; D234-K259 WeakPolarHBondContact OD1-CE 3.47Å; D234-K259 IonicContact OD1-NZ 3.28Å; D234-K259 PolarHBondContact OD1-NZ 2.93Å; D234-K259 IonicContact OD2-NZ 3.82Å; D234-K259 PolarHBondContact OD2-NZ 3.45Å
235R94.5Very high92.5Very high107 Ų10758.5 Ų58.540%0.40431%0.308SS..Hα-helixtrans-67.2-37.4172.9-78.9-57.9-168.4-175.13.4112.9E225 M231 S232 V233 H238 F239E225-R235 HydrophobicContact CG-CG 4.21Å; M231-R235 HydrophobicContact CG-CB 3.66Å; S232-R235 PolarHBondContact O-N 2.74Å; S232-R235 VanDerWaalsContact O-N 3.14Å; S232-R235 PolarHBondContact OG-N 2.88Å; V233-R235 PolarHBondContact O-N 3.33Å; R235-H238 PolarHBondContact O-N 3.45Å; R235-F239 WeakPolarHBondContact O-CB 3.26Å; R235-F239 PolarHBondContact O-N 2.82Å
236L94.9Very high92.8Very high0 Ų054.8 Ų54.80%029%0.291CS..Hα-helixtrans-64.5-42.9174.7-178.261.6000111.6M231 S232 V233 H238 F239 V240 A262 L265 I266 M281M231-L236 HydrophobicContact CG-CB 4.42Å; M231-L236 HydrophobicContact SD-CB 3.99Å; M231-L236 HydrophobicContact SD-CD1 4.01Å; S232-L236 PolarHBondContact O-N 3.02Å; V233-L236 PolarHBondContact O-N 2.86Å; L236-H238 VanDerWaalsContact C-N 3.35Å; L236-H238 PolarHBondContact O-N 3.16Å; L236-F239 HydrophobicContact CD1-CD1 4.25Å; L236-F239 PolarHBondContact O-N 3.02Å; L236-V240 HydrophobicContact CD1-CG2 4.07Å; L236-V240 HydrophobicContact CG-CG2 4.41Å; L236-V240 VanDerWaalsContact O-CG2 3.3Å; L236-V240 WeakPolarHBondContact O-CG2 3.47Å; L236-V240 PolarHBondContact O-N 3.06Å; L236-A262 HydrophobicContact CD2-CB 4.15Å; L236-A262 HydrophobicContact CG-CB 4.32Å; L236-L265 HydrophobicContact CD2-CB 4.37Å; L236-I266 HydrophobicContact CD2-CD1 3.99Å; L236-I266 HydrophobicContact CD2-CG1 3.6Å; L236-M281 HydrophobicContact CD1-CE 4.49Å; L236-M281 HydrophobicContact CD1-SD 4.31Å; L236-M281 HydrophobicContact CD2-CE 3.8Å; L236-M281 HydrophobicContact CD2-SD 4.43Å
237V96.3Very high93.1Very high24 Ų2448.9 Ų48.915%0.14527%0.27CS..Hα-helixtrans-57.1-49.5174.3168.40000110.6V233 D234 V240 N241 C257 K259 A262V233-V237 HydrophobicContact CG1-CG2 4.43Å; V233-V237 WeakPolarHBondContact O-CG2 3.27Å; V233-V237 PolarHBondContact O-N 2.93Å; D234-V237 PolarHBondContact O-N 2.87Å; V237-V240 PolarHBondContact O-N 3.37Å; V237-N241 WeakPolarHBondContact O-CB 3.43Å; V237-N241 PolarHBondContact O-N 3.36Å; V237-N241 PolarHBondContact O-ND2 3.44Å; V237-C257 WeakPolarHBondContact CG1-O 3.38Å; V237-K259 HydrophobicContact CG2-CG 4.46Å; V237-A262 HydrophobicContact CG2-CB 3.46Å; V237-A262 VanDerWaalsContact CG2-CB 3.46Å
238H95.3Very high93.3Very high94 Ų9448.4 Ų48.444%0.43524%0.243SC..Hα-helixtrans-61-46.6178.1-179.370.6000111.9D234 R235 L236 V240 N241 E242D234-H238 PolarHBondContact O-N 3.26Å; R235-H238 PolarHBondContact O-N 3.45Å; L236-H238 VanDerWaalsContact C-N 3.35Å; L236-H238 PolarHBondContact O-N 3.16Å; H238-V240 PolarHBondContact O-N 3.23Å; H238-N241 PolarHBondContact O-N 3.45Å; H238-E242 VanDerWaalsContact CE1-CG 3.41Å; H238-E242 WeakPolarHBondContact CE1-CG 3.45Å; H238-E242 WeakPolarHBondContact ND1-CG 3.43Å; H238-E242 WeakPolarHBondContact O-CB 3.28Å; H238-E242 WeakPolarHBondContact O-CG 3.46Å; H238-E242 PolarHBondContact O-N 2.93Å
239F95.4Very high93.3Very high2 Ų246.6 Ų46.61%0.00924%0.236CC..Hα-helixtrans-58.5-47.1177.5171.1-112.7000112.4L223 R235 L236 N241 V243 Q244 F286 F289 L290 Y794L223-F239 HydrophobicContact CD1-CD2 3.58Å; L223-F239 HydrophobicContact CD1-CE2 3.55Å; L223-F239 HydrophobicContact CD1-CG 4.25Å; L223-F239 HydrophobicContact CD1-CZ 4.2Å; L223-F239 HydrophobicContact CD2-CD2 3.85Å; L223-F239 HydrophobicContact CD2-CE2 4.41Å; L223-F239 HydrophobicContact CG-CD2 4.37Å; R235-F239 WeakPolarHBondContact O-CB 3.26Å; R235-F239 PolarHBondContact O-N 2.82Å; L236-F239 HydrophobicContact CD1-CD1 4.25Å; L236-F239 PolarHBondContact O-N 3.02Å; F239-N241 PolarHBondContact O-N 2.96Å; F239-V243 HydrophobicContact CD2-CB 3.86Å; F239-V243 HydrophobicContact CD2-CG1 4.3Å; F239-V243 HydrophobicContact CD2-CG2 3.94Å; F239-V243 HydrophobicContact CE2-CB 3.97Å; F239-V243 HydrophobicContact CE2-CG1 3.93Å; F239-V243 HydrophobicContact CE2-CG2 4.38Å; F239-V243 VanDerWaalsContact O-CB 3.29Å; F239-V243 WeakPolarHBondContact O-CB 3.39Å; F239-V243 PolarHBondContact O-N 3.2Å; F239-Q244 HydrophobicContact CD1-CG 4.2Å; F239-Q244 HydrophobicContact CE1-CG 3.69Å; F239-Q244 HydrophobicContact CE2-CG 4.25Å; F239-Q244 HydrophobicContact CZ-CG 3.74Å; F239-Q244 PolarHBondContact O-N 3.12Å; F239-F286 HydrophobicContact CD1-CE2 4.03Å; F239-F286 AromaticContact CE1-CE2 3.48Å; F239-F286 HydrophobicContact CE1-CE2 3.48Å; F239-F286 VanDerWaalsContact CE1-CE2 3.48Å; F239-F286 AromaticContact CE1-CZ 3.97Å; F239-F286 HydrophobicContact CE1-CZ 3.97Å; F239-F286 HydrophobicContact CE2-CZ 4.39Å; F239-F286 AromaticContact CZ-CE2 3.76Å; F239-F286 HydrophobicContact CZ-CE2 3.76Å; F239-F286 AromaticContact CZ-CZ 3.73Å; F239-F286 HydrophobicContact CZ-CZ 3.73Å; F239-F289 AromaticContact CE1-CE1 3.98Å; F239-F289 HydrophobicContact CE1-CE1 3.98Å; F239-L290 HydrophobicContact CZ-CD2 4.42Å; F239-Y794 AromaticContact CE2-CD2 3.79Å; F239-Y794 HydrophobicContact CE2-CD2 3.79Å; F239-Y794 HydrophobicContact CE2-CE2 4.03Å; F239-Y794 AromaticContact CZ-CD2 3.99Å; F239-Y794 HydrophobicContact CZ-CD2 3.99Å
240V94.9Very high93.2Very high26 Ų2646 Ų4616%0.15823%0.227CC..Iπ-helixtrans-64.9-41.8-179.4173.70000111.1L236 V237 H238 Q244 R245 C257 L265L236-V240 HydrophobicContact CD1-CG2 4.07Å; L236-V240 HydrophobicContact CG-CG2 4.41Å; L236-V240 VanDerWaalsContact O-CG2 3.3Å; L236-V240 WeakPolarHBondContact O-CG2 3.47Å; L236-V240 PolarHBondContact O-N 3.06Å; V237-V240 PolarHBondContact O-N 3.37Å; H238-V240 PolarHBondContact O-N 3.23Å; V240-Q244 CarbonylContact O-C 3.52Å; V240-Q244 PolarHBondContact O-N 3.08Å; V240-R245 WeakPolarHBondContact O-CB 3.43Å; V240-R245 PolarHBondContact O-N 2.84Å; V240-C257 HydrophobicContact CB-CB 4.07Å; V240-C257 HydrophobicContact CG1-CB 3.62Å; V240-L265 HydrophobicContact CG2-CD1 4.4Å
241N94.6Very high93Very high33 Ų3351.2 Ų51.218%0.17625%0.253CS..Iπ-helixtrans-78.8-37.3-175.8-70.8-25.7000114.2V237 H238 F239 R245 C257V237-N241 WeakPolarHBondContact O-CB 3.43Å; V237-N241 PolarHBondContact O-N 3.36Å; V237-N241 PolarHBondContact O-ND2 3.44Å; H238-N241 PolarHBondContact O-N 3.45Å; F239-N241 PolarHBondContact O-N 2.96Å; N241-R245 VanDerWaalsContact O-CB 3.3Å; N241-R245 WeakPolarHBondContact O-CB 3.25Å; N241-C257 PolarHBondContact ND2-O 3.02Å; N241-C257 WeakPolarHBondContact OD1-CA 3.44Å; N241-C257 VanDerWaalsContact OD1-CB 3.23Å; N241-C257 WeakPolarHBondContact OD1-CB 3.37Å; N241-C257 PolarHBondContact OD1-N 3.43Å
242E93.5Very high92.7Very high135 Ų13557.7 Ų57.763%0.63129%0.286SS*.Iπ-helixtrans-92.5-32-175.3-61.2-54.5132.400113.2H238H238-E242 VanDerWaalsContact CE1-CG 3.41Å; H238-E242 WeakPolarHBondContact CE1-CG 3.45Å; H238-E242 WeakPolarHBondContact ND1-CG 3.43Å; H238-E242 WeakPolarHBondContact O-CB 3.28Å; H238-E242 WeakPolarHBondContact O-CG 3.46Å; H238-E242 PolarHBondContact O-N 2.93Å
243V94.6Very high92.4Very high40 Ų4063.1 Ų63.124%0.24231%0.313CS..Iπ-helixtrans-105.5-45.1-173.6-174.40000111.7F239 G793 Y794F239-V243 HydrophobicContact CD2-CB 3.86Å; F239-V243 HydrophobicContact CD2-CG1 4.3Å; F239-V243 HydrophobicContact CD2-CG2 3.94Å; F239-V243 HydrophobicContact CE2-CB 3.97Å; F239-V243 HydrophobicContact CE2-CG1 3.93Å; F239-V243 HydrophobicContact CE2-CG2 4.38Å; F239-V243 VanDerWaalsContact O-CB 3.29Å; F239-V243 WeakPolarHBondContact O-CB 3.39Å; F239-V243 PolarHBondContact O-N 3.2Å; V243-G793 WeakPolarHBondContact O-CA 3.38Å; V243-G793 PolarHBondContact O-N 2.67Å; V243-Y794 HydrophobicContact CG1-CD2 4.03Å; V243-Y794 HydrophobicContact CG1-CE2 3.88Å
244Q94.4Very high92Very high8 Ų866.3 Ų66.34%0.03732%0.323CS..Iπ-helixtrans-92-18.6-171.7-60.5-73.418.300114.1F239 V240 P792 Y794 R795F239-Q244 HydrophobicContact CD1-CG 4.2Å; F239-Q244 HydrophobicContact CE1-CG 3.69Å; F239-Q244 HydrophobicContact CE2-CG 4.25Å; F239-Q244 HydrophobicContact CZ-CG 3.74Å; F239-Q244 PolarHBondContact O-N 3.12Å; V240-Q244 CarbonylContact O-C 3.52Å; V240-Q244 PolarHBondContact O-N 3.08Å; Q244-P792 PolarHBondContact OE1-O 2.84Å; Q244-Y794 PolarHBondContact NE2-O 3.3Å; Q244-R795 PolarHBondContact O-NH2 2.71Å
245R91.9Very high91.8Very high57 Ų5764.9 Ų64.922%0.21532%0.319CS..SBendtrans-85.6139.3-177.3-170.9-179.3176.6-75.8-8.2111V240 N241 P247 L249 Y254 P792V240-R245 WeakPolarHBondContact O-CB 3.43Å; V240-R245 PolarHBondContact O-N 2.84Å; N241-R245 VanDerWaalsContact O-CB 3.3Å; N241-R245 WeakPolarHBondContact O-CB 3.25Å; R245-P247 VanDerWaalsContact O-CD 3.27Å; R245-P247 WeakPolarHBondContact O-CD 3.27Å; R245-L249 PolarHBondContact NH2-O 3.4Å; R245-Y254 PolarHBondContact NH2-O 2.95Å; R245-Y254 VanDerWaalsContact NH2-O 3.1Å; R245-P792 VanDerWaalsContact C-CG 3.44Å; R245-P792 VanDerWaalsContact O-CG 3.26Å; R245-P792 WeakPolarHBondContact O-CG 3.38Å
246D91.5Very high91.7Very high4 Ų462.2 Ų62.22%0.02132%0.32CS..  trans-74.2113169.4-171.9-11.9000110.9R248 L249 P792D246-R248 PolarHBondContact O-N 2.95Å; D246-R248 WeakPolarHBondContact OD1-CB 3.41Å; D246-R248 VanDerWaalsContact OD1-CG 3.28Å; D246-R248 WeakPolarHBondContact OD1-CG 3.41Å; D246-R248 IonicContact OD1-CZ 2.79Å; D246-R248 PolarHBondContact OD1-N 3.44Å; D246-R248 IonicContact OD1-NE 3.58Å; D246-R248 PolarHBondContact OD1-NE 3.22Å; D246-R248 IonicContact OD1-NH2 3.28Å; D246-R248 IonicContact OD2-CZ 3.66Å; D246-R248 IonicContact OD2-NE 3.83Å; D246-R248 PolarHBondContact OD2-NE 3.4Å; D246-R248 VanDerWaalsContact OD2-NE 3.14Å; D246-R248 IonicContact OD2-NH2 2.74Å; D246-R248 PolarHBondContact OD2-NH2 3Å; D246-L249 HydrophobicContact CB-CD1 3.82Å; D246-L249 HydrophobicContact CB-CG 3.8Å; D246-L249 PolarHBondContact O-N 3.15Å; D246-L249 VanDerWaalsContact O-N 3.14Å; D246-P792 HydrophobicContact CB-CG 4.08Å
247P89.7Confident91.5Very high77 Ų7763 Ų6350%0.532%0.324SS..THydrogen-bonded Turntrans-66.8-17.1179.429.4-35.7000112.5R245 L249 L818R245-P247 VanDerWaalsContact O-CD 3.27Å; R245-P247 WeakPolarHBondContact O-CD 3.27Å; P247-L249 VanDerWaalsContact C-N 3.26Å; P247-L249 PolarHBondContact O-N 3Å; P247-L818 WeakPolarHBondContact CD-O 3.38Å; P247-L818 WeakPolarHBondContact CG-O 3.36Å
248R86.9Confident91.4Very high71 Ų7165.3 Ų65.327%0.26834%0.336SS..THydrogen-bonded Turntrans-75.4-16.8176.9-52.8171.3-61166.69.1112.2D246D246-R248 PolarHBondContact O-N 2.95Å; D246-R248 WeakPolarHBondContact OD1-CB 3.41Å; D246-R248 VanDerWaalsContact OD1-CG 3.28Å; D246-R248 WeakPolarHBondContact OD1-CG 3.41Å; D246-R248 IonicContact OD1-CZ 2.79Å; D246-R248 PolarHBondContact OD1-N 3.44Å; D246-R248 IonicContact OD1-NE 3.58Å; D246-R248 PolarHBondContact OD1-NE 3.22Å; D246-R248 IonicContact OD1-NH2 3.28Å; D246-R248 IonicContact OD2-CZ 3.66Å; D246-R248 IonicContact OD2-NE 3.83Å; D246-R248 PolarHBondContact OD2-NE 3.4Å; D246-R248 VanDerWaalsContact OD2-NE 3.14Å; D246-R248 IonicContact OD2-NH2 2.74Å; D246-R248 PolarHBondContact OD2-NH2 3Å
249L87.8Confident91.4Very high35 Ų3566.2 Ų66.218%0.18334%0.339CS..SBendtrans-79.7133.6-179.9-67177.9000111.5R245 D246 P247 E251 Y254 L299R245-L249 PolarHBondContact NH2-O 3.4Å; D246-L249 HydrophobicContact CB-CD1 3.82Å; D246-L249 HydrophobicContact CB-CG 3.8Å; D246-L249 PolarHBondContact O-N 3.15Å; D246-L249 VanDerWaalsContact O-N 3.14Å; P247-L249 VanDerWaalsContact C-N 3.26Å; P247-L249 PolarHBondContact O-N 3Å; L249-E251 PolarHBondContact O-N 3.01Å; L249-Y254 HydrophobicContact CB-CD2 3.93Å; L249-Y254 HydrophobicContact CB-CG 4.13Å; L249-Y254 HydrophobicContact CD1-CD1 4.15Å; L249-Y254 HydrophobicContact CD1-CD2 4.36Å; L249-Y254 HydrophobicContact CD1-CG 4.06Å; L249-Y254 HydrophobicContact CD2-CD2 4.11Å; L249-Y254 HydrophobicContact CD2-CE2 3.97Å; L249-Y254 HydrophobicContact CG-CD2 4.36Å; L249-L299 HydrophobicContact CD1-CD1 4.5Å
250N89Confident91.4Very high84 Ų8470.5 Ų70.545%0.44937%0.367SS..  trans-59.1126.3176.9-176.5-78.8000111.2I252 L253 Y254N250-I252 VanDerWaalsContact C-N 3.29Å; N250-I252 PolarHBondContact O-N 2.93Å; N250-I252 WeakPolarHBondContact OD1-CB 3.27Å; N250-I252 PolarHBondContact OD1-N 2.91Å; N250-L253 HydrophobicContact CB-CB 4.32Å; N250-L253 HydrophobicContact CB-CD1 4.29Å; N250-L253 HydrophobicContact CB-CG 4.37Å; N250-L253 PolarHBondContact O-N 3.27Å; N250-L253 PolarHBondContact OD1-N 3.44Å; N250-Y254 WeakPolarHBondContact O-CB 3.49Å; N250-Y254 PolarHBondContact O-N 3.24Å
251E88Confident91.3Very high148 Ų14872 Ų7269%0.69237%0.372SS*.THydrogen-bonded Turntrans-65.9-23.1-175.962.7-164.6-175.600115.1L249 Y254 P255L249-E251 PolarHBondContact O-N 3.01Å; E251-Y254 CarbonylContact O-C 3.46Å; E251-P255 VanDerWaalsContact O-CA 3.23Å; E251-P255 WeakPolarHBondContact O-CA 3.48Å
252I88.8Confident91.3Very high137 Ų13770.5 Ų70.570%0.70336%0.363SS*.THydrogen-bonded Turntrans-81.3-44.1177.2-57.5175.1000110N250N250-I252 VanDerWaalsContact C-N 3.29Å; N250-I252 PolarHBondContact O-N 2.93Å; N250-I252 WeakPolarHBondContact OD1-CB 3.27Å; N250-I252 PolarHBondContact OD1-N 2.91Å
253L88.1Confident91.4Very high133 Ų13366.6 Ų66.670%0.69635%0.349SS*.THydrogen-bonded Turntrans-73-33.3178-63.8178.9000112.2N250N250-L253 HydrophobicContact CB-CB 4.32Å; N250-L253 HydrophobicContact CB-CD1 4.29Å; N250-L253 HydrophobicContact CB-CG 4.37Å; N250-L253 PolarHBondContact O-N 3.27Å; N250-L253 PolarHBondContact OD1-N 3.44Å
254Y87.8Confident91.4Very high90 Ų9069.5 Ų69.535%0.35336%0.363SS..SBendtrans-125.879.3179.4-60.5-88.9000109.9R245 L249 N250 E251R245-Y254 PolarHBondContact NH2-O 2.95Å; R245-Y254 VanDerWaalsContact NH2-O 3.1Å; L249-Y254 HydrophobicContact CB-CD2 3.93Å; L249-Y254 HydrophobicContact CB-CG 4.13Å; L249-Y254 HydrophobicContact CD1-CD1 4.15Å; L249-Y254 HydrophobicContact CD1-CD2 4.36Å; L249-Y254 HydrophobicContact CD1-CG 4.06Å; L249-Y254 HydrophobicContact CD2-CD2 4.11Å; L249-Y254 HydrophobicContact CD2-CE2 3.97Å; L249-Y254 HydrophobicContact CG-CD2 4.36Å; N250-Y254 WeakPolarHBondContact O-CB 3.49Å; N250-Y254 PolarHBondContact O-N 3.24Å; E251-Y254 CarbonylContact O-C 3.46Å
255P90.4Very high91.3Very high58 Ų5870.4 Ų70.438%0.37737%0.368SS..PPolyproline II helixtrans-63.2139.5-175.4-16.929.1000111.9E251 K261E251-P255 VanDerWaalsContact O-CA 3.23Å; E251-P255 WeakPolarHBondContact O-CA 3.48Å; P255-K261 PolarHBondContact O-NZ 3.28Å
256A91Very high91.5Very high51 Ų5167.7 Ų67.742%0.42136%0.358SS..PPolyproline II helixtrans-53.2155.9175.400000112.6D258 K261A256-D258 PolarHBondContact O-N 3.49Å; A256-K261 PolarHBondContact O-NZ 3.48Å
257C92.7Very high91.7Very high15 Ų1570.6 Ų70.610%0.10138%0.378CS..PPolyproline II helixtrans-66.8126.9169.8-167.90000109V237 V240 N241V237-C257 WeakPolarHBondContact CG1-O 3.38Å; V240-C257 HydrophobicContact CB-CB 4.07Å; V240-C257 HydrophobicContact CG1-CB 3.62Å; N241-C257 PolarHBondContact ND2-O 3.02Å; N241-C257 WeakPolarHBondContact OD1-CA 3.44Å; N241-C257 VanDerWaalsContact OD1-CB 3.23Å; N241-C257 WeakPolarHBondContact OD1-CB 3.37Å; N241-C257 PolarHBondContact OD1-N 3.43Å
258D93.8Very high91.9Very high74 Ų7471.9 Ų71.940%0.39638%0.376SS..  trans-108174.2173.757.615.6000109.7A256 P260 K261 A262A256-D258 PolarHBondContact O-N 3.49Å; D258-P260 WeakPolarHBondContact OD1-CD 3.36Å; D258-K261 PolarHBondContact O-N 3.06Å; D258-K261 VanDerWaalsContact OD1-CB 3.28Å; D258-K261 WeakPolarHBondContact OD1-CB 3.25Å; D258-K261 WeakPolarHBondContact OD1-CD 3.43Å; D258-K261 WeakPolarHBondContact OD1-CG 3.39Å; D258-K261 PolarHBondContact OD1-N 3.5Å; D258-A262 PolarHBondContact O-N 3.22Å
259K94.5Very high92.1Very high113 Ų11369.5 Ų69.549%0.49137%0.367SS..Hα-helixtrans-55.5-46179.1-61-170.9-177.9-146.40112.5V233 D234 V237 K261 A262 T263V233-K259 HydrophobicContact CG1-CB 4.25Å; V233-K259 HydrophobicContact CG1-CG 4.45Å; D234-K259 WeakPolarHBondContact OD1-CE 3.47Å; D234-K259 IonicContact OD1-NZ 3.28Å; D234-K259 PolarHBondContact OD1-NZ 2.93Å; D234-K259 IonicContact OD2-NZ 3.82Å; D234-K259 PolarHBondContact OD2-NZ 3.45Å; V237-K259 HydrophobicContact CG2-CG 4.46Å; K259-K261 PolarHBondContact O-N 3.45Å; K259-A262 PolarHBondContact O-N 3.3Å; K259-T263 PolarHBondContact O-N 2.98Å; K259-T263 PolarHBondContact O-OG1 3.32Å
260P95.4Very high92.5Very high92 Ų9268.4 Ų68.460%0.59736%0.361SS*.Hα-helixtrans-56.2-45.1176.4-26.534.4000114.1D258 T263 N264D258-P260 WeakPolarHBondContact OD1-CD 3.36Å; P260-T263 PolarHBondContact O-N 3.44Å; P260-N264 PolarHBondContact O-N 3.45Å
261K92.6Very high92.5Very high58 Ų5867.1 Ų67.125%0.25236%0.357SS..Hα-helixtrans-63.6-44.5176.2-73.3169.7-173.2176.50111.7P255 A256 D258 K259 T263 N264 L265P255-K261 PolarHBondContact O-NZ 3.28Å; A256-K261 PolarHBondContact O-NZ 3.48Å; D258-K261 PolarHBondContact O-N 3.06Å; D258-K261 VanDerWaalsContact OD1-CB 3.28Å; D258-K261 WeakPolarHBondContact OD1-CB 3.25Å; D258-K261 WeakPolarHBondContact OD1-CD 3.43Å; D258-K261 WeakPolarHBondContact OD1-CG 3.39Å; D258-K261 PolarHBondContact OD1-N 3.5Å; K259-K261 PolarHBondContact O-N 3.45Å; K261-T263 PolarHBondContact O-N 3.05Å; K261-N264 WeakPolarHBondContact O-CB 3.46Å; K261-N264 PolarHBondContact O-N 3.43Å; K261-L265 PolarHBondContact O-N 2.89Å
262A94.6Very high92.7Very high0 Ų064.9 Ų64.90%035%0.349CS..Hα-helixtrans-63.1-40.5177.400000112.1V233 L236 V237 D258 K259 N264 L265 I266V233-A262 HydrophobicContact CG1-CB 3.88Å; L236-A262 HydrophobicContact CD2-CB 4.15Å; L236-A262 HydrophobicContact CG-CB 4.32Å; V237-A262 HydrophobicContact CG2-CB 3.46Å; V237-A262 VanDerWaalsContact CG2-CB 3.46Å; D258-A262 PolarHBondContact O-N 3.22Å; K259-A262 PolarHBondContact O-N 3.3Å; A262-N264 VanDerWaalsContact C-N 3.32Å; A262-N264 PolarHBondContact O-N 2.96Å; A262-L265 WeakPolarHBondContact O-CB 3.12Å; A262-L265 PolarHBondContact O-N 3.43Å; A262-I266 WeakPolarHBondContact O-CG1 3.4Å; A262-I266 PolarHBondContact O-N 3.34Å
263T95.2Very high92.9Very high54 Ų5464.8 Ų64.833%0.33135%0.346SS..Hα-helixtrans-62.3-39.9173.9-56.30000111.5K259 P260 K261 I266 S267K259-T263 PolarHBondContact O-N 2.98Å; K259-T263 PolarHBondContact O-OG1 3.32Å; P260-T263 PolarHBondContact O-N 3.44Å; K261-T263 PolarHBondContact O-N 3.05Å; T263-I266 WeakPolarHBondContact O-CB 3.26Å; T263-I266 PolarHBondContact O-N 3.06Å; T263-S267 PolarHBondContact O-N 2.99Å; T263-S267 PolarHBondContact O-OG 3.36Å
264N94.6Very high93.3Very high101 Ų10165.3 Ų65.354%0.5435%0.345SS..Hα-helixtrans-63.1-42.8175.2-165.8-17.1000111.7P260 K261 A262 I266 S267 K268P260-N264 PolarHBondContact O-N 3.45Å; K261-N264 WeakPolarHBondContact O-CB 3.46Å; K261-N264 PolarHBondContact O-N 3.43Å; A262-N264 VanDerWaalsContact C-N 3.32Å; A262-N264 PolarHBondContact O-N 2.96Å; N264-I266 VanDerWaalsContact C-N 3.32Å; N264-I266 PolarHBondContact O-N 3.21Å; N264-S267 PolarHBondContact O-N 3Å; N264-K268 WeakPolarHBondContact O-CB 3.37Å; N264-K268 PolarHBondContact O-N 3.19Å
265L93.9Very high93.6Very high27 Ų2762.3 Ų62.314%0.14134%0.335CS..Hα-helixtrans-58.2-43.6172.7-70.9172000111.8L236 V240 K261 A262 K268 Y269 F289 D294L236-L265 HydrophobicContact CD2-CB 4.37Å; V240-L265 HydrophobicContact CG2-CD1 4.4Å; K261-L265 PolarHBondContact O-N 2.89Å; A262-L265 WeakPolarHBondContact O-CB 3.12Å; A262-L265 PolarHBondContact O-N 3.43Å; L265-K268 PolarHBondContact O-N 3.3Å; L265-Y269 HydrophobicContact CD2-CD2 4.4Å; L265-Y269 HydrophobicContact CD2-CE2 3.88Å; L265-Y269 WeakPolarHBondContact O-CD2 3.45Å; L265-Y269 PolarHBondContact O-N 3.25Å; L265-Y269 VanDerWaalsContact O-N 3.11Å; L265-F289 HydrophobicContact CD1-CE2 4.31Å; L265-F289 HydrophobicContact CD2-CD2 4.26Å; L265-F289 HydrophobicContact CD2-CE2 4.09Å; L265-D294 HydrophobicContact CD2-CB 4.33Å
266I95.8Very high93.7Very high0 Ų061.1 Ų61.10%033%0.327CS..Hα-helixtrans-60.4-50.5175.4-66.1168.6000110.2V233 L236 A262 T263 N264 K268 Y269 E270 V276 R280 M281V233-I266 HydrophobicContact CB-CD1 4.47Å; V233-I266 HydrophobicContact CG2-CD1 3.84Å; L236-I266 HydrophobicContact CD2-CD1 3.99Å; L236-I266 HydrophobicContact CD2-CG1 3.6Å; A262-I266 WeakPolarHBondContact O-CG1 3.4Å; A262-I266 PolarHBondContact O-N 3.34Å; T263-I266 WeakPolarHBondContact O-CB 3.26Å; T263-I266 PolarHBondContact O-N 3.06Å; N264-I266 VanDerWaalsContact C-N 3.32Å; N264-I266 PolarHBondContact O-N 3.21Å; I266-K268 PolarHBondContact O-N 2.84Å; I266-Y269 PolarHBondContact O-N 3.42Å; I266-E270 HydrophobicContact CG2-CB 4Å; I266-E270 WeakPolarHBondContact O-CB 3.42Å; I266-E270 PolarHBondContact O-N 3.24Å; I266-V276 HydrophobicContact CG2-CG2 4.47Å; I266-R280 WeakPolarHBondContact CG2-O 3.21Å; I266-M281 HydrophobicContact CG1-CB 4.25Å; I266-M281 HydrophobicContact CG1-CE 3.91Å
267S95.4Very high93.9Very high64 Ų6466.2 Ų66.245%0.44834%0.339SS..Hα-helixtrans-59.1-31.9178.9-62.90000113.3T263 N264 V276T263-S267 PolarHBondContact O-N 2.99Å; T263-S267 PolarHBondContact O-OG 3.36Å; N264-S267 PolarHBondContact O-N 3Å; S267-V276 WeakPolarHBondContact OG-CG1 3.16Å
268K92.7Very high94Very high104 Ų10470 Ų7045%0.45236%0.358SS..Hα-helixtrans-76.6-36.8-179.9-171.5176.2174.9-166.60113N264 L265 I266 D294N264-K268 WeakPolarHBondContact O-CB 3.37Å; N264-K268 PolarHBondContact O-N 3.19Å; L265-K268 PolarHBondContact O-N 3.3Å; I266-K268 PolarHBondContact O-N 2.84Å; K268-D294 IonicContact NZ-OD1 2.71Å; K268-D294 PolarHBondContact NZ-OD1 2.89Å; K268-D294 IonicContact NZ-OD2 2.84Å; K268-D294 PolarHBondContact NZ-OD2 2.79Å
269Y92.7Very high94Very high22 Ų2267 Ų679%0.08635%0.345CS..Hα-helixtrans-113.2-25.1-168.1-63.5-63000115.4L265 I266 P271 R288 F289 S292 D294L265-Y269 HydrophobicContact CD2-CD2 4.4Å; L265-Y269 HydrophobicContact CD2-CE2 3.88Å; L265-Y269 WeakPolarHBondContact O-CD2 3.45Å; L265-Y269 PolarHBondContact O-N 3.25Å; L265-Y269 VanDerWaalsContact O-N 3.11Å; I266-Y269 PolarHBondContact O-N 3.42Å; Y269-P271 WeakPolarHBondContact O-CD 3.41Å; Y269-R288 HydrophobicContact CD1-CB 4.22Å; Y269-R288 VanDerWaalsContact O-CD 3.28Å; Y269-R288 WeakPolarHBondContact O-CD 3.46Å; Y269-F289 HydrophobicContact CD2-CB 3.99Å; Y269-F289 AromaticContact CD2-CD2 3.97Å; Y269-F289 HydrophobicContact CD2-CD2 3.97Å; Y269-F289 HydrophobicContact CD2-CG 4.48Å; Y269-F289 AromaticContact CE2-CD2 3.88Å; Y269-F289 HydrophobicContact CE2-CD2 3.88Å; Y269-F289 HydrophobicContact CG-CB 4.15Å; Y269-S292 WeakPolarHBondContact CE1-OG 3.47Å; Y269-S292 VanDerWaalsContact CZ-CB 3.49Å; Y269-S292 VanDerWaalsContact OH-CB 3.29Å; Y269-S292 WeakPolarHBondContact OH-CB 3.38Å; Y269-S292 PolarHBondContact OH-OG 3.21Å; Y269-D294 HydrophobicContact CE2-CB 4.4Å; Y269-D294 WeakPolarHBondContact CE2-OD2 3.13Å; Y269-D294 VanDerWaalsContact OH-CG 3.25Å; Y269-D294 PolarHBondContact OH-OD2 2.7Å
270E95Very high94Very high11 Ų1165.3 Ų65.35%0.05134%0.335CS..  trans-74122.6-178.6178.457.6-147.800111.1I266 L272 N275 V276 S282I266-E270 HydrophobicContact CG2-CB 4Å; I266-E270 WeakPolarHBondContact O-CB 3.42Å; I266-E270 PolarHBondContact O-N 3.24Å; E270-L272 PolarHBondContact OE1-N 3.01Å; E270-N275 HydrophobicContact CG-CB 3.62Å; E270-N275 PolarHBondContact OE1-ND2 2.89Å; E270-V276 HydrophobicContact CB-CG2 3.77Å; E270-V276 HydrophobicContact CG-CG2 3.88Å; E270-S282 VanDerWaalsContact CD-OG 3.25Å; E270-S282 WeakPolarHBondContact OE1-CB 3.28Å; E270-S282 PolarHBondContact OE1-OG 3.14Å; E270-S282 WeakPolarHBondContact OE2-CB 3.39Å; E270-S282 PolarHBondContact OE2-N 3.41Å; E270-S282 PolarHBondContact OE2-OG 3.21Å
271P90.1Very high94.1Very high58 Ų5861 Ų6138%0.37731%0.307SS..SBendtrans-74.8-27.8-178.527.8-35.3000114Y269Y269-P271 WeakPolarHBondContact O-CD 3.41Å
272L92.4Very high94.2Very high100 Ų10059 Ų5952%0.52430%0.3SS..  trans-91.1113.5-176.3-72.8161.6000110.6E270 E274 N275 V276E270-L272 PolarHBondContact OE1-N 3.01Å; L272-E274 PolarHBondContact O-N 3.46Å; L272-E274 VanDerWaalsContact O-N 3.15Å; L272-N275 HydrophobicContact CB-CB 4.19Å; L272-N275 WeakPolarHBondContact O-CB 3.15Å; L272-N275 PolarHBondContact O-N 3.21Å; L272-V276 PolarHBondContact O-N 3.23Å; L272-V276 VanDerWaalsContact O-N 3.12Å
273E93.3Very high94.2Very high136 Ų13661 Ų6164%0.63631%0.308SS*.Hα-helixtrans-54.2-34.7177.6-106.8-164.9-159.800113.6N275 V276 K277E273-N275 VanDerWaalsContact C-N 3.35Å; E273-V276 PolarHBondContact O-N 3.16Å; E273-K277 WeakPolarHBondContact O-CG 3.34Å; E273-K277 PolarHBondContact O-N 2.97Å; E273-K277 IonicContact OE2-NZ 3.28Å; E273-K277 PolarHBondContact OE2-NZ 3.32Å
274E94.8Very high94.1Very high144 Ų14459 Ų5967%0.67330%0.297SS*.Hα-helixtrans-62.9-42.9178-170.1179.617500111.4L272 K277 L278L272-E274 PolarHBondContact O-N 3.46Å; L272-E274 VanDerWaalsContact O-N 3.15Å; E274-K277 PolarHBondContact O-N 3.37Å; E274-L278 HydrophobicContact CG-CD1 4.29Å; E274-L278 WeakPolarHBondContact O-CG 3.41Å; E274-L278 PolarHBondContact O-N 2.81Å; E274-L278 VanDerWaalsContact O-N 3.09Å
275N94.2Very high94Very high26 Ų2654.2 Ų54.214%0.13927%0.271CS..Hα-helixtrans-66.3-40.2175.7-76.5-21.6000111.3E270 L272 E273 K277 L278 G279 R280E270-N275 HydrophobicContact CG-CB 3.62Å; E270-N275 PolarHBondContact OE1-ND2 2.89Å; L272-N275 HydrophobicContact CB-CB 4.19Å; L272-N275 WeakPolarHBondContact O-CB 3.15Å; L272-N275 PolarHBondContact O-N 3.21Å; E273-N275 VanDerWaalsContact C-N 3.35Å; N275-K277 PolarHBondContact O-N 3.45Å; N275-L278 CarbonylContact O-C 3.42Å; N275-L278 PolarHBondContact O-N 3.1Å; N275-G279 PolarHBondContact O-N 2.98Å; N275-R280 CarbonylContact C-O 3.58Å; N275-R280 HydrophobicContact CB-CB 4.16Å; N275-R280 WeakPolarHBondContact CB-O 3.27Å; N275-R280 PolarHBondContact O-N 3.26Å
276V94.2Very high94.1Very high34 Ų3453 Ų5321%0.20627%0.265CS..Hα-helixtrans-58-48174.9178.10000110.9I266 S267 E270 L272 E273 L278 G279I266-V276 HydrophobicContact CG2-CG2 4.47Å; S267-V276 WeakPolarHBondContact OG-CG1 3.16Å; E270-V276 HydrophobicContact CB-CG2 3.77Å; E270-V276 HydrophobicContact CG-CG2 3.88Å; L272-V276 PolarHBondContact O-N 3.23Å; L272-V276 VanDerWaalsContact O-N 3.12Å; E273-V276 PolarHBondContact O-N 3.16Å; V276-L278 VanDerWaalsContact C-N 3.26Å; V276-L278 PolarHBondContact O-N 2.83Å; V276-G279 PolarHBondContact O-N 3.11Å; V276-G279 VanDerWaalsContact O-N 3.11Å
277K93.8Very high93.9Very high158 Ų15853 Ų5369%0.68727%0.265SS*.Hα-helixtrans-61.4-34178.6-72.4167.8-170.9157.80112.5E273 E274 N275E273-K277 WeakPolarHBondContact O-CG 3.34Å; E273-K277 PolarHBondContact O-N 2.97Å; E273-K277 IonicContact OE2-NZ 3.28Å; E273-K277 PolarHBondContact OE2-NZ 3.32Å; E274-K277 PolarHBondContact O-N 3.37Å; N275-K277 PolarHBondContact O-N 3.45Å
278L94.8Very high93.7Very high94 Ų9453.5 Ų53.549%0.49226%0.257SS..THydrogen-bonded Turntrans-87.1-1.3178.5-65.8173.2000113.9E274 N275 V276 R280E274-L278 HydrophobicContact CG-CD1 4.29Å; E274-L278 WeakPolarHBondContact O-CG 3.41Å; E274-L278 PolarHBondContact O-N 2.81Å; E274-L278 VanDerWaalsContact O-N 3.09Å; N275-L278 CarbonylContact O-C 3.42Å; N275-L278 PolarHBondContact O-N 3.1Å; V276-L278 VanDerWaalsContact C-N 3.26Å; V276-L278 PolarHBondContact O-N 2.83Å; L278-R280 HydrophobicContact CB-CG 4Å
279G93.9Very high93.7Very high11 Ų1148.9 Ų48.911%0.11324%0.237CC..THydrogen-bonded Turntrans64.339.7-175.400000112.8V233 N275 V276V233-G279 WeakPolarHBondContact CG2-O 3.48Å; V233-G279 PolarHBondContact N-O 2.87Å; V233-G279 VanDerWaalsContact N-O 3.16Å; N275-G279 PolarHBondContact O-N 2.98Å; V276-G279 PolarHBondContact O-N 3.11Å; V276-G279 VanDerWaalsContact O-N 3.11Å
280R95.5Very high93.7Very high78 Ų7847.9 Ų47.929%0.29423%0.233SC..EExtended strand (participates in β ladder)trans-115.8140.8-178.7-64.5176.3178.5175.5-3109.9Y230 M231 I266 N275 L278Y230-R280 HydrophobicContact CD2-CB 3.97Å; Y230-R280 HydrophobicContact CD2-CG 3.56Å; Y230-R280 HydrophobicContact CE2-CG 3.84Å; Y230-R280 HydrophobicContact CG-CB 4.16Å; Y230-R280 HydrophobicContact CG-CG 4.08Å; Y230-R280 PolarHBondContact OH-NH2 3.49Å; M231-R280 WeakPolarHBondContact O-CA 3.33Å; I266-R280 WeakPolarHBondContact CG2-O 3.21Å; N275-R280 CarbonylContact C-O 3.58Å; N275-R280 HydrophobicContact CB-CB 4.16Å; N275-R280 WeakPolarHBondContact CB-O 3.27Å; N275-R280 PolarHBondContact O-N 3.26Å; L278-R280 HydrophobicContact CB-CG 4Å
281M96.1Very high93.3Very high0 Ų049.1 Ų49.10%024%0.239CC..EExtended strand (participates in β ladder)trans-112.1123.1170.9-172.6174.9-81.800109.4Y230 M231 L236 I266 F286Y230-M281 WeakPolarHBondContact CA-O 3.47Å; M231-M281 HydrophobicContact CB-CB 4.38Å; M231-M281 PolarHBondContact N-O 2.97Å; M231-M281 PolarHBondContact O-N 3.23Å; L236-M281 HydrophobicContact CD1-CE 4.49Å; L236-M281 HydrophobicContact CD1-SD 4.31Å; L236-M281 HydrophobicContact CD2-CE 3.8Å; L236-M281 HydrophobicContact CD2-SD 4.43Å; I266-M281 HydrophobicContact CG1-CB 4.25Å; I266-M281 HydrophobicContact CG1-CE 3.91Å; M281-F286 HydrophobicContact CG-CB 4.29Å; M281-F286 HydrophobicContact SD-CB 4.04Å; M281-F286 HydrophobicContact SD-CD2 4.21Å
282S95.8Very high93.1Very high17 Ų1746.9 Ų46.912%0.11923%0.226CC..EExtended strand (participates in β ladder)trans-78.1168.317370.10000111.1F220 E270 S284 G285 F286F220-S282 VanDerWaalsContact CZ-C 3.46Å; E270-S282 VanDerWaalsContact CD-OG 3.25Å; E270-S282 WeakPolarHBondContact OE1-CB 3.28Å; E270-S282 PolarHBondContact OE1-OG 3.14Å; E270-S282 WeakPolarHBondContact OE2-CB 3.39Å; E270-S282 PolarHBondContact OE2-N 3.41Å; E270-S282 PolarHBondContact OE2-OG 3.21Å; S282-S284 PolarHBondContact O-N 3.12Å; S282-S284 PolarHBondContact OG-N 2.77Å; S282-G285 PolarHBondContact O-N 3.02Å; S282-G285 VanDerWaalsContact O-N 3.11Å; S282-G285 PolarHBondContact OG-N 3.19Å; S282-F286 WeakPolarHBondContact O-CB 3.15Å; S282-F286 PolarHBondContact O-N 3.15Å
283Y94.6Very high92.3Very high41 Ų4144.1 Ų44.116%0.16121%0.21CC..Hα-helixtrans-53.2-38.1170.3168.8-113.3000112.1R213 I216 L217 F220 F286 L287R213-Y283 WeakPolarHBondContact CB-OH 3.46Å; R213-Y283 PolarHBondContact O-OH 3.34Å; I216-Y283 HydrophobicContact CB-CE2 4.28Å; I216-Y283 HydrophobicContact CG2-CE2 3.9Å; L217-Y283 HydrophobicContact CB-CD2 4.43Å; L217-Y283 HydrophobicContact CB-CE2 3.87Å; L217-Y283 HydrophobicContact CD1-CD1 4.17Å; L217-Y283 HydrophobicContact CD1-CD2 3.76Å; L217-Y283 HydrophobicContact CD1-CE1 4.4Å; L217-Y283 HydrophobicContact CD1-CE2 4.02Å; L217-Y283 HydrophobicContact CD1-CG 3.85Å; F220-Y283 HydrophobicContact CB-CD2 3.97Å; F220-Y283 HydrophobicContact CD1-CD2 4.23Å; F220-Y283 HydrophobicContact CD1-CG 4.48Å; F220-Y283 HydrophobicContact CG-CD2 4.05Å; Y283-F286 PolarHBondContact O-N 3.48Å; Y283-L287 WeakPolarHBondContact O-CB 3.42Å; Y283-L287 PolarHBondContact O-N 3.25Å
284S92.2Very high91.9Very high14 Ų1441 Ų4110%0.09820%0.197CC..Hα-helixtrans-67.4-41.6178.6-168.30000111.9R208 S282 R288R208-S284 PolarHBondContact NH1-OG 2.92Å; S282-S284 PolarHBondContact O-N 3.12Å; S282-S284 PolarHBondContact OG-N 2.77Å; S284-R288 WeakPolarHBondContact O-CG 3.48Å; S284-R288 PolarHBondContact O-N 3.14Å; S284-R288 VanDerWaalsContact O-N 3.12Å
285G93.3Very high91.7Very high0 Ų034.2 Ų34.20%017%0.166CC..Hα-helixtrans-64.8-40.8174.600000112S282 R288 F289S282-G285 PolarHBondContact O-N 3.02Å; S282-G285 VanDerWaalsContact O-N 3.11Å; S282-G285 PolarHBondContact OG-N 3.19Å; G285-R288 PolarHBondContact O-N 2.75Å; G285-F289 PolarHBondContact O-N 2.95Å
286F95.3Very high91.4Very high0 Ų033.3 Ų33.30%016%0.162CC..Hα-helixtrans-64.2-43.7177.5-175.9-106.9000112.8I216 F220 L223 M231 F239 M281 S282 Y283 R288 F289 L290I216-F286 HydrophobicContact CG2-CD1 3.97Å; I216-F286 HydrophobicContact CG2-CE1 3.96Å; F220-F286 HydrophobicContact CB-CD1 4.02Å; F220-F286 HydrophobicContact CB-CE1 4.25Å; F220-F286 HydrophobicContact CD2-CB 3.6Å; F220-F286 AromaticContact CD2-CD1 3.67Å; F220-F286 HydrophobicContact CD2-CD1 3.67Å; F220-F286 HydrophobicContact CD2-CD2 4.24Å; F220-F286 HydrophobicContact CD2-CE1 4.37Å; F220-F286 AromaticContact CD2-CG 3.58Å; F220-F286 HydrophobicContact CD2-CG 3.58Å; F220-F286 HydrophobicContact CE2-CB 3.78Å; F220-F286 HydrophobicContact CE2-CG 4.17Å; F220-F286 HydrophobicContact CG-CD1 4.29Å; L223-F286 HydrophobicContact CD1-CE2 4.19Å; L223-F286 HydrophobicContact CD1-CZ 3.74Å; M231-F286 HydrophobicContact CE-CD2 3.89Å; M231-F286 HydrophobicContact CE-CE2 3.81Å; F239-F286 HydrophobicContact CD1-CE2 4.03Å; F239-F286 AromaticContact CE1-CE2 3.48Å; F239-F286 HydrophobicContact CE1-CE2 3.48Å; F239-F286 VanDerWaalsContact CE1-CE2 3.48Å; F239-F286 AromaticContact CE1-CZ 3.97Å; F239-F286 HydrophobicContact CE1-CZ 3.97Å; F239-F286 HydrophobicContact CE2-CZ 4.39Å; F239-F286 AromaticContact CZ-CE2 3.76Å; F239-F286 HydrophobicContact CZ-CE2 3.76Å; F239-F286 AromaticContact CZ-CZ 3.73Å; F239-F286 HydrophobicContact CZ-CZ 3.73Å; M281-F286 HydrophobicContact CG-CB 4.29Å; M281-F286 HydrophobicContact SD-CB 4.04Å; M281-F286 HydrophobicContact SD-CD2 4.21Å; S282-F286 WeakPolarHBondContact O-CB 3.15Å; S282-F286 PolarHBondContact O-N 3.15Å; Y283-F286 PolarHBondContact O-N 3.48Å; F286-R288 VanDerWaalsContact C-N 3.34Å; F286-R288 PolarHBondContact O-N 2.96Å; F286-F289 WeakPolarHBondContact O-CB 3.48Å; F286-F289 PolarHBondContact O-N 2.72Å; F286-L290 HydrophobicContact CD1-CD1 3.95Å; F286-L290 HydrophobicContact CD1-CG 4.45Å; F286-L290 HydrophobicContact CE1-CD1 3.41Å; F286-L290 VanDerWaalsContact CE1-CD1 3.41Å; F286-L290 HydrophobicContact CE1-CG 4.12Å; F286-L290 HydrophobicContact CZ-CD1 3.8Å; F286-L290 HydrophobicContact CZ-CD2 4.4Å; F286-L290 HydrophobicContact CZ-CG 4.17Å; F286-L290 PolarHBondContact O-N 3.3Å
287L92.6Very high91.3Very high2 Ų232.3 Ų32.31%0.0116%0.157CC..Hα-helixtrans-62-42.3175.1-178.762000111.6R208 R213 I216 Y283 F289 L290 I291R208-L287 HydrophobicContact CG-CD2 4.24Å; R213-L287 HydrophobicContact CG-CD1 4.41Å; I216-L287 HydrophobicContact CB-CD1 4.49Å; I216-L287 HydrophobicContact CD1-CD1 3.37Å; I216-L287 HydrophobicContact CG1-CD1 4.48Å; I216-L287 HydrophobicContact CG2-CD1 4.24Å; Y283-L287 WeakPolarHBondContact O-CB 3.42Å; Y283-L287 PolarHBondContact O-N 3.25Å; L287-F289 VanDerWaalsContact C-N 3.35Å; L287-L290 PolarHBondContact O-N 2.9Å; L287-I291 HydrophobicContact CD1-CD1 3.75Å; L287-I291 HydrophobicContact CD1-CG1 4.32Å; L287-I291 HydrophobicContact CG-CD1 3.85Å; L287-I291 WeakPolarHBondContact O-CG1 3.24Å; L287-I291 PolarHBondContact O-N 2.91Å; L287-I291 VanDerWaalsContact O-N 3.16Å
288R91Very high91.2Very high74 Ų7425.1 Ų25.128%0.27913%0.125SC..Hα-helixtrans-61-43.5174.8-74.7175.8177.9-160.62.1111.6Y204 Y269 S284 G285 F286 I291 S292Y204-R288 HydrophobicContact CE1-CG 3.94Å; Y204-R288 HydrophobicContact CE2-CG 4.45Å; Y204-R288 WeakPolarHBondContact OH-CG 3.4Å; Y269-R288 HydrophobicContact CD1-CB 4.22Å; Y269-R288 VanDerWaalsContact O-CD 3.28Å; Y269-R288 WeakPolarHBondContact O-CD 3.46Å; S284-R288 WeakPolarHBondContact O-CG 3.48Å; S284-R288 PolarHBondContact O-N 3.14Å; S284-R288 VanDerWaalsContact O-N 3.12Å; G285-R288 PolarHBondContact O-N 2.75Å; F286-R288 VanDerWaalsContact C-N 3.34Å; F286-R288 PolarHBondContact O-N 2.96Å; R288-I291 PolarHBondContact O-N 3.24Å; R288-S292 VanDerWaalsContact O-CB 3.31Å; R288-S292 WeakPolarHBondContact O-CB 3.2Å; R288-S292 PolarHBondContact O-N 3.11Å; R288-S292 VanDerWaalsContact O-N 3.09Å
289F92.5Very high90.7Very high7 Ų722.4 Ų22.43%0.03111%0.111CC..Hα-helixtrans-58.5-49.9174.7167.4-106.2000111.9F239 L265 Y269 G285 F286 L287 I291 S292 D294 S295F239-F289 AromaticContact CE1-CE1 3.98Å; F239-F289 HydrophobicContact CE1-CE1 3.98Å; L265-F289 HydrophobicContact CD1-CE2 4.31Å; L265-F289 HydrophobicContact CD2-CD2 4.26Å; L265-F289 HydrophobicContact CD2-CE2 4.09Å; Y269-F289 HydrophobicContact CD2-CB 3.99Å; Y269-F289 AromaticContact CD2-CD2 3.97Å; Y269-F289 HydrophobicContact CD2-CD2 3.97Å; Y269-F289 HydrophobicContact CD2-CG 4.48Å; Y269-F289 AromaticContact CE2-CD2 3.88Å; Y269-F289 HydrophobicContact CE2-CD2 3.88Å; Y269-F289 HydrophobicContact CG-CB 4.15Å; G285-F289 PolarHBondContact O-N 2.95Å; F286-F289 WeakPolarHBondContact O-CB 3.48Å; F286-F289 PolarHBondContact O-N 2.72Å; L287-F289 VanDerWaalsContact C-N 3.35Å; F289-I291 VanDerWaalsContact C-N 3.29Å; F289-I291 PolarHBondContact O-N 2.82Å; F289-S292 WeakPolarHBondContact O-CB 3.27Å; F289-S292 PolarHBondContact O-N 2.81Å; F289-S292 PolarHBondContact O-OG 2.89Å; F289-D294 HydrophobicContact CE2-CB 4.11Å; F289-S295 VanDerWaalsContact O-CB 3.27Å; F289-S295 WeakPolarHBondContact O-CB 3.4Å
290L91.6Very high90.1Very high1 Ų123.8 Ų23.81%0.00511%0.114CC..Hα-helixtrans-65.4-26.9-177.5-72.9-178.3000114.6I216 F239 F286 L287 H796 F813I216-L290 HydrophobicContact CD1-CD1 4.2Å; I216-L290 HydrophobicContact CG2-CD1 3.86Å; F239-L290 HydrophobicContact CZ-CD2 4.42Å; F286-L290 HydrophobicContact CD1-CD1 3.95Å; F286-L290 HydrophobicContact CD1-CG 4.45Å; F286-L290 HydrophobicContact CE1-CD1 3.41Å; F286-L290 VanDerWaalsContact CE1-CD1 3.41Å; F286-L290 HydrophobicContact CE1-CG 4.12Å; F286-L290 HydrophobicContact CZ-CD1 3.8Å; F286-L290 HydrophobicContact CZ-CD2 4.4Å; F286-L290 HydrophobicContact CZ-CG 4.17Å; F286-L290 PolarHBondContact O-N 3.3Å; L287-L290 PolarHBondContact O-N 2.9Å; L290-H796 PolarHBondContact O-ND1 3.43Å; L290-F813 HydrophobicContact CD1-CE2 4.25Å; L290-F813 HydrophobicContact CD1-CZ 4.13Å
291I87.2Confident89.3Confident36 Ų3626.3 Ų26.319%0.18513%0.127CC..Hα-helixtrans-87.4-16.6176.8-61166.8000111L287 R288 F289L287-I291 HydrophobicContact CD1-CD1 3.75Å; L287-I291 HydrophobicContact CD1-CG1 4.32Å; L287-I291 HydrophobicContact CG-CD1 3.85Å; L287-I291 WeakPolarHBondContact O-CG1 3.24Å; L287-I291 PolarHBondContact O-N 2.91Å; L287-I291 VanDerWaalsContact O-N 3.16Å; R288-I291 PolarHBondContact O-N 3.24Å; F289-I291 VanDerWaalsContact C-N 3.29Å; F289-I291 PolarHBondContact O-N 2.82Å
292S85Confident88.7Confident12 Ų1230.1 Ų30.18%0.08414%0.142CC..SBendtrans-76168-175.178.60000114.2Y269 R288 F289 D294 S295Y269-S292 WeakPolarHBondContact CE1-OG 3.47Å; Y269-S292 VanDerWaalsContact CZ-CB 3.49Å; Y269-S292 VanDerWaalsContact OH-CB 3.29Å; Y269-S292 WeakPolarHBondContact OH-CB 3.38Å; Y269-S292 PolarHBondContact OH-OG 3.21Å; R288-S292 VanDerWaalsContact O-CB 3.31Å; R288-S292 WeakPolarHBondContact O-CB 3.2Å; R288-S292 PolarHBondContact O-N 3.11Å; R288-S292 VanDerWaalsContact O-N 3.09Å; F289-S292 WeakPolarHBondContact O-CB 3.27Å; F289-S292 PolarHBondContact O-N 2.81Å; F289-S292 PolarHBondContact O-OG 2.89Å; S292-D294 VanDerWaalsContact C-N 3.26Å; S292-D294 PolarHBondContact O-N 3.41Å; S292-D294 PolarHBondContact OG-N 2.9Å; S292-S295 PolarHBondContact O-N 2.86Å
293E77.2Confident88.1Confident41 Ų4130.8 Ų30.819%0.19214%0.144CC..G310 helixtrans-56.2-34.2173.3-61.3167.1-128.900113.8W9 L155 S295 A296 F300W9-E293 PolarHBondContact NE1-OE1 3.33Å; L155-E293 HydrophobicContact CD1-CG 3.78Å; L155-E293 WeakPolarHBondContact CD1-OE1 3.21Å; E293-S295 PolarHBondContact O-N 3.21Å; E293-S295 VanDerWaalsContact O-N 3.13Å; E293-A296 VanDerWaalsContact O-CB 3.27Å; E293-A296 WeakPolarHBondContact O-CB 3.38Å; E293-A296 PolarHBondContact O-N 3.31Å; E293-F300 HydrophobicContact CB-CE2 4.49Å; E293-F300 HydrophobicContact CB-CZ 4.01Å; E293-F300 WeakPolarHBondContact O-CE2 3.43Å
294D84.9Confident87.7Confident70 Ų7031.3 Ų31.337%0.37415%0.151SC..G310 helixtrans-66.7-15.4178.6-70-20.9000111.5L265 K268 Y269 F289 S292L265-D294 HydrophobicContact CD2-CB 4.33Å; K268-D294 IonicContact NZ-OD1 2.71Å; K268-D294 PolarHBondContact NZ-OD1 2.89Å; K268-D294 IonicContact NZ-OD2 2.84Å; K268-D294 PolarHBondContact NZ-OD2 2.79Å; Y269-D294 HydrophobicContact CE2-CB 4.4Å; Y269-D294 WeakPolarHBondContact CE2-OD2 3.13Å; Y269-D294 VanDerWaalsContact OH-CG 3.25Å; Y269-D294 PolarHBondContact OH-OD2 2.7Å; F289-D294 HydrophobicContact CE2-CB 4.11Å; S292-D294 VanDerWaalsContact C-N 3.26Å; S292-D294 PolarHBondContact O-N 3.41Å; S292-D294 PolarHBondContact OG-N 2.9Å
295S89.3Confident87.5Confident2 Ų234.8 Ų34.81%0.01417%0.168CC..G310 helixtrans-10817.3175.2-164.60000113.6F289 S292 E293 Y794 R795F289-S295 VanDerWaalsContact O-CB 3.27Å; F289-S295 WeakPolarHBondContact O-CB 3.4Å; S292-S295 PolarHBondContact O-N 2.86Å; E293-S295 PolarHBondContact O-N 3.21Å; E293-S295 VanDerWaalsContact O-N 3.13Å; S295-Y794 PolarHBondContact OG-O 3.43Å; S295-R795 VanDerWaalsContact CA-NH1 3.28Å; S295-R795 WeakPolarHBondContact O-CD 3.35Å; S295-R795 PolarHBondContact O-NH1 3.29Å
296A88.5Confident87.2Confident8 Ų836.5 Ų36.57%0.06618%0.18CC..  trans-56.1145.5178.700000113.1L154 E293 M298 F300 R795L154-A296 HydrophobicContact CD1-CB 3.83Å; L154-A296 HydrophobicContact CD2-CB 4.21Å; E293-A296 VanDerWaalsContact O-CB 3.27Å; E293-A296 WeakPolarHBondContact O-CB 3.38Å; E293-A296 PolarHBondContact O-N 3.31Å; A296-M298 VanDerWaalsContact C-N 3.29Å; A296-M298 PolarHBondContact O-N 3.26Å; A296-F300 HydrophobicContact CB-CE2 4.04Å; A296-F300 HydrophobicContact CB-CZ 3.92Å; A296-R795 PolarHBondContact O-NH1 3.02Å
297P92.1Very high87.2Confident13 Ų1338.9 Ų38.98%0.08419%0.191CC..SBendtrans-72.3-18.9-177.827.6-34.4000113.9L785 L790 Q791 R795 I797P297-L785 HydrophobicContact CB-CD1 4.25Å; P297-L790 WeakPolarHBondContact O-CD1 3.4Å; P297-Q791 PolarHBondContact O-N 2.75Å; P297-R795 HydrophobicContact CB-CB 4.15Å; P297-R795 HydrophobicContact CB-CG 4.43Å; P297-I797 HydrophobicContact CB-CG1 4.44Å
298M90.8Very high87.4Confident6 Ų641.9 Ų41.93%0.0321%0.208CC..BIsolated β-bridgetrans-122.6144.6-178.3-68.3-59.7-59.300110.9A296 F300 I303 Y665 L785 D788 G789 L790A296-M298 VanDerWaalsContact C-N 3.29Å; A296-M298 PolarHBondContact O-N 3.26Å; M298-F300 PolarHBondContact O-N 3.5Å; M298-I303 HydrophobicContact CB-CD1 4.23Å; M298-I303 HydrophobicContact CB-CG1 4.42Å; M298-Y665 HydrophobicContact CE-CD1 4.37Å; M298-Y665 HydrophobicContact CE-CE1 3.62Å; M298-Y665 HydrophobicContact CG-CE1 4.08Å; M298-Y665 HydrophobicContact SD-CE1 4.43Å; M298-L785 HydrophobicContact CG-CD2 3.86Å; M298-L785 HydrophobicContact SD-CB 4.11Å; M298-L785 HydrophobicContact SD-CD2 4.2Å; M298-D788 WeakPolarHBondContact CE-O 3.2Å; M298-G789 VanDerWaalsContact CE-C 3.46Å; M298-L790 HydrophobicContact SD-CB 4.15Å; M298-L790 HydrophobicContact SD-CD1 3.81Å
299L85.8Confident87.7Confident38 Ų3838.7 Ų38.720%0.19920%0.196CC..  trans-61.5120.9167.9-74.1172.1000110.3L249 K301 R302 G789 Q791L249-L299 HydrophobicContact CD1-CD1 4.5Å; L299-K301 PolarHBondContact O-N 2.7Å; L299-R302 HydrophobicContact CB-CG 4.35Å; L299-R302 WeakPolarHBondContact O-CB 3.26Å; L299-R302 PolarHBondContact O-N 3.48Å; L299-G789 PolarHBondContact N-O 3.26Å; L299-Q791 HydrophobicContact CD2-CG 4.29Å; L299-Q791 HydrophobicContact CG-CG 4.16Å
300F80Confident88Confident39 Ų3943.3 Ų43.317%0.17122%0.221CC..Hα-helixtrans-51.8-34.6178.6-74.2-75.4000114F7 L154 E293 A296 M298 R302 I303 T304F7-F300 AromaticContact CD1-CD1 3.77Å; F7-F300 HydrophobicContact CD1-CD1 3.77Å; F7-F300 HydrophobicContact CD1-CE1 4.02Å; F7-F300 HydrophobicContact CD1-CG 4.45Å; F7-F300 AromaticContact CE1-CD1 3.67Å; F7-F300 HydrophobicContact CE1-CD1 3.67Å; F7-F300 AromaticContact CE1-CE1 3.7Å; F7-F300 HydrophobicContact CE1-CE1 3.7Å; F7-F300 HydrophobicContact CG-CD1 4.34Å; F7-F300 HydrophobicContact CZ-CD1 4.17Å; F7-F300 HydrophobicContact CZ-CE1 4.44Å; L154-F300 HydrophobicContact CD1-CE1 3.88Å; L154-F300 HydrophobicContact CD1-CZ 3.94Å; E293-F300 HydrophobicContact CB-CE2 4.49Å; E293-F300 HydrophobicContact CB-CZ 4.01Å; E293-F300 WeakPolarHBondContact O-CE2 3.43Å; A296-F300 HydrophobicContact CB-CE2 4.04Å; A296-F300 HydrophobicContact CB-CZ 3.92Å; M298-F300 PolarHBondContact O-N 3.5Å; F300-R302 PolarHBondContact O-N 2.81Å; F300-I303 HydrophobicContact CD1-CD1 4.47Å; F300-I303 PolarHBondContact O-N 2.84Å; F300-I303 VanDerWaalsContact O-N 3.14Å; F300-T304 PolarHBondContact O-N 3.49Å; F300-T304 PolarHBondContact O-OG1 3.03Å
301K79.8Confident88.3Confident132 Ų13245.8 Ų45.857%0.57423%0.232SC*.Hα-helixtrans-59.2-31.3177-171.9173.9-179.6-1770112.3L299 T304 S306L299-K301 PolarHBondContact O-N 2.7Å; K301-T304 PolarHBondContact O-OG1 3.09Å; K301-S306 WeakPolarHBondContact O-CB 3.2Å; K301-S306 PolarHBondContact O-OG 3.45Å
302R83.1Confident88.8Confident79 Ų7945.4 Ų45.430%0.29823%0.232SC..Hα-helixtrans-78.8-25.3178.5-64.1-54.7-165.3-157.36113.7L299 F300 Y665 N666 D788L299-R302 HydrophobicContact CB-CG 4.35Å; L299-R302 WeakPolarHBondContact O-CB 3.26Å; L299-R302 PolarHBondContact O-N 3.48Å; F300-R302 PolarHBondContact O-N 2.81Å; R302-Y665 HydrophobicContact CB-CD1 4.44Å; R302-N666 PolarHBondContact O-N 3.43Å; R302-D788 IonicContact CZ-OD1 2.72Å; R302-D788 IonicContact CZ-OD2 2.96Å; R302-D788 IonicContact NE-OD1 3.88Å; R302-D788 PolarHBondContact NE-OD1 3.03Å; R302-D788 IonicContact NE-OD2 3.91Å; R302-D788 PolarHBondContact NE-OD2 3.37Å; R302-D788 IonicContact NH2-OD1 3.87Å; R302-D788 PolarHBondContact NH2-OD1 2.77Å; R302-D788 IonicContact NH2-OD2 3.34Å; R302-D788 PolarHBondContact NH2-OD2 2.86Å
303I84Confident89.4Confident32 Ų3244.9 Ų44.916%0.16423%0.228CC..Hα-helixtrans-74.6-40.9177.5-56.2174.4000109.6M298 F300 Y665 G667M298-I303 HydrophobicContact CB-CD1 4.23Å; M298-I303 HydrophobicContact CB-CG1 4.42Å; F300-I303 HydrophobicContact CD1-CD1 4.47Å; F300-I303 PolarHBondContact O-N 2.84Å; F300-I303 VanDerWaalsContact O-N 3.14Å; I303-Y665 HydrophobicContact CG1-CD1 4.39Å; I303-Y665 HydrophobicContact CG1-CE1 4.21Å; I303-G667 VanDerWaalsContact O-CA 3.28Å; I303-G667 WeakPolarHBondContact O-CA 3.35Å; I303-G667 PolarHBondContact O-N 2.9Å
304T85.1Confident90.4Very high51 Ų5143 Ų4331%0.31322%0.219SC..SBendtrans-79.5162.5176.552.10000112.2F7 F300 K301 S306F7-T304 HydrophobicContact CD2-CG2 3.74Å; F7-T304 HydrophobicContact CE2-CG2 3.79Å; F300-T304 PolarHBondContact O-N 3.49Å; F300-T304 PolarHBondContact O-OG1 3.03Å; K301-T304 PolarHBondContact O-OG1 3.09Å; T304-S306 PolarHBondContact O-N 3.24Å; T304-S306 PolarHBondContact O-OG 3.29Å
305L88.7Confident91Very high87 Ų8740.8 Ų40.846%0.45521%0.207SC..SBendtrans-60.1107.2174.6-176.772.9000109.9M309 Y398 C669L305-M309 HydrophobicContact CD1-CG 4.29Å; L305-M309 HydrophobicContact CD1-SD 4.44Å; L305-Y398 HydrophobicContact CD1-CE2 3.7Å; L305-Y398 HydrophobicContact CD2-CE2 4.11Å; L305-Y398 VanDerWaalsContact CD2-OH 3.24Å; L305-Y398 WeakPolarHBondContact CD2-OH 3.45Å; L305-C669 HydrophobicContact CD1-CB 4.21Å
306S87.9Confident91.5Very high37 Ų3740.7 Ų40.726%0.25921%0.206SC..  trans-142.4-12.6-171.264.40000115.2K301 T304 N666K301-S306 WeakPolarHBondContact O-CB 3.2Å; K301-S306 PolarHBondContact O-OG 3.45Å; T304-S306 PolarHBondContact O-N 3.24Å; T304-S306 PolarHBondContact O-OG 3.29Å; S306-N666 PolarHBondContact N-OD1 3.2Å
307Q94.2Very high91.9Very high49 Ų4940.5 Ų40.523%0.22920%0.204CC..SBendtrans-77.7159.1177.5-62.8-177.4-11.500110.8M309 N666 L673Q307-M309 WeakPolarHBondContact O-CG 2.99Å; Q307-M309 PolarHBondContact O-N 3.5Å; Q307-N666 HydrophobicContact CG-CB 4.39Å; Q307-N666 PolarHBondContact N-OD1 3.4Å; Q307-L673 HydrophobicContact CB-CB 4.28Å
308D96.4Very high92.3Very high66 Ų6640 Ų4035%0.35320%0.201SC..  trans-67.6122.4172.617611.4000109.4D310 Q311 Y316 L673D308-D310 WeakPolarHBondContact OD1-CB 3.49Å; D308-D310 PolarHBondContact OD1-N 3.24Å; D308-Q311 WeakPolarHBondContact OD2-CG 3.49Å; D308-Q311 PolarHBondContact OD2-NE2 3.42Å; D308-Y316 VanDerWaalsContact O-CE1 3.26Å; D308-Y316 WeakPolarHBondContact O-CE1 3.09Å; D308-Y316 PolarHBondContact O-OH 2.78Å; D308-L673 HydrophobicContact CB-CD2 4.15Å
309M97.9Very high92.6Very high7 Ų739.7 Ų39.73%0.03420%0.199CC..  trans-108.412.2-177.8-57-56.8-6600112.4L305 Q307 Y316 Y398 S446 P447 N448 Y671L305-M309 HydrophobicContact CD1-CG 4.29Å; L305-M309 HydrophobicContact CD1-SD 4.44Å; Q307-M309 WeakPolarHBondContact O-CG 2.99Å; Q307-M309 PolarHBondContact O-N 3.5Å; M309-Y316 WeakPolarHBondContact CA-OH 3.35Å; M309-Y316 HydrophobicContact CE-CE1 4.18Å; M309-Y316 PolarHBondContact O-OH 3.18Å; M309-Y316 HydrophobicContact SD-CE1 3.89Å; M309-Y398 HydrophobicContact CB-CE1 3.92Å; M309-Y398 HydrophobicContact CE-CD1 3.87Å; M309-Y398 HydrophobicContact CE-CD2 4.28Å; M309-Y398 HydrophobicContact CE-CE1 3.59Å; M309-Y398 HydrophobicContact CE-CE2 4.01Å; M309-Y398 HydrophobicContact CE-CG 4.21Å; M309-Y398 HydrophobicContact CG-CE1 4.07Å; M309-Y398 WeakPolarHBondContact CG-OH 3.49Å; M309-S446 WeakPolarHBondContact O-CB 3.34Å; M309-P447 HydrophobicContact CE-CB 3.9Å; M309-P447 HydrophobicContact CE-CG 4.19Å; M309-P447 WeakPolarHBondContact O-CD 3.38Å; M309-N448 WeakPolarHBondContact O-CB 3.41Å; M309-N448 PolarHBondContact O-N 2.93Å; M309-N448 VanDerWaalsContact O-N 3.1Å; M309-Y671 HydrophobicContact CE-CG 4.32Å
310D97.8Very high93.3Very high103 Ų10337.9 Ų37.955%0.55119%0.19SC*.  trans-104.4-1.4-179.7-68-55.5000113.9D308 Y316 S446 N448D308-D310 WeakPolarHBondContact OD1-CB 3.49Å; D308-D310 PolarHBondContact OD1-N 3.24Å; D310-Y316 PolarHBondContact N-OH 2.79Å; D310-S446 VanDerWaalsContact C-CB 3.41Å; D310-S446 WeakPolarHBondContact O-CB 3.3Å; D310-N448 WeakPolarHBondContact OD1-CB 2.9Å; D310-N448 PolarHBondContact OD1-ND2 3.42Å; D310-N448 PolarHBondContact OD2-ND2 2.99Å; D310-N448 VanDerWaalsContact OD2-ND2 3.11Å
311Q97.8Very high94.1Very high54 Ų5436 Ų3625%0.25218%0.182SC..SBendtrans-69.8158.9169.3-57.8-63.9-44.400111.8D308 H315 Y316 S446 P447 L673D308-Q311 WeakPolarHBondContact OD2-CG 3.49Å; D308-Q311 PolarHBondContact OD2-NE2 3.42Å; Q311-H315 HydrophobicContact CB-CB 3.93Å; Q311-H315 PolarHBondContact OE1-ND1 2.96Å; Q311-Y316 WeakPolarHBondContact CA-OH 3.46Å; Q311-Y316 HydrophobicContact CB-CE2 3.87Å; Q311-Y316 WeakPolarHBondContact CB-OH 2.98Å; Q311-Y316 PolarHBondContact N-OH 3.44Å; Q311-Y316 VanDerWaalsContact O-CE2 3.23Å; Q311-Y316 WeakPolarHBondContact O-CE2 3.45Å; Q311-Y316 PolarHBondContact O-OH 3.35Å; Q311-S446 WeakPolarHBondContact O-CA 3.49Å; Q311-S446 WeakPolarHBondContact O-CB 3.36Å; Q311-P447 WeakPolarHBondContact O-CD 3.48Å; Q311-L673 HydrophobicContact CB-CD1 4.01Å; Q311-L673 HydrophobicContact CG-CD1 3.81Å
312P97.9Very high95Very high27 Ų2730.5 Ų30.518%0.17516%0.158CC..  trans-56.4147.9173.2-26.935.3000113.6S314 H315 Y316 P443 L444P312-S314 PolarHBondContact O-N 2.99Å; P312-S314 VanDerWaalsContact O-N 3.08Å; P312-H315 VanDerWaalsContact O-CB 3.24Å; P312-H315 WeakPolarHBondContact O-CB 3.43Å; P312-H315 PolarHBondContact O-N 3.01Å; P312-Y316 WeakPolarHBondContact O-CD2 3.32Å; P312-Y316 VanDerWaalsContact O-CE2 3.24Å; P312-Y316 WeakPolarHBondContact O-CE2 3.49Å; P312-P443 HydrophobicContact CB-CB 4.44Å; P312-P443 HydrophobicContact CG-CB 4.06Å; P312-L444 WeakPolarHBondContact CA-O 3.44Å; P312-L444 HydrophobicContact CB-CB 4.36Å; P312-L444 WeakPolarHBondContact CB-O 3.22Å
313L98.2Very high95.6Very high1 Ų127 Ų271%0.00515%0.145CC..G310 helixtrans-50.9-35.3178.7-91170.6000114.6H315 Y316 I318 P399 L444 P445 P447 L450 M617 Y671L313-H315 PolarHBondContact O-N 3.21Å; L313-H315 VanDerWaalsContact O-N 3.1Å; L313-Y316 PolarHBondContact O-N 3.3Å; L313-I318 HydrophobicContact CD2-CD1 4.42Å; L313-P399 HydrophobicContact CD2-CG 4.48Å; L313-L444 HydrophobicContact CB-CB 4.04Å; L313-L444 HydrophobicContact CB-CD1 4.09Å; L313-P445 WeakPolarHBondContact CG-O 3.45Å; L313-P445 PolarHBondContact N-O 2.96Å; L313-P447 HydrophobicContact CD2-CG 4.2Å; L313-L450 HydrophobicContact CD1-CD1 3.49Å; L313-L450 VanDerWaalsContact CD1-CD1 3.49Å; L313-L450 HydrophobicContact CG-CD1 4.32Å; L313-M617 HydrophobicContact CB-SD 4.14Å; L313-Y671 HydrophobicContact CD2-CE1 3.65Å
314S97.9Very high96.3Very high1 Ų125.5 Ų25.51%0.00714%0.138CC..G310 helixtrans-60.7-18.5176.854.50000113.3P312 Y316 K614 Q643 K674P312-S314 PolarHBondContact O-N 2.99Å; P312-S314 VanDerWaalsContact O-N 3.08Å; S314-Y316 VanDerWaalsContact C-N 3.33Å; S314-K614 WeakPolarHBondContact CB-O 3.33Å; S314-K614 PolarHBondContact OG-O 3.42Å; S314-Q643 PolarHBondContact O-NE2 3.26Å; S314-K674 WeakPolarHBondContact O-CE 3.14Å; S314-K674 PolarHBondContact O-NZ 3.23Å
315H98.4Very high96.8Very high24 Ų2423.1 Ų23.111%0.11112%0.123CC..G310 helixtrans-84.2-0.5-178.3-73.1-169.3000114.2Q311 P312 L313 K614 L673 K674 R679Q311-H315 HydrophobicContact CB-CB 3.93Å; Q311-H315 PolarHBondContact OE1-ND1 2.96Å; P312-H315 VanDerWaalsContact O-CB 3.24Å; P312-H315 WeakPolarHBondContact O-CB 3.43Å; P312-H315 PolarHBondContact O-N 3.01Å; L313-H315 PolarHBondContact O-N 3.21Å; L313-H315 VanDerWaalsContact O-N 3.1Å; H315-K614 PolarHBondContact CD2-O 3.49Å; H315-K614 PolarHBondContact NE2-O 3Å; H315-L673 HydrophobicContact CB-CD1 4.2Å; H315-K674 VanDerWaalsContact C-CE 3.48Å; H315-K674 VanDerWaalsContact O-CB 3.28Å; H315-K674 WeakPolarHBondContact O-CB 3.44Å; H315-K674 WeakPolarHBondContact O-CG 3.39Å; H315-K674 PolarHBondContact O-N 3.31Å; H315-R679 HydrophobicContact CB-CG 3.95Å
316Y98.6Very high97.1Very high0 Ų019 Ų190%010%0.101CC..EExtended strand (participates in β ladder)trans-117.1146.4-178.2-55.6-98.5000111.9D308 M309 D310 Q311 P312 L313 S314 P447 Q643 Y671 L672 L673D308-Y316 VanDerWaalsContact O-CE1 3.26Å; D308-Y316 WeakPolarHBondContact O-CE1 3.09Å; D308-Y316 PolarHBondContact O-OH 2.78Å; M309-Y316 WeakPolarHBondContact CA-OH 3.35Å; M309-Y316 HydrophobicContact CE-CE1 4.18Å; M309-Y316 PolarHBondContact O-OH 3.18Å; M309-Y316 HydrophobicContact SD-CE1 3.89Å; D310-Y316 PolarHBondContact N-OH 2.79Å; Q311-Y316 WeakPolarHBondContact CA-OH 3.46Å; Q311-Y316 HydrophobicContact CB-CE2 3.87Å; Q311-Y316 WeakPolarHBondContact CB-OH 2.98Å; Q311-Y316 PolarHBondContact N-OH 3.44Å; Q311-Y316 VanDerWaalsContact O-CE2 3.23Å; Q311-Y316 WeakPolarHBondContact O-CE2 3.45Å; Q311-Y316 PolarHBondContact O-OH 3.35Å; P312-Y316 WeakPolarHBondContact O-CD2 3.32Å; P312-Y316 VanDerWaalsContact O-CE2 3.24Å; P312-Y316 WeakPolarHBondContact O-CE2 3.49Å; L313-Y316 PolarHBondContact O-N 3.3Å; S314-Y316 VanDerWaalsContact C-N 3.33Å; Y316-P447 HydrophobicContact CD1-CG 4.45Å; Y316-P447 HydrophobicContact CD2-CG 3.84Å; Y316-P447 HydrophobicContact CE1-CG 4.18Å; Y316-P447 VanDerWaalsContact CE2-CD 3.4Å; Y316-P447 HydrophobicContact CE2-CG 3.54Å; Y316-P447 HydrophobicContact CG-CG 4.29Å; Y316-Q643 WeakPolarHBondContact O-CB 3.35Å; Y316-Q643 WeakPolarHBondContact O-CG 3.42Å; Y316-Y671 HydrophobicContact CG-CD1 4.25Å; Y316-L672 CarbonylContact C-O 3.52Å; Y316-L672 VanDerWaalsContact CA-O 3.24Å; Y316-L672 WeakPolarHBondContact CA-O 3.42Å; Y316-L673 HydrophobicContact CD1-CB 4.1Å; Y316-L673 HydrophobicContact CD1-CD1 4.07Å; Y316-L673 HydrophobicContact CE1-CB 4.07Å; Y316-L673 HydrophobicContact CE1-CD1 3.71Å; Y316-L673 HydrophobicContact CE1-CG 4.48Å; Y316-L673 HydrophobicContact CE2-CD1 4.43Å
317L98.5Very high97.3Very high5 Ų518.6 Ų18.63%0.02610%0.097CC..EExtended strand (participates in β ladder)trans-75.9137.8156.5-51.3-179.8000108.2W638 C642 F663 Y671 L672 K674L317-W638 HydrophobicContact CD1-CB 4.09Å; L317-W638 HydrophobicContact CD1-CD2 4.29Å; L317-W638 HydrophobicContact CD1-CG 3.85Å; L317-W638 HydrophobicContact CD2-CB 4.36Å; L317-W638 HydrophobicContact CD2-CG 4.24Å; L317-C642 WeakPolarHBondContact CD2-O 3.2Å; L317-F663 HydrophobicContact CB-CE1 4.41Å; L317-F663 HydrophobicContact CB-CZ 4.08Å; L317-Y671 WeakPolarHBondContact O-CA 3.45Å; L317-L672 HydrophobicContact CB-CB 4.36Å; L317-L672 PolarHBondContact N-O 3.15Å; L317-L672 PolarHBondContact O-N 3.11Å; L317-K674 HydrophobicContact CD2-CD 3.93Å; L317-K674 HydrophobicContact CD2-CG 3.81Å; L317-K674 HydrophobicContact CG-CG 3.97Å
318I98.8Very high97.1Very high1 Ų117.6 Ų17.61%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-122.4123.2-173.2-52.9178000108.4L313 S320 R349 C350 I401 M617 Q643 M644 G670 Y671L313-I318 HydrophobicContact CD2-CD1 4.42Å; I318-S320 PolarHBondContact O-N 3.03Å; I318-S320 PolarHBondContact O-OG 2.97Å; I318-R349 HydrophobicContact CG2-CB 3.83Å; I318-C350 HydrophobicContact CG2-CB 4.45Å; I318-I401 HydrophobicContact CD1-CD1 4.26Å; I318-M617 HydrophobicContact CD1-SD 4.37Å; I318-Q643 HydrophobicContact CD1-CB 4.15Å; I318-Q643 HydrophobicContact CG1-CB 4.17Å; I318-Q643 PolarHBondContact N-O 2.85Å; I318-Q643 VanDerWaalsContact O-O 3.11Å; I318-M644 HydrophobicContact CB-CG 4.29Å; I318-M644 HydrophobicContact CD1-CG 4.23Å; I318-G670 WeakPolarHBondContact CA-O 3.4Å; I318-Y671 HydrophobicContact CB-CE1 4.36Å; I318-Y671 HydrophobicContact CD1-CD1 4.5Å; I318-Y671 HydrophobicContact CD1-CE1 3.79Å; I318-Y671 HydrophobicContact CG1-CD1 3.9Å; I318-Y671 HydrophobicContact CG1-CE1 3.61Å; I318-Y671 HydrophobicContact CG2-CE1 4.02Å
319N98.7Very high96.6Very high0 Ų019.3 Ų19.30%010%0.101CC..EExtended strand (participates in β ladder)trans-63.8120.5178.2-167.94.7000109.8C348 R349 C350 F649 N659 F663 G670N319-C348 PolarHBondContact O-SG 3.14Å; N319-C348 VanDerWaalsContact O-SG 3.34Å; N319-R349 PolarHBondContact O-N 3.23Å; N319-C350 PolarHBondContact O-N 3.5Å; N319-C350 VanDerWaalsContact O-N 3.09Å; N319-F649 WeakPolarHBondContact OD1-CZ 3.43Å; N319-N659 PolarHBondContact OD1-ND2 3.44Å; N319-F663 HydrophobicContact CB-CB 4.33Å; N319-F663 HydrophobicContact CB-CD1 3.75Å; N319-F663 HydrophobicContact CB-CD2 3.75Å; N319-F663 HydrophobicContact CB-CE1 3.89Å; N319-F663 HydrophobicContact CB-CE2 3.89Å; N319-F663 HydrophobicContact CB-CG 3.68Å; N319-F663 HydrophobicContact CB-CZ 3.97Å; N319-F663 VanDerWaalsContact N-CZ 3.3Å; N319-G670 PolarHBondContact N-O 3.14Å
320S98.8Very high95.9Very high0 Ų019.5 Ų19.50%010%0.102CC..EExtended strand (participates in β ladder)trans-136.2135-162.6-60.40000112.6I318 C350 M644 S646 L647 F649I318-S320 PolarHBondContact O-N 3.03Å; I318-S320 PolarHBondContact O-OG 2.97Å; S320-C350 CarbonylContact C-O 3.53Å; S320-C350 WeakPolarHBondContact CA-O 3.31Å; S320-C350 WeakPolarHBondContact OG-CB 3.43Å; S320-M644 VanDerWaalsContact OG-CA 3.27Å; S320-M644 WeakPolarHBondContact OG-CA 3.46Å; S320-S646 WeakPolarHBondContact O-CA 3.39Å; S320-L647 PolarHBondContact O-N 3.43Å; S320-F649 WeakPolarHBondContact O-CE2 3.34Å
321S98.6Very high95.1Very high0 Ų015.1 Ų15.10%08%0.079CC..EExtended strand (participates in β ladder)trans-105.5149.7177.7176.30000111.1T324 C348 C350 S646 L647S321-T324 VanDerWaalsContact CB-OG1 3.3Å; S321-T324 WeakPolarHBondContact CB-OG1 3.47Å; S321-T324 WeakPolarHBondContact OG-CB 3.5Å; S321-T324 PolarHBondContact OG-OG1 2.94Å; S321-C348 PolarHBondContact N-SG 3.47Å; S321-C350 PolarHBondContact N-O 2.84Å; S321-S646 WeakPolarHBondContact O-CB 3.23Å; S321-S646 PolarHBondContact O-OG 2.64Å; S321-L647 CarbonylContact C-O 3.49Å; S321-L647 WeakPolarHBondContact CA-O 3.36Å
322H97.7Very high94.3Very high17 Ų1714.2 Ų14.28%0.0798%0.083CC..SBendtrans-114.2140.3170.1173-106.7000109.1T324 E352 P622 L647 N648H322-T324 PolarHBondContact O-N 3.41Å; H322-T324 VanDerWaalsContact O-N 3.17Å; H322-E352 WeakPolarHBondContact CA-OE2 3.42Å; H322-E352 IonicContact CD2-OE2 2.94Å; H322-E352 PolarHBondContact CD2-OE2 3.42Å; H322-E352 IonicContact CG-OE2 3.89Å; H322-E352 IonicContact NE2-OE2 3.95Å; H322-P622 HydrophobicContact CB-CG 4.17Å; H322-L647 PolarHBondContact N-O 3.28Å; H322-N648 PolarHBondContact ND1-OD1 3.21Å
323N96.2Very high93.6Very high5 Ų513.3 Ų13.33%0.0278%0.079CC..SBendtrans41.551.4-178.7-69.8-4.3000112.7Y325 L326 Q330 E352N323-Y325 HydrophobicContact CB-CE1 4.02Å; N323-Y325 PolarHBondContact O-N 3.34Å; N323-L326 HydrophobicContact CB-CD1 3.84Å; N323-L326 HydrophobicContact CB-CG 4.26Å; N323-L326 PolarHBondContact O-N 3.08Å; N323-Q330 PolarHBondContact ND2-OE1 3.22Å; N323-E352 PolarHBondContact N-OE2 2.85Å; N323-E352 PolarHBondContact OD1-OE2 3.35Å
324T98Very high93.4Very high1 Ų120.8 Ų20.81%0.00611%0.107CC..THydrogen-bonded Turntrans-54.2-25.7-167.6-52.40000113.9S321 H322 L326 M339 Y340 V343 I351 E352S321-T324 VanDerWaalsContact CB-OG1 3.3Å; S321-T324 WeakPolarHBondContact CB-OG1 3.47Å; S321-T324 WeakPolarHBondContact OG-CB 3.5Å; S321-T324 PolarHBondContact OG-OG1 2.94Å; H322-T324 PolarHBondContact O-N 3.41Å; H322-T324 VanDerWaalsContact O-N 3.17Å; T324-L326 VanDerWaalsContact C-N 3.31Å; T324-L326 PolarHBondContact O-N 2.98Å; T324-M339 WeakPolarHBondContact O-CB 3.28Å; T324-M339 WeakPolarHBondContact O-CG 3.41Å; T324-Y340 HydrophobicContact CG2-CD1 3.65Å; T324-Y340 HydrophobicContact CG2-CE1 3.86Å; T324-Y340 HydrophobicContact CG2-CG 4.22Å; T324-V343 HydrophobicContact CG2-CB 3.99Å; T324-V343 HydrophobicContact CG2-CG1 3.95Å; T324-V343 HydrophobicContact CG2-CG2 4.02Å; T324-I351 HydrophobicContact CG2-CB 4.13Å; T324-I351 HydrophobicContact CG2-CG2 3.93Å; T324-E352 PolarHBondContact OG1-N 3.01Å
325Y96.5Very high93.2Very high0 Ų021 Ų210%011%0.108CC..THydrogen-bonded Turntrans-70.6-20.5178.752.6-86.7000113.9N323 S335 S336 D354 I369 H371N323-Y325 HydrophobicContact CB-CE1 4.02Å; N323-Y325 PolarHBondContact O-N 3.34Å; Y325-S335 CarbonylContact O-C 3.47Å; Y325-S335 WeakPolarHBondContact O-CA 3.22Å; Y325-S336 PolarHBondContact O-N 3.33Å; Y325-D354 HydrophobicContact CE1-CB 3.74Å; Y325-D354 VanDerWaalsContact OH-CG 3.3Å; Y325-D354 PolarHBondContact OH-OD2 3.29Å; Y325-I369 HydrophobicContact CD1-CG2 3.59Å; Y325-I369 HydrophobicContact CD2-CG2 4.23Å; Y325-I369 HydrophobicContact CE1-CG2 4.25Å; Y325-I369 HydrophobicContact CG-CG2 3.6Å; Y325-H371 HydrophobicContact CE2-CB 3.94Å; Y325-H371 WeakPolarHBondContact OH-CA 3.44Å; Y325-H371 WeakPolarHBondContact OH-CB 3.26Å
326L95Very high93.1Very high0 Ų020.3 Ų20.30%011%0.106CC..BIsolated β-bridgetrans-81.7131.7-175.8-66.7177.8000112.3N323 T324 C376N323-L326 HydrophobicContact CB-CD1 3.84Å; N323-L326 HydrophobicContact CB-CG 4.26Å; N323-L326 PolarHBondContact O-N 3.08Å; T324-L326 VanDerWaalsContact C-N 3.31Å; T324-L326 PolarHBondContact O-N 2.98Å; L326-C376 HydrophobicContact CD2-CB 4.38Å
327V92.5Very high92.9Very high30 Ų3021.7 Ų21.718%0.18212%0.115CC..SBendtrans-97.82.3173-66.50000113.8V125 R334 M339V125-V327 HydrophobicContact CG1-CB 3.97Å; V125-V327 WeakPolarHBondContact CG1-O 3.49Å; V327-R334 HydrophobicContact CG2-CB 3.69Å; V327-R334 HydrophobicContact CG2-CG 3.98Å; V327-R334 WeakPolarHBondContact CG2-O 3.48Å; V327-R334 PolarHBondContact N-O 3.06Å; V327-R334 VanDerWaalsContact N-O 3.08Å; V327-M339 HydrophobicContact CG1-CB 4.09Å; V327-M339 HydrophobicContact CG1-CG 4.21Å; V327-M339 HydrophobicContact CG1-SD 4.03Å
328G89.5Confident92.8Very high28 Ų2822.3 Ų22.329%0.28912%0.118SC..SBendtrans-160.7-132.7-176.300000113.1S629 Q650G328-S629 PolarHBondContact O-OG 3.34Å; G328-Q650 WeakPolarHBondContact O-CG 3.42Å; G328-Q650 PolarHBondContact O-NE2 2.94Å; G328-Q650 VanDerWaalsContact O-NE2 3.16Å
329R85.4Confident92.6Very high101 Ų10122.4 Ų22.438%0.38112%0.118SC..  trans-62.2154.5-179.1-61.6-174.3-178.8176.72.6112.2F331 G333 L538 E543R329-F331 VanDerWaalsContact C-N 3.26Å; R329-F331 PolarHBondContact O-N 3.33Å; R329-G333 WeakPolarHBondContact O-CA 3.27Å; R329-L538 PolarHBondContact NH1-O 2.9Å; R329-E543 VanDerWaalsContact CD-OE1 3.31Å; R329-E543 WeakPolarHBondContact CD-OE1 3.08Å; R329-E543 IonicContact CZ-OE1 3.74Å; R329-E543 IonicContact NE-OE1 2.71Å; R329-E543 IonicContact NH1-OE1 3.74Å; R329-E543 PolarHBondContact NH1-OE1 2.92Å; R329-E543 IonicContact NH1-OE2 2.82Å
330Q83.1Confident92.6Very high11 Ų1122.4 Ų22.45%0.05112%0.118CC..SBendtrans-71.5-21.6175.7-59.4-65.4-45.400112.7N323 H371 A374 C376 R626 V627 S629N323-Q330 PolarHBondContact ND2-OE1 3.22Å; Q330-H371 PolarHBondContact O-ND1 2.87Å; Q330-A374 WeakPolarHBondContact O-CB 3.34Å; Q330-C376 PolarHBondContact O-SG 3.41Å; Q330-C376 VanDerWaalsContact O-SG 3.37Å; Q330-R626 WeakPolarHBondContact CG-O 3.45Å; Q330-V627 PolarHBondContact N-O 2.84Å; Q330-S629 PolarHBondContact NE2-OG 2.92Å
331F81.9Confident92.4Very high12 Ų1224.1 Ų24.15%0.05312%0.124CC..SBendtrans-119.3132.2178.8-73.8-94.3000110.6R329 G333 A374 F547 Y550 V627R329-F331 VanDerWaalsContact C-N 3.26Å; R329-F331 PolarHBondContact O-N 3.33Å; F331-G333 PolarHBondContact O-N 2.95Å; F331-G333 VanDerWaalsContact O-N 3.09Å; F331-A374 WeakPolarHBondContact CA-O 3.4Å; F331-A374 HydrophobicContact CD1-CB 3.83Å; F331-A374 HydrophobicContact CE1-CB 4Å; F331-A374 HydrophobicContact CG-CB 4.38Å; F331-F547 HydrophobicContact CE2-CD2 4Å; F331-F547 HydrophobicContact CZ-CD2 4.12Å; F331-Y550 HydrophobicContact CE1-CD1 4.41Å; F331-Y550 AromaticContact CE1-CD2 3.35Å; F331-Y550 HydrophobicContact CE1-CD2 3.35Å; F331-Y550 AromaticContact CE1-CE2 3.96Å; F331-Y550 HydrophobicContact CE1-CE2 3.96Å; F331-Y550 AromaticContact CE1-CG 3.59Å; F331-Y550 HydrophobicContact CE1-CG 3.59Å; F331-Y550 AromaticContact CZ-CD1 3.89Å; F331-Y550 HydrophobicContact CZ-CD1 3.89Å; F331-Y550 AromaticContact CZ-CD2 3.67Å; F331-Y550 HydrophobicContact CZ-CD2 3.67Å; F331-Y550 HydrophobicContact CZ-CE1 4.37Å; F331-Y550 HydrophobicContact CZ-CE2 4.12Å; F331-Y550 AromaticContact CZ-CG 3.51Å; F331-Y550 HydrophobicContact CZ-CG 3.51Å; F331-V627 HydrophobicContact CD2-CB 4.1Å; F331-V627 HydrophobicContact CD2-CG1 3.91Å; F331-V627 HydrophobicContact CE2-CB 4.45Å; F331-V627 HydrophobicContact CE2-CG1 3.79Å
332G80.5Confident92.3Very high34 Ų3424.2 Ų24.235%0.35113%0.125SC..SBendtrans64.18.9-176.400000114.3A374G332-A374 PolarHBondContact N-O 3.36Å
333G84Confident92.2Very high8 Ų823.4 Ų23.48%0.08212%0.121CC..PPolyproline II helixtrans-72154.2-178.900000112.6R329 F331 C376 T377R329-G333 WeakPolarHBondContact O-CA 3.27Å; F331-G333 PolarHBondContact O-N 2.95Å; F331-G333 VanDerWaalsContact O-N 3.09Å; G333-C376 WeakPolarHBondContact O-CA 3.41Å; G333-C376 VanDerWaalsContact O-CB 3.26Å; G333-C376 WeakPolarHBondContact O-CB 3.48Å; G333-T377 PolarHBondContact O-N 2.55Å
334R92.8Very high92.2Very high159 Ų15923.2 Ų23.260%0.612%0.12SC*.PPolyproline II helixtrans-78.8134.6170.3175-179.6146.6139.5-3.3109.5V327V327-R334 HydrophobicContact CG2-CB 3.69Å; V327-R334 HydrophobicContact CG2-CG 3.98Å; V327-R334 WeakPolarHBondContact CG2-O 3.48Å; V327-R334 PolarHBondContact N-O 3.06Å; V327-R334 VanDerWaalsContact N-O 3.08Å
335S93.9Very high92Very high4 Ų423.9 Ų23.93%0.02812%0.124CC..BIsolated β-bridgetrans-91.5141.6165.2-54.40000109.9Y325 T377Y325-S335 CarbonylContact O-C 3.47Å; Y325-S335 WeakPolarHBondContact O-CA 3.22Å; S335-T377 VanDerWaalsContact CB-O 3.22Å; S335-T377 WeakPolarHBondContact CB-O 3.29Å; S335-T377 PolarHBondContact N-OG1 3.26Å; S335-T377 PolarHBondContact O-OG1 2.97Å; S335-T377 PolarHBondContact OG-O 2.79Å
336S95.6Very high91.8Very high11 Ų1124.7 Ų24.78%0.07713%0.13CC..  trans-138.9133.4-176.4-171.70000112.1Y325 E338Y325-S336 PolarHBondContact O-N 3.33Å; S336-E338 VanDerWaalsContact C-N 3.3Å; S336-E338 PolarHBondContact OG-N 3.15Å
337V96.1Very high91.7Very high28 Ų2824.7 Ų24.717%0.1713%0.13CC..Hα-helixtrans-65.8-37.9169.9177.60000110.4M339 Y340 I379 D383 V384 A387V337-M339 PolarHBondContact O-N 3.37Å; V337-Y340 WeakPolarHBondContact O-CB 3.39Å; V337-Y340 PolarHBondContact O-N 3.41Å; V337-I379 HydrophobicContact CG2-CB 3.99Å; V337-I379 HydrophobicContact CG2-CD1 4.07Å; V337-I379 HydrophobicContact CG2-CG1 4.47Å; V337-I379 HydrophobicContact CG2-CG2 4.25Å; V337-D383 HydrophobicContact CG1-CB 4.46Å; V337-D383 HydrophobicContact CG2-CB 4.02Å; V337-V384 HydrophobicContact CB-CG2 4.5Å; V337-V384 HydrophobicContact CG1-CG2 4.45Å; V337-V384 HydrophobicContact CG2-CG2 3.98Å; V337-A387 HydrophobicContact CG1-CB 3.51Å
338E94.8Very high92Very high19 Ų1923.2 Ų23.29%0.08912%0.121CC..Hα-helixtrans-62.9-30.4-178.1-174.557-151.100112.7R69 V127 F129 S336 Y340 R341 Q342R69-E338 IonicContact CZ-OE1 3.18Å; R69-E338 IonicContact CZ-OE2 3.22Å; R69-E338 IonicContact NH1-OE1 2.74Å; R69-E338 IonicContact NH1-OE2 3.71Å; R69-E338 PolarHBondContact NH1-OE2 3.1Å; R69-E338 IonicContact NH2-OE1 2.84Å; R69-E338 PolarHBondContact NH2-OE1 3.43Å; R69-E338 IonicContact NH2-OE2 2.93Å; R69-E338 PolarHBondContact NH2-OE2 3.11Å; V127-E338 HydrophobicContact CG2-CG 4.09Å; F129-E338 HydrophobicContact CZ-CG 3.99Å; S336-E338 VanDerWaalsContact C-N 3.3Å; S336-E338 PolarHBondContact OG-N 3.15Å; E338-Y340 PolarHBondContact O-N 2.77Å; E338-R341 WeakPolarHBondContact O-CA 3.31Å; E338-R341 WeakPolarHBondContact O-CB 3.29Å; E338-R341 PolarHBondContact O-N 2.79Å; E338-R341 IonicContact OE2-NH1 2.7Å; E338-R341 PolarHBondContact OE2-NH1 3.3Å; E338-R341 VanDerWaalsContact OE2-NH1 3.13Å; E338-Q342 HydrophobicContact CG-CG 4.16Å; E338-Q342 WeakPolarHBondContact O-CG 3.43Å; E338-Q342 PolarHBondContact O-N 2.92Å; E338-Q342 PolarHBondContact OE1-NE2 3.34Å
339M95.8Very high92.4Very high3 Ų321.9 Ų21.92%0.01511%0.108CC..Hα-helixtrans-59.8-34.6179.4-165.963.2168.300111.8V125 T324 V327 V337 R341 Q342 V343 F649 Q650V125-M339 HydrophobicContact CG2-CE 3.98Å; V125-M339 HydrophobicContact CG2-SD 4.33Å; T324-M339 WeakPolarHBondContact O-CB 3.28Å; T324-M339 WeakPolarHBondContact O-CG 3.41Å; V327-M339 HydrophobicContact CG1-CB 4.09Å; V327-M339 HydrophobicContact CG1-CG 4.21Å; V327-M339 HydrophobicContact CG1-SD 4.03Å; V337-M339 PolarHBondContact O-N 3.37Å; M339-R341 VanDerWaalsContact C-N 3.35Å; M339-R341 PolarHBondContact O-N 3.11Å; M339-Q342 PolarHBondContact O-N 3.22Å; M339-V343 HydrophobicContact CE-CG2 4.35Å; M339-V343 HydrophobicContact CG-CG2 4.3Å; M339-V343 VanDerWaalsContact O-CB 3.31Å; M339-V343 WeakPolarHBondContact O-CB 3.47Å; M339-V343 WeakPolarHBondContact O-CG2 3.34Å; M339-V343 PolarHBondContact O-N 3.39Å; M339-V343 HydrophobicContact SD-CG2 4.46Å; M339-F649 HydrophobicContact CE-CB 4.25Å; M339-Q650 HydrophobicContact CE-CB 3.68Å
340Y98.1Very high93.1Very high0 Ų017.1 Ų17.10%09%0.089CC..Hα-helixtrans-62.9-40.7173.4-73.1-84.7000112.6T324 V337 E338 L344 I351 E352 L353 I379 V384 I388T324-Y340 HydrophobicContact CG2-CD1 3.65Å; T324-Y340 HydrophobicContact CG2-CE1 3.86Å; T324-Y340 HydrophobicContact CG2-CG 4.22Å; V337-Y340 WeakPolarHBondContact O-CB 3.39Å; V337-Y340 PolarHBondContact O-N 3.41Å; E338-Y340 PolarHBondContact O-N 2.77Å; Y340-L344 WeakPolarHBondContact O-CB 3.44Å; Y340-L344 WeakPolarHBondContact O-CD1 3.19Å; Y340-L344 VanDerWaalsContact O-CG 3.24Å; Y340-L344 WeakPolarHBondContact O-CG 3.44Å; Y340-L344 PolarHBondContact O-N 2.59Å; Y340-I351 HydrophobicContact CD1-CB 4.49Å; Y340-I351 HydrophobicContact CD1-CD1 3.75Å; Y340-I351 HydrophobicContact CE1-CD1 4.23Å; Y340-E352 WeakPolarHBondContact CE1-O 3.24Å; Y340-E352 PolarHBondContact OH-O 3.02Å; Y340-L353 HydrophobicContact CE1-CD1 4.27Å; Y340-L353 HydrophobicContact CE1-CG 3.92Å; Y340-I379 HydrophobicContact CE2-CD1 4.16Å; Y340-V384 HydrophobicContact CD1-CG1 4.07Å; Y340-V384 HydrophobicContact CD2-CB 4.38Å; Y340-V384 HydrophobicContact CD2-CG1 3.63Å; Y340-V384 HydrophobicContact CD2-CG2 3.94Å; Y340-V384 HydrophobicContact CE1-CG1 3.92Å; Y340-V384 HydrophobicContact CE2-CB 4.24Å; Y340-V384 HydrophobicContact CE2-CG1 3.46Å; Y340-V384 VanDerWaalsContact CE2-CG1 3.46Å; Y340-V384 HydrophobicContact CE2-CG2 3.69Å; Y340-V384 HydrophobicContact CG-CG1 3.91Å; Y340-I388 HydrophobicContact CD1-CD1 4.14Å; Y340-I388 HydrophobicContact CD1-CG1 4.28Å; Y340-I388 HydrophobicContact CE1-CD1 4.49Å
341R95.7Very high93.8Very high35 Ų3516.6 Ų16.613%0.1329%0.087CC..Hα-helixtrans-64.1-52.3177.5-60.7-165.9179.187.1-0.1110.1E338 M339 V343 L344 L345 A387 E390 S391E338-R341 WeakPolarHBondContact O-CA 3.31Å; E338-R341 WeakPolarHBondContact O-CB 3.29Å; E338-R341 PolarHBondContact O-N 2.79Å; E338-R341 IonicContact OE2-NH1 2.7Å; E338-R341 PolarHBondContact OE2-NH1 3.3Å; E338-R341 VanDerWaalsContact OE2-NH1 3.13Å; M339-R341 VanDerWaalsContact C-N 3.35Å; M339-R341 PolarHBondContact O-N 3.11Å; R341-V343 VanDerWaalsContact C-N 3.33Å; R341-V343 PolarHBondContact O-N 3.27Å; R341-L344 PolarHBondContact O-N 3.43Å; R341-L345 HydrophobicContact CB-CD1 4.4Å; R341-L345 WeakPolarHBondContact O-CB 3.49Å; R341-L345 WeakPolarHBondContact O-CD1 3.5Å; R341-L345 WeakPolarHBondContact O-CG 3.33Å; R341-L345 PolarHBondContact O-N 2.95Å; R341-A387 HydrophobicContact CG-CB 3.9Å; R341-E390 IonicContact CZ-OE2 2.86Å; R341-E390 IonicContact NE-OE2 2.89Å; R341-E390 PolarHBondContact NE-OE2 3.34Å; R341-E390 VanDerWaalsContact NE-OE2 3.09Å; R341-E390 IonicContact NH2-OE2 2.98Å; R341-E390 PolarHBondContact NH2-OE2 3.16Å; R341-S391 WeakPolarHBondContact CB-OG 3.47Å; R341-S391 VanDerWaalsContact CG-OG 3.28Å; R341-S391 WeakPolarHBondContact CG-OG 3.15Å
342Q94.4Very high94.6Very high3 Ų316.1 Ų16.11%0.0149%0.085CC..Hα-helixtrans-58.6-43.4-179-62-57-45.600112.2S66 L124 V127 E338 M339 L345 A346S66-Q342 PolarHBondContact OG-NE2 2.88Å; S66-Q342 PolarHBondContact OG-OE1 2.75Å; L124-Q342 HydrophobicContact CB-CB 4.38Å; L124-Q342 HydrophobicContact CD2-CB 4.21Å; V127-Q342 HydrophobicContact CG1-CG 4.24Å; E338-Q342 HydrophobicContact CG-CG 4.16Å; E338-Q342 WeakPolarHBondContact O-CG 3.43Å; E338-Q342 PolarHBondContact O-N 2.92Å; E338-Q342 PolarHBondContact OE1-NE2 3.34Å; M339-Q342 PolarHBondContact O-N 3.22Å; Q342-L345 PolarHBondContact O-N 3.13Å; Q342-A346 WeakPolarHBondContact O-CB 3.44Å; Q342-A346 PolarHBondContact O-N 2.99Å
343V96.3Very high95.4Very high0 Ų014.5 Ų14.50%07%0.068CC..Hα-helixtrans-65.4-42.4178169.30000111.9T324 M339 R341 A346 C348 I351 F649T324-V343 HydrophobicContact CG2-CB 3.99Å; T324-V343 HydrophobicContact CG2-CG1 3.95Å; T324-V343 HydrophobicContact CG2-CG2 4.02Å; M339-V343 HydrophobicContact CE-CG2 4.35Å; M339-V343 HydrophobicContact CG-CG2 4.3Å; M339-V343 VanDerWaalsContact O-CB 3.31Å; M339-V343 WeakPolarHBondContact O-CB 3.47Å; M339-V343 WeakPolarHBondContact O-CG2 3.34Å; M339-V343 PolarHBondContact O-N 3.39Å; M339-V343 HydrophobicContact SD-CG2 4.46Å; R341-V343 VanDerWaalsContact C-N 3.33Å; R341-V343 PolarHBondContact O-N 3.27Å; V343-A346 PolarHBondContact O-N 2.92Å; V343-C348 HydrophobicContact CG1-CB 3.4Å; V343-C348 WeakPolarHBondContact O-CB 2.99Å; V343-C348 PolarHBondContact O-N 3.4Å; V343-I351 HydrophobicContact CG1-CG2 3.89Å; V343-F649 HydrophobicContact CB-CD1 4.22Å; V343-F649 HydrophobicContact CG1-CD1 3.89Å; V343-F649 HydrophobicContact CG1-CE1 3.98Å; V343-F649 HydrophobicContact CG1-CG 4.27Å; V343-F649 HydrophobicContact CG1-CZ 4.46Å; V343-F649 HydrophobicContact CG2-CB 3.78Å; V343-F649 HydrophobicContact CG2-CD1 3.75Å; V343-F649 HydrophobicContact CG2-CG 3.94Å
344L96.7Very high96Very high0 Ų014.3 Ų14.30%07%0.066CC..Hα-helixtrans-67.4-38.9176.3-72.5167.5000112.2Y340 R341 A346 G347 R349 I351 I388 A392 V400Y340-L344 WeakPolarHBondContact O-CB 3.44Å; Y340-L344 WeakPolarHBondContact O-CD1 3.19Å; Y340-L344 VanDerWaalsContact O-CG 3.24Å; Y340-L344 WeakPolarHBondContact O-CG 3.44Å; Y340-L344 PolarHBondContact O-N 2.59Å; R341-L344 PolarHBondContact O-N 3.43Å; L344-A346 VanDerWaalsContact C-N 3.3Å; L344-G347 PolarHBondContact O-N 3.48Å; L344-R349 PolarHBondContact O-NH2 3.32Å; L344-R349 VanDerWaalsContact O-NH2 3.07Å; L344-I351 HydrophobicContact CD1-CD1 4.23Å; L344-I351 HydrophobicContact CD2-CD1 4.23Å; L344-I351 HydrophobicContact CD2-CG2 4.3Å; L344-I351 HydrophobicContact CG-CD1 4.4Å; L344-I388 HydrophobicContact CD1-CB 4.32Å; L344-I388 HydrophobicContact CD1-CG1 4.16Å; L344-I388 HydrophobicContact CD1-CG2 4.18Å; L344-A392 HydrophobicContact CD1-CB 4.48Å; L344-V400 HydrophobicContact CD2-CG1 3.99Å; L344-V400 HydrophobicContact CD2-CG2 4.21Å
345L92.7Very high96.2Very high16 Ų166.8 Ų6.88%0.0844%0.037CC..Hα-helixtrans-65.3-33.7176.4-71.9163.9000111.7D67 R341 Q342 G347 V394 T395D67-L345 HydrophobicContact CB-CD1 3.78Å; R341-L345 HydrophobicContact CB-CD1 4.4Å; R341-L345 WeakPolarHBondContact O-CB 3.49Å; R341-L345 WeakPolarHBondContact O-CD1 3.5Å; R341-L345 WeakPolarHBondContact O-CG 3.33Å; R341-L345 PolarHBondContact O-N 2.95Å; Q342-L345 PolarHBondContact O-N 3.13Å; L345-G347 PolarHBondContact O-N 2.58Å; L345-G347 VanDerWaalsContact O-N 3.07Å; L345-V394 HydrophobicContact CD2-CB 3.87Å; L345-V394 HydrophobicContact CD2-CG1 3.7Å; L345-V394 HydrophobicContact CD2-CG2 4.48Å; L345-T395 WeakPolarHBondContact CA-OG1 3.18Å; L345-T395 WeakPolarHBondContact O-CG2 3.43Å; L345-T395 PolarHBondContact O-OG1 3.06Å
346A92.4Very high96.2Very high16 Ų168.8 Ų8.813%0.1324%0.044CC..THydrogen-bonded Turntrans-72.513.8170.200000114L124 Q342 V343 L344 C348 F649L124-A346 HydrophobicContact CD1-CB 4.37Å; L124-A346 HydrophobicContact CD2-CB 4.07Å; Q342-A346 WeakPolarHBondContact O-CB 3.44Å; Q342-A346 PolarHBondContact O-N 2.99Å; V343-A346 PolarHBondContact O-N 2.92Å; L344-A346 VanDerWaalsContact C-N 3.3Å; A346-C348 VanDerWaalsContact C-N 3.33Å; A346-C348 PolarHBondContact O-N 3.31Å; A346-F649 HydrophobicContact CB-CE1 4.5Å
347G94.3Very high96.1Very high0 Ų011.1 Ų11.10%06%0.055CC..THydrogen-bonded Turntrans806.3175.700000114.9L344 L345 G670L344-G347 PolarHBondContact O-N 3.48Å; L345-G347 PolarHBondContact O-N 2.58Å; L345-G347 VanDerWaalsContact O-N 3.07Å; G347-G670 WeakPolarHBondContact O-CA 3.49Å
348C98.1Very high95.7Very high0 Ų010.2 Ų10.20%05%0.052CC..  trans-66.2139.9176.1-171.60000111.1N319 S321 V343 A346 C350 F649N319-C348 PolarHBondContact O-SG 3.14Å; N319-C348 VanDerWaalsContact O-SG 3.34Å; S321-C348 PolarHBondContact N-SG 3.47Å; V343-C348 HydrophobicContact CG1-CB 3.4Å; V343-C348 WeakPolarHBondContact O-CB 2.99Å; V343-C348 PolarHBondContact O-N 3.4Å; A346-C348 VanDerWaalsContact C-N 3.33Å; A346-C348 PolarHBondContact O-N 3.31Å; C348-C350 PolarHBondContact SG-O 3.38Å; C348-C350 VanDerWaalsContact SG-O 3.35Å; C348-F649 HydrophobicContact CB-CE1 3.89Å; C348-F649 HydrophobicContact CB-CZ 3.8Å
349R98.7Very high95.2Very high0 Ų012.8 Ų12.80%07%0.072CC..  trans-122.1-12.1-173.9-61.2-67.390-179.10.6113.8I318 N319 L344 A392 S396 Y398 V400 I401 Y671I318-R349 HydrophobicContact CG2-CB 3.83Å; N319-R349 PolarHBondContact O-N 3.23Å; L344-R349 PolarHBondContact O-NH2 3.32Å; L344-R349 VanDerWaalsContact O-NH2 3.07Å; R349-A392 VanDerWaalsContact CZ-O 3.27Å; R349-A392 PolarHBondContact NH1-O 3.06Å; R349-A392 PolarHBondContact NH2-O 2.92Å; R349-S396 PolarHBondContact NH1-O 3.5Å; R349-S396 VanDerWaalsContact NH1-O 3.08Å; R349-Y398 PolarHBondContact NH1-O 2.88Å; R349-V400 CarbonylContact O-C 3.49Å; R349-V400 VanDerWaalsContact O-CA 3.29Å; R349-V400 WeakPolarHBondContact O-CA 3.48Å; R349-I401 PolarHBondContact O-N 3.22Å; R349-Y671 HydrophobicContact CB-CE2 3.77Å; R349-Y671 HydrophobicContact CG-CD2 3.9Å; R349-Y671 HydrophobicContact CG-CE2 3.46Å; R349-Y671 VanDerWaalsContact CG-CE2 3.46Å
350C98.7Very high94.4Very high0 Ų014.3 Ų14.30%08%0.083CC..EExtended strand (participates in β ladder)trans-123.1118.2170.3178.10000109.7I318 N319 S320 S321 C348 I401 M644I318-C350 HydrophobicContact CG2-CB 4.45Å; N319-C350 PolarHBondContact O-N 3.5Å; N319-C350 VanDerWaalsContact O-N 3.09Å; S320-C350 CarbonylContact C-O 3.53Å; S320-C350 WeakPolarHBondContact CA-O 3.31Å; S320-C350 WeakPolarHBondContact OG-CB 3.43Å; S321-C350 PolarHBondContact N-O 2.84Å; C348-C350 PolarHBondContact SG-O 3.38Å; C348-C350 VanDerWaalsContact SG-O 3.35Å; C350-I401 WeakPolarHBondContact CA-O 3.38Å; C350-I401 HydrophobicContact CB-CB 4.28Å; C350-M644 HydrophobicContact CB-CG 4.23Å; C350-M644 HydrophobicContact CB-SD 4.44Å
351I98.7Very high93.5Very high0 Ų017.5 Ų17.50%012%0.116CC..EExtended strand (participates in β ladder)trans-124.7151.6-177.452.9167.4000110.9T324 Y340 V343 L344 L353 I388 V400 I401 L402 S403T324-I351 HydrophobicContact CG2-CB 4.13Å; T324-I351 HydrophobicContact CG2-CG2 3.93Å; Y340-I351 HydrophobicContact CD1-CB 4.49Å; Y340-I351 HydrophobicContact CD1-CD1 3.75Å; Y340-I351 HydrophobicContact CE1-CD1 4.23Å; V343-I351 HydrophobicContact CG1-CG2 3.89Å; L344-I351 HydrophobicContact CD1-CD1 4.23Å; L344-I351 HydrophobicContact CD2-CD1 4.23Å; L344-I351 HydrophobicContact CD2-CG2 4.3Å; L344-I351 HydrophobicContact CG-CD1 4.4Å; I351-L353 HydrophobicContact CG1-CD1 4.45Å; I351-I388 HydrophobicContact CD1-CD1 3.59Å; I351-I388 HydrophobicContact CD1-CG1 3.77Å; I351-I388 HydrophobicContact CD1-CG2 4.43Å; I351-V400 HydrophobicContact CG1-CG1 4.43Å; I351-I401 PolarHBondContact N-O 2.95Å; I351-L402 HydrophobicContact CD1-CD2 3.48Å; I351-L402 VanDerWaalsContact CD1-CD2 3.48Å; I351-L402 HydrophobicContact CG1-CD2 3.5Å; I351-S403 PolarHBondContact O-N 3.17Å
352E98.2Very high92.5Very high3 Ų320.2 Ų20.21%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-110.5138.1-173.2-179157.3-116.900112.1H322 N323 T324 Y340 S403 R619H322-E352 WeakPolarHBondContact CA-OE2 3.42Å; H322-E352 IonicContact CD2-OE2 2.94Å; H322-E352 PolarHBondContact CD2-OE2 3.42Å; H322-E352 IonicContact CG-OE2 3.89Å; H322-E352 IonicContact NE2-OE2 3.95Å; N323-E352 PolarHBondContact N-OE2 2.85Å; N323-E352 PolarHBondContact OD1-OE2 3.35Å; T324-E352 PolarHBondContact OG1-N 3.01Å; Y340-E352 WeakPolarHBondContact CE1-O 3.24Å; Y340-E352 PolarHBondContact OH-O 3.02Å; E352-S403 WeakPolarHBondContact CA-O 3.41Å; E352-R619 IonicContact OE1-CZ 3.7Å; E352-R619 VanDerWaalsContact OE1-CZ 3.27Å; E352-R619 IonicContact OE1-NH1 3.26Å; E352-R619 PolarHBondContact OE1-NH1 2.98Å; E352-R619 IonicContact OE1-NH2 2.95Å; E352-R619 PolarHBondContact OE1-NH2 3.43Å; E352-R619 IonicContact OE2-CZ 3.43Å; E352-R619 IonicContact OE2-NH1 3.45Å; E352-R619 IonicContact OE2-NH2 2.79Å; E352-R619 PolarHBondContact OE2-NH2 3.34Å
353L97.9Very high91.6Very high0 Ų020.3 Ų20.30%015%0.148CC..EExtended strand (participates in β ladder)trans-131.8106-179.4-60.284.8000109.9Y340 I351 C355 I369 F381 V384 I385 I388 L402 S403 F404 E405Y340-L353 HydrophobicContact CE1-CD1 4.27Å; Y340-L353 HydrophobicContact CE1-CG 3.92Å; I351-L353 HydrophobicContact CG1-CD1 4.45Å; L353-C355 PolarHBondContact O-N 2.98Å; L353-C355 PolarHBondContact O-SG 3.27Å; L353-I369 HydrophobicContact CB-CD1 4.11Å; L353-I369 HydrophobicContact CD2-CD1 3.86Å; L353-I369 HydrophobicContact CG-CD1 4.23Å; L353-F381 HydrophobicContact CD2-CD2 4.5Å; L353-F381 HydrophobicContact CD2-CE2 4.09Å; L353-V384 HydrophobicContact CD2-CG1 3.81Å; L353-I385 HydrophobicContact CD2-CD1 4.01Å; L353-I388 HydrophobicContact CD2-CD1 4.07Å; L353-L402 HydrophobicContact CD1-CB 4.02Å; L353-L402 HydrophobicContact CD1-CD2 4.24Å; L353-S403 PolarHBondContact N-O 3.12Å; L353-F404 HydrophobicContact CB-CD1 3.93Å; L353-F404 HydrophobicContact CB-CE1 4.2Å; L353-F404 HydrophobicContact CD1-CD1 3.99Å; L353-F404 HydrophobicContact CD1-CE1 3.88Å; L353-F404 HydrophobicContact CD2-CD1 4.37Å; L353-F404 HydrophobicContact CD2-CE1 3.79Å; L353-F404 HydrophobicContact CG-CD1 4.32Å; L353-F404 HydrophobicContact CG-CE1 4.18Å; L353-F404 WeakPolarHBondContact O-CA 3.5Å; L353-E405 PolarHBondContact O-N 3.44Å
354D95.9Very high91Very high4 Ų426.5 Ų26.52%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-86.499176.8-75.125.7000109.7Y325 I369 T370Y325-D354 HydrophobicContact CE1-CB 3.74Å; Y325-D354 VanDerWaalsContact OH-CG 3.3Å; Y325-D354 PolarHBondContact OH-OD2 3.29Å; D354-I369 VanDerWaalsContact O-CA 3.23Å; D354-I369 WeakPolarHBondContact O-CA 3.36Å; D354-T370 WeakPolarHBondContact CB-O 3.46Å; D354-T370 PolarHBondContact O-N 3.07Å
355C96.5Very high90.6Very high0 Ų030.3 Ų30.30%020%0.195CC..EExtended strand (participates in β ladder)trans-94.8125.8-167.6-56.30000111.2L353 I368 E405 H407 M416L353-C355 PolarHBondContact O-N 2.98Å; L353-C355 PolarHBondContact O-SG 3.27Å; C355-I368 WeakPolarHBondContact CA-O 3.41Å; C355-E405 PolarHBondContact N-O 2.92Å; C355-H407 WeakPolarHBondContact O-CA 3.3Å; C355-H407 VanDerWaalsContact O-CB 3.31Å; C355-H407 WeakPolarHBondContact O-CB 3.45Å; C355-H407 PolarHBondContact O-N 3.3Å; C355-M416 HydrophobicContact CB-CE 3.58Å; C355-M416 HydrophobicContact CB-SD 4.02Å; C355-M416 WeakPolarHBondContact SG-CE 3.34Å
356W94.1Very high90.7Very high47 Ų4731.7 Ų31.718%0.17820%0.201CC..EExtended strand (participates in β ladder)trans-133157.6-176.6-70.987.3000112.1I368 T370 G372 H407 C408 T553W356-I368 HydrophobicContact CB-CD1 4.35Å; W356-I368 HydrophobicContact CB-CG1 3.94Å; W356-I368 PolarHBondContact N-O 2.96Å; W356-I368 VanDerWaalsContact O-CG1 3.26Å; W356-I368 WeakPolarHBondContact O-CG1 3.37Å; W356-I368 PolarHBondContact O-N 3.17Å; W356-T370 HydrophobicContact CB-CG2 4.49Å; W356-T370 HydrophobicContact CG-CG2 4.24Å; W356-T370 PolarHBondContact NE1-O 3.01Å; W356-G372 VanDerWaalsContact CZ2-CA 3.42Å; W356-H407 HydrophobicContact CD2-CB 3.64Å; W356-H407 AromaticContact CE2-CD2 3.31Å; W356-H407 AromaticContact CE2-CG 3.61Å; W356-H407 HydrophobicContact CE3-CB 3.63Å; W356-H407 HydrophobicContact CG-CB 4.27Å; W356-H407 HydrophobicContact CH2-CB 4.07Å; W356-H407 AromaticContact CH2-CG 3.87Å; W356-H407 HydrophobicContact CZ2-CB 4.01Å; W356-H407 AromaticContact CZ2-CD2 3.41Å; W356-H407 VanDerWaalsContact CZ2-CD2 3.41Å; W356-H407 WeakPolarHBondContact CZ2-CD2 3.31Å; W356-H407 AromaticContact CZ2-CG 3.52Å; W356-H407 AromaticContact CZ2-ND1 3.97Å; W356-H407 AromaticContact CZ2-NE2 3.75Å; W356-H407 HydrophobicContact CZ3-CB 3.86Å; W356-H407 AromaticContact NE1-CD2 3.44Å; W356-H407 PolarHBondContact NE1-CD2 2.96Å; W356-C408 PolarHBondContact O-SG 2.93Å; W356-C408 VanDerWaalsContact O-SG 3.39Å; W356-T553 WeakPolarHBondContact CH2-OG1 3.15Å
357D93.1Very high90.9Very high59 Ų5930.9 Ų30.932%0.31620%0.195SC..EExtended strand (participates in β ladder)trans-75.8123.8172-73.9-15.1000111.4C408 S409 N412D357-C408 VanDerWaalsContact OD1-CA 3.25Å; D357-C408 WeakPolarHBondContact OD1-CA 3.34Å; D357-C408 VanDerWaalsContact OD1-CB 3.32Å; D357-C408 WeakPolarHBondContact OD1-CB 3.42Å; D357-C408 PolarHBondContact OD1-SG 2.79Å; D357-S409 PolarHBondContact OD1-N 3.22Å; D357-S409 VanDerWaalsContact OD1-N 3.13Å; D357-S409 PolarHBondContact OD1-OG 2.88Å; D357-S409 WeakPolarHBondContact OD2-CB 3.28Å; D357-S409 PolarHBondContact OD2-N 3.18Å; D357-S409 PolarHBondContact OD2-OG 3.23Å; D357-N412 WeakPolarHBondContact OD1-CB 3.43Å; D357-N412 PolarHBondContact OD1-ND2 3.39Å
358G89.7Confident91Very high9 Ų931.4 Ų31.49%0.09320%0.197CC..  trans-74.3127.6177.200000112.2G363 D365 E366G358-G363 CarbonylContact C-O 3.43Å; G358-G363 WeakPolarHBondContact CA-O 3.09Å; G358-D365 PolarHBondContact O-N 3.29Å; G358-E366 WeakPolarHBondContact CA-O 3.24Å; G358-E366 PolarHBondContact N-O 3.32Å
359S83.8Confident90.8Very high74 Ų7431.4 Ų31.452%0.51720%0.197SC..  trans-110-5.2-171.152.30000114.3
360S79.3Confident90.6Very high34 Ų3432.2 Ų32.224%0.23820%0.202CC..SBendtrans-161160.9-175.450.20000113G363 K364 R526S360-G363 PolarHBondContact O-N 3.12Å; S360-K364 PolarHBondContact O-N 2.91Å; S360-R526 PolarHBondContact OG-NH2 3.49Å
361G78.9Confident90Very high67 Ų6733.4 Ų33.469%0.69121%0.208SC*.G310 helixtrans65.4-149173.700000113.2G363 K364G361-G363 PolarHBondContact O-N 3.16Å; G361-K364 WeakPolarHBondContact O-CB 3.28Å; G361-K364 PolarHBondContact O-N 3.4Å; G361-K364 VanDerWaalsContact O-N 3.13Å
362A73.2Confident89.2Confident93 Ų9333.6 Ų33.677%0.76921%0.21SC*.G310 helixtrans-62.7-21.1177.100000113.3
363G76.3Confident88.3Confident5 Ų539.7 Ų39.75%0.05224%0.236CC..G310 helixtrans-87-1.1176.400000114.6G358 S360 G361 D365 E366G358-G363 CarbonylContact C-O 3.43Å; G358-G363 WeakPolarHBondContact CA-O 3.09Å; S360-G363 PolarHBondContact O-N 3.12Å; G361-G363 PolarHBondContact O-N 3.16Å; G363-D365 PolarHBondContact O-N 3.23Å; G363-E366 PolarHBondContact O-N 3.25Å
364K84.6Confident87.4Confident130 Ų13039.8 Ų39.857%0.56524%0.237SC*.THydrogen-bonded Turntrans-59.3128.7-179.5-171.8-173.2173.1-173.80110.1S360 G361 E366S360-K364 PolarHBondContact O-N 2.91Å; G361-K364 WeakPolarHBondContact O-CB 3.28Å; G361-K364 PolarHBondContact O-N 3.4Å; G361-K364 VanDerWaalsContact O-N 3.13Å; K364-E366 PolarHBondContact O-N 3.25Å
365D88Confident86.8Confident80 Ų8044.5 Ų44.543%0.42826%0.26SS..THydrogen-bonded Turntrans63.612.9-176.7-61.6-65.7000114.4G358 G363 N412 K415G358-D365 PolarHBondContact O-N 3.29Å; G363-D365 PolarHBondContact O-N 3.23Å; D365-N412 PolarHBondContact O-OD1 3.04Å; D365-K415 PolarHBondContact O-NZ 3.09Å
366E94.7Very high86.2Confident44 Ų4445.3 Ų45.321%0.20627%0.266CS..SBendtrans-113.7150.6174.5-71.7-63.613300110.9G358 G363 K364 L380 K415 Y419G358-E366 WeakPolarHBondContact CA-O 3.24Å; G358-E366 PolarHBondContact N-O 3.32Å; G363-E366 PolarHBondContact O-N 3.25Å; K364-E366 PolarHBondContact O-N 3.25Å; E366-L380 HydrophobicContact CB-CD2 4.32Å; E366-K415 IonicContact OE1-NZ 2.65Å; E366-K415 PolarHBondContact OE1-NZ 3.34Å; E366-Y419 WeakPolarHBondContact OE2-CE2 3.24Å; E366-Y419 PolarHBondContact OE2-OH 2.98Å
367P95.6Very high86.1Confident0 Ų046.2 Ų46.20%028%0.276CS..EExtended strand (participates in β ladder)trans-67.1132.3168.126.5-30.6000110.4F381 N412 K415 M416 Y419P367-F381 HydrophobicContact CB-CB 3.86Å; P367-F381 HydrophobicContact CB-CG 4.28Å; P367-F381 HydrophobicContact CG-CB 3.99Å; P367-F381 HydrophobicContact CG-CD1 4.3Å; P367-F381 HydrophobicContact CG-CG 4.35Å; P367-F381 WeakPolarHBondContact O-CB 3.36Å; P367-F381 PolarHBondContact O-N 3.33Å; P367-N412 HydrophobicContact CB-CB 4.4Å; P367-K415 HydrophobicContact CG-CB 4.31Å; P367-M416 HydrophobicContact CB-CG 3.66Å; P367-M416 HydrophobicContact CB-SD 4.25Å; P367-M416 HydrophobicContact CG-CG 3.89Å; P367-Y419 HydrophobicContact CG-CD2 4.3Å; P367-Y419 HydrophobicContact CG-CE2 4.02Å
368I96.1Very high86Confident11 Ų1147 Ų476%0.05628%0.281CS..EExtended strand (participates in β ladder)trans-119.4164.8177.860.3163.7000110.7C355 W356 T370 D378 I379 L380C355-I368 WeakPolarHBondContact CA-O 3.41Å; W356-I368 HydrophobicContact CB-CD1 4.35Å; W356-I368 HydrophobicContact CB-CG1 3.94Å; W356-I368 PolarHBondContact N-O 2.96Å; W356-I368 VanDerWaalsContact O-CG1 3.26Å; W356-I368 WeakPolarHBondContact O-CG1 3.37Å; W356-I368 PolarHBondContact O-N 3.17Å; I368-T370 HydrophobicContact CD1-CG2 4.39Å; I368-D378 HydrophobicContact CB-CB 4.37Å; I368-D378 HydrophobicContact CD1-CB 3.73Å; I368-I379 CarbonylContact C-O 3.46Å; I368-I379 VanDerWaalsContact CA-O 3.3Å; I368-I379 WeakPolarHBondContact CA-O 3.45Å; I368-L380 HydrophobicContact CG2-CD2 4.27Å
369I95.8Very high86.2Confident0 Ų047.7 Ų47.70%028%0.282CS..EExtended strand (participates in β ladder)trans-118.5128.3172.1-64.2168.1000109.7Y325 L353 D354 I379 F381 V384Y325-I369 HydrophobicContact CD1-CG2 3.59Å; Y325-I369 HydrophobicContact CD2-CG2 4.23Å; Y325-I369 HydrophobicContact CE1-CG2 4.25Å; Y325-I369 HydrophobicContact CG-CG2 3.6Å; L353-I369 HydrophobicContact CB-CD1 4.11Å; L353-I369 HydrophobicContact CD2-CD1 3.86Å; L353-I369 HydrophobicContact CG-CD1 4.23Å; D354-I369 VanDerWaalsContact O-CA 3.23Å; D354-I369 WeakPolarHBondContact O-CA 3.36Å; I369-I379 HydrophobicContact CB-CD1 4.42Å; I369-I379 HydrophobicContact CB-CG1 3.89Å; I369-I379 HydrophobicContact CG2-CG1 4.41Å; I369-I379 PolarHBondContact N-O 2.93Å; I369-I379 PolarHBondContact O-N 2.86Å; I369-I379 VanDerWaalsContact O-N 3.11Å; I369-F381 HydrophobicContact CD1-CB 4.45Å; I369-F381 HydrophobicContact CD1-CD2 3.93Å; I369-F381 HydrophobicContact CG1-CB 4.39Å; I369-F381 HydrophobicContact CG1-CD2 4.14Å; I369-V384 HydrophobicContact CD1-CB 3.75Å; I369-V384 HydrophobicContact CD1-CG1 3.74Å; I369-V384 HydrophobicContact CD1-CG2 3.76Å
370T93.1Very high86.8Confident17 Ų1746.4 Ų46.410%0.10427%0.269CS..  trans-165.8160.4176.7-166.20000110.6D354 W356 I368 G372 C376 T377D354-T370 WeakPolarHBondContact CB-O 3.46Å; D354-T370 PolarHBondContact O-N 3.07Å; W356-T370 HydrophobicContact CB-CG2 4.49Å; W356-T370 HydrophobicContact CG-CG2 4.24Å; W356-T370 PolarHBondContact NE1-O 3.01Å; I368-T370 HydrophobicContact CD1-CG2 4.39Å; T370-G372 PolarHBondContact O-N 3.26Å; T370-C376 PolarHBondContact OG1-O 2.9Å; T370-T377 PolarHBondContact OG1-O 3.12Å
371H87.5Confident87.7Confident24 Ų2444.8 Ų44.811%0.11126%0.258CS..  trans-77.6105.6167.8-168.9-141.7000109Y325 Q330 K373 A374 C376 Y550Y325-H371 HydrophobicContact CE2-CB 3.94Å; Y325-H371 WeakPolarHBondContact OH-CA 3.44Å; Y325-H371 WeakPolarHBondContact OH-CB 3.26Å; Q330-H371 PolarHBondContact O-ND1 2.87Å; H371-K373 PolarHBondContact O-N 3.15Å; H371-A374 HydrophobicContact CB-CB 4.06Å; H371-A374 WeakPolarHBondContact ND1-CB 3.35Å; H371-A374 WeakPolarHBondContact O-CB 3.35Å; H371-A374 PolarHBondContact O-N 2.91Å; H371-A374 VanDerWaalsContact O-N 3.15Å; H371-C376 HydrophobicContact CB-CB 4.29Å; H371-Y550 PolarHBondContact NE2-OH 2.95Å
372G81.6Confident88.5Confident4 Ų445.7 Ų45.74%0.04124%0.243CC..THydrogen-bonded Turntrans-53.4132.4-169.800000113.2W356 T370 A374 Y550W356-G372 VanDerWaalsContact CZ2-CA 3.42Å; T370-G372 PolarHBondContact O-N 3.26Å; G372-A374 PolarHBondContact O-N 3.4Å; G372-Y550 WeakPolarHBondContact O-CE2 3.23Å; G372-Y550 PolarHBondContact O-OH 3.48Å; G372-Y550 VanDerWaalsContact O-OH 3.13Å
373K78.4Confident89.6Confident132 Ų13244.2 Ų44.257%0.57422%0.221SC*.THydrogen-bonded Turntrans56.98.6-179.9-56.2178.8-173.9171.50115.9H371 Y550H371-K373 PolarHBondContact O-N 3.15Å; K373-Y550 HydrophobicContact CB-CE2 4.21Å
374A79.9Confident90.7Very high2 Ų244 Ų442%0.01722%0.219CC..THydrogen-bonded Turntrans-95.913.7-177.200000114.2Q330 F331 G332 H371 G372 C376 Y550Q330-A374 WeakPolarHBondContact O-CB 3.34Å; F331-A374 WeakPolarHBondContact CA-O 3.4Å; F331-A374 HydrophobicContact CD1-CB 3.83Å; F331-A374 HydrophobicContact CE1-CB 4Å; F331-A374 HydrophobicContact CG-CB 4.38Å; G332-A374 PolarHBondContact N-O 3.36Å; H371-A374 HydrophobicContact CB-CB 4.06Å; H371-A374 WeakPolarHBondContact ND1-CB 3.35Å; H371-A374 WeakPolarHBondContact O-CB 3.35Å; H371-A374 PolarHBondContact O-N 2.91Å; H371-A374 VanDerWaalsContact O-N 3.15Å; G372-A374 PolarHBondContact O-N 3.4Å; A374-C376 PolarHBondContact O-N 2.89Å; A374-C376 VanDerWaalsContact O-N 3.14Å; A374-Y550 HydrophobicContact CB-CE2 3.96Å
375M81.7Confident91.3Very high103 Ų10337.8 Ų37.851%0.50719%0.192SC..THydrogen-bonded Turntrans56.722.2-175.8-54.2-146.3-62.700115.1L546M375-L546 HydrophobicContact CE-CD1 4.07Å; M375-L546 HydrophobicContact CE-CD2 3.96Å
376C85.5Confident91.7Very high17 Ų1737 Ų3712%0.11519%0.187CC..  trans-74.2158.3173.1-650000110.9L326 Q330 G333 T370 H371 A374L326-C376 HydrophobicContact CD2-CB 4.38Å; Q330-C376 PolarHBondContact O-SG 3.41Å; Q330-C376 VanDerWaalsContact O-SG 3.37Å; G333-C376 WeakPolarHBondContact O-CA 3.41Å; G333-C376 VanDerWaalsContact O-CB 3.26Å; G333-C376 WeakPolarHBondContact O-CB 3.48Å; T370-C376 PolarHBondContact OG1-O 2.9Å; H371-C376 HydrophobicContact CB-CB 4.29Å; A374-C376 PolarHBondContact O-N 2.89Å; A374-C376 VanDerWaalsContact O-N 3.14Å
377T91.2Very high91.8Very high65 Ų6535 Ų3540%0.39918%0.177SC..  trans-68.8158.1171.665.70000110.6G333 S335 T370G333-T377 PolarHBondContact O-N 2.55Å; S335-T377 VanDerWaalsContact CB-O 3.22Å; S335-T377 WeakPolarHBondContact CB-O 3.29Å; S335-T377 PolarHBondContact N-OG1 3.26Å; S335-T377 PolarHBondContact O-OG1 2.97Å; S335-T377 PolarHBondContact OG-O 2.79Å; T370-T377 PolarHBondContact OG1-O 3.12Å
378D90.9Very high91.9Very high77 Ų7735 Ų3541%0.41218%0.177SC..  trans-106.6143.9176.753.4-32.7000111.6I368I368-D378 HydrophobicContact CB-CB 4.37Å; I368-D378 HydrophobicContact CD1-CB 3.73Å
379I94.8Very high91.9Very high22 Ų2239.2 Ų39.211%0.11320%0.195CC..EExtended strand (participates in β ladder)trans-126151.5173.259.8-177.1000109.4V337 Y340 I368 I369 V384V337-I379 HydrophobicContact CG2-CB 3.99Å; V337-I379 HydrophobicContact CG2-CD1 4.07Å; V337-I379 HydrophobicContact CG2-CG1 4.47Å; V337-I379 HydrophobicContact CG2-CG2 4.25Å; Y340-I379 HydrophobicContact CE2-CD1 4.16Å; I368-I379 CarbonylContact C-O 3.46Å; I368-I379 VanDerWaalsContact CA-O 3.3Å; I368-I379 WeakPolarHBondContact CA-O 3.45Å; I369-I379 HydrophobicContact CB-CD1 4.42Å; I369-I379 HydrophobicContact CB-CG1 3.89Å; I369-I379 HydrophobicContact CG2-CG1 4.41Å; I369-I379 PolarHBondContact N-O 2.93Å; I369-I379 PolarHBondContact O-N 2.86Å; I369-I379 VanDerWaalsContact O-N 3.11Å; I379-V384 HydrophobicContact CD1-CG2 3.52Å; I379-V384 HydrophobicContact CG1-CG2 4Å
380L96.3Very high91.8Very high48 Ų4844.4 Ų44.425%0.25122%0.219SC..EExtended strand (participates in β ladder)trans-71133.5-179.8-65.5176.5000110.6E366 I368 K382 D383 V384E366-L380 HydrophobicContact CB-CD2 4.32Å; I368-L380 HydrophobicContact CG2-CD2 4.27Å; L380-K382 PolarHBondContact O-N 3.4Å; L380-D383 HydrophobicContact CB-CB 4.27Å; L380-D383 PolarHBondContact O-N 3Å; L380-V384 PolarHBondContact O-N 3.46Å
381F97.2Very high91.8Very high0 Ų043.6 Ų43.60%022%0.215CC..Hα-helixtrans-58.4-40.3174.8176.5-87.5000111.1L353 P367 I369 D383 V384 I385 F404 M416 Y419L353-F381 HydrophobicContact CD2-CD2 4.5Å; L353-F381 HydrophobicContact CD2-CE2 4.09Å; P367-F381 HydrophobicContact CB-CB 3.86Å; P367-F381 HydrophobicContact CB-CG 4.28Å; P367-F381 HydrophobicContact CG-CB 3.99Å; P367-F381 HydrophobicContact CG-CD1 4.3Å; P367-F381 HydrophobicContact CG-CG 4.35Å; P367-F381 WeakPolarHBondContact O-CB 3.36Å; P367-F381 PolarHBondContact O-N 3.33Å; I369-F381 HydrophobicContact CD1-CB 4.45Å; I369-F381 HydrophobicContact CD1-CD2 3.93Å; I369-F381 HydrophobicContact CG1-CB 4.39Å; I369-F381 HydrophobicContact CG1-CD2 4.14Å; F381-D383 VanDerWaalsContact C-N 3.32Å; F381-D383 PolarHBondContact O-N 3.45Å; F381-V384 PolarHBondContact O-N 3.24Å; F381-I385 HydrophobicContact CD1-CG1 3.75Å; F381-I385 HydrophobicContact CE1-CD1 3.92Å; F381-I385 HydrophobicContact CE1-CG1 3.33Å; F381-I385 HydrophobicContact CE2-CD1 4.13Å; F381-I385 HydrophobicContact CE2-CG1 4.29Å; F381-I385 HydrophobicContact CG-CG1 4.41Å; F381-I385 HydrophobicContact CZ-CD1 3.66Å; F381-I385 HydrophobicContact CZ-CG1 3.64Å; F381-I385 WeakPolarHBondContact O-CG1 3.46Å; F381-I385 PolarHBondContact O-N 3.37Å; F381-F404 HydrophobicContact CE2-CE1 4.21Å; F381-F404 HydrophobicContact CE2-CE2 4.15Å; F381-F404 AromaticContact CE2-CZ 3.81Å; F381-F404 HydrophobicContact CE2-CZ 3.81Å; F381-F404 HydrophobicContact CZ-CE1 4.43Å; F381-F404 AromaticContact CZ-CE2 3.94Å; F381-F404 HydrophobicContact CZ-CE2 3.94Å; F381-F404 AromaticContact CZ-CZ 3.63Å; F381-F404 HydrophobicContact CZ-CZ 3.63Å; F381-M416 HydrophobicContact CD1-CB 4.47Å; F381-M416 HydrophobicContact CD1-CG 4.09Å; F381-M416 HydrophobicContact CD2-CE 4.47Å; F381-M416 HydrophobicContact CD2-CG 4.35Å; F381-M416 HydrophobicContact CE1-CB 3.85Å; F381-M416 HydrophobicContact CE1-CG 3.92Å; F381-M416 HydrophobicContact CE2-CE 3.89Å; F381-M416 HydrophobicContact CE2-CG 4.21Å; F381-M416 HydrophobicContact CG-CG 4.29Å; F381-M416 HydrophobicContact CZ-CB 3.91Å; F381-M416 HydrophobicContact CZ-CE 4.17Å; F381-M416 HydrophobicContact CZ-CG 3.98Å; F381-Y419 HydrophobicContact CD1-CD2 4.02Å; F381-Y419 HydrophobicContact CE1-CD2 4.45Å
382K96.6Very high92.2Very high86 Ų8642.5 Ų42.537%0.37421%0.21SC..Hα-helixtrans-57.2-44.4178.8-168.7-177.4-179.61780112.1L380 V384 I385 M386 Y419 I423L380-K382 PolarHBondContact O-N 3.4Å; K382-V384 VanDerWaalsContact C-N 3.33Å; K382-V384 PolarHBondContact O-N 2.94Å; K382-I385 PolarHBondContact O-N 2.95Å; K382-M386 HydrophobicContact CG-CE 4.19Å; K382-M386 WeakPolarHBondContact O-CG 3.41Å; K382-M386 PolarHBondContact O-N 2.91Å; K382-Y419 HydrophobicContact CB-CD2 4.05Å; K382-Y419 HydrophobicContact CB-CE2 3.91Å; K382-Y419 HydrophobicContact CD-CD1 4.37Å; K382-Y419 HydrophobicContact CD-CE1 3.91Å; K382-Y419 HydrophobicContact CD-CE2 4.38Å; K382-Y419 HydrophobicContact CG-CD1 4.26Å; K382-Y419 HydrophobicContact CG-CD2 4.29Å; K382-Y419 HydrophobicContact CG-CE1 4.25Å; K382-Y419 HydrophobicContact CG-CE2 4.25Å; K382-Y419 HydrophobicContact CG-CG 4.29Å; K382-I423 HydrophobicContact CG-CD1 4.04Å
383D96.3Very high92.9Very high61 Ų6143.1 Ų43.133%0.32621%0.211SC..Hα-helixtrans-66.9-37.2-179.9-63.5-13.1000111.5V337 L380 F381 M386 A387V337-D383 HydrophobicContact CG1-CB 4.46Å; V337-D383 HydrophobicContact CG2-CB 4.02Å; L380-D383 HydrophobicContact CB-CB 4.27Å; L380-D383 PolarHBondContact O-N 3Å; F381-D383 VanDerWaalsContact C-N 3.32Å; F381-D383 PolarHBondContact O-N 3.45Å; D383-M386 HydrophobicContact CB-CE 4.37Å; D383-M386 PolarHBondContact O-N 2.84Å; D383-M386 WeakPolarHBondContact OD1-CE 3.26Å; D383-A387 WeakPolarHBondContact O-CB 3.48Å; D383-A387 PolarHBondContact O-N 2.76Å
384V98Very high93.5Very high0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-64.2-45173.8171.10000111.7V337 Y340 L353 I369 I379 L380 F381 K382 M386 A387 I388V337-V384 HydrophobicContact CB-CG2 4.5Å; V337-V384 HydrophobicContact CG1-CG2 4.45Å; V337-V384 HydrophobicContact CG2-CG2 3.98Å; Y340-V384 HydrophobicContact CD1-CG1 4.07Å; Y340-V384 HydrophobicContact CD2-CB 4.38Å; Y340-V384 HydrophobicContact CD2-CG1 3.63Å; Y340-V384 HydrophobicContact CD2-CG2 3.94Å; Y340-V384 HydrophobicContact CE1-CG1 3.92Å; Y340-V384 HydrophobicContact CE2-CB 4.24Å; Y340-V384 HydrophobicContact CE2-CG1 3.46Å; Y340-V384 VanDerWaalsContact CE2-CG1 3.46Å; Y340-V384 HydrophobicContact CE2-CG2 3.69Å; Y340-V384 HydrophobicContact CG-CG1 3.91Å; L353-V384 HydrophobicContact CD2-CG1 3.81Å; I369-V384 HydrophobicContact CD1-CB 3.75Å; I369-V384 HydrophobicContact CD1-CG1 3.74Å; I369-V384 HydrophobicContact CD1-CG2 3.76Å; I379-V384 HydrophobicContact CD1-CG2 3.52Å; I379-V384 HydrophobicContact CG1-CG2 4Å; L380-V384 PolarHBondContact O-N 3.46Å; F381-V384 PolarHBondContact O-N 3.24Å; K382-V384 VanDerWaalsContact C-N 3.33Å; K382-V384 PolarHBondContact O-N 2.94Å; V384-M386 VanDerWaalsContact C-N 3.32Å; V384-M386 PolarHBondContact O-N 2.76Å; V384-A387 WeakPolarHBondContact O-CB 3.44Å; V384-A387 PolarHBondContact O-N 2.96Å; V384-I388 HydrophobicContact CG1-CD1 3.7Å; V384-I388 HydrophobicContact CG1-CG1 4.34Å; V384-I388 VanDerWaalsContact O-CG1 3.25Å; V384-I388 WeakPolarHBondContact O-CG1 3.45Å; V384-I388 PolarHBondContact O-N 3.44Å
385I98.2Very high93.9Very high0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-63.3-38.2177-63.9-51.2000111.6L353 F381 K382 I388 K389 L402 I423 F424L353-I385 HydrophobicContact CD2-CD1 4.01Å; F381-I385 HydrophobicContact CD1-CG1 3.75Å; F381-I385 HydrophobicContact CE1-CD1 3.92Å; F381-I385 HydrophobicContact CE1-CG1 3.33Å; F381-I385 HydrophobicContact CE2-CD1 4.13Å; F381-I385 HydrophobicContact CE2-CG1 4.29Å; F381-I385 HydrophobicContact CG-CG1 4.41Å; F381-I385 HydrophobicContact CZ-CD1 3.66Å; F381-I385 HydrophobicContact CZ-CG1 3.64Å; F381-I385 WeakPolarHBondContact O-CG1 3.46Å; F381-I385 PolarHBondContact O-N 3.37Å; K382-I385 PolarHBondContact O-N 2.95Å; I385-I388 HydrophobicContact CD1-CD1 4.3Å; I385-I388 PolarHBondContact O-N 2.86Å; I385-K389 PolarHBondContact O-N 3.34Å; I385-L402 HydrophobicContact CD1-CD1 4.47Å; I385-I423 HydrophobicContact CB-CD1 4.24Å; I385-I423 HydrophobicContact CG2-CB 3.83Å; I385-I423 HydrophobicContact CG2-CD1 3.81Å; I385-I423 HydrophobicContact CG2-CG1 4.42Å; I385-I423 HydrophobicContact CG2-CG2 3.87Å; I385-F424 HydrophobicContact CB-CZ 4.35Å; I385-F424 HydrophobicContact CD1-CE2 4.1Å; I385-F424 HydrophobicContact CD1-CZ 3.89Å; I385-F424 HydrophobicContact CG2-CD1 4.28Å; I385-F424 HydrophobicContact CG2-CD2 4.33Å; I385-F424 HydrophobicContact CG2-CE1 3.79Å; I385-F424 HydrophobicContact CG2-CE2 3.86Å; I385-F424 HydrophobicContact CG2-CZ 3.58Å; I385-F424 WeakPolarHBondContact O-CE1 3.47Å
386M96.7Very high94.5Very high65 Ų6537 Ų3732%0.3219%0.19SC..Hα-helixtrans-62.8-46.3173.2-69-174.6-65.700111.5K382 D383 V384 I388 K389 E390 I423K382-M386 HydrophobicContact CG-CE 4.19Å; K382-M386 WeakPolarHBondContact O-CG 3.41Å; K382-M386 PolarHBondContact O-N 2.91Å; D383-M386 HydrophobicContact CB-CE 4.37Å; D383-M386 PolarHBondContact O-N 2.84Å; D383-M386 WeakPolarHBondContact OD1-CE 3.26Å; V384-M386 VanDerWaalsContact C-N 3.32Å; V384-M386 PolarHBondContact O-N 2.76Å; M386-I388 VanDerWaalsContact C-N 3.35Å; M386-I388 PolarHBondContact O-N 3.33Å; M386-K389 WeakPolarHBondContact O-CB 3.4Å; M386-K389 PolarHBondContact O-N 3.23Å; M386-E390 WeakPolarHBondContact O-CG 3.48Å; M386-E390 PolarHBondContact O-N 3.43Å; M386-I423 HydrophobicContact CG-CD1 3.9Å; M386-I423 HydrophobicContact CG-CG2 4.12Å
387A96.1Very high95Very high0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-60.6-41.8176.700000112.8V337 R341 D383 V384 K389 E390 S391V337-A387 HydrophobicContact CG1-CB 3.51Å; R341-A387 HydrophobicContact CG-CB 3.9Å; D383-A387 WeakPolarHBondContact O-CB 3.48Å; D383-A387 PolarHBondContact O-N 2.76Å; V384-A387 WeakPolarHBondContact O-CB 3.44Å; V384-A387 PolarHBondContact O-N 2.96Å; A387-K389 PolarHBondContact O-N 2.99Å; A387-E390 PolarHBondContact O-N 3.48Å; A387-S391 PolarHBondContact O-N 3.25Å; A387-S391 VanDerWaalsContact O-N 3.12Å
388I98.2Very high95.4Very high0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-63.1-42.9176.7-68.6165.5000110.4Y340 L344 I351 L353 V384 I385 M386 E390 S391 A392 L402 F424 I454Y340-I388 HydrophobicContact CD1-CD1 4.14Å; Y340-I388 HydrophobicContact CD1-CG1 4.28Å; Y340-I388 HydrophobicContact CE1-CD1 4.49Å; L344-I388 HydrophobicContact CD1-CB 4.32Å; L344-I388 HydrophobicContact CD1-CG1 4.16Å; L344-I388 HydrophobicContact CD1-CG2 4.18Å; I351-I388 HydrophobicContact CD1-CD1 3.59Å; I351-I388 HydrophobicContact CD1-CG1 3.77Å; I351-I388 HydrophobicContact CD1-CG2 4.43Å; L353-I388 HydrophobicContact CD2-CD1 4.07Å; V384-I388 HydrophobicContact CG1-CD1 3.7Å; V384-I388 HydrophobicContact CG1-CG1 4.34Å; V384-I388 VanDerWaalsContact O-CG1 3.25Å; V384-I388 WeakPolarHBondContact O-CG1 3.45Å; V384-I388 PolarHBondContact O-N 3.44Å; I385-I388 HydrophobicContact CD1-CD1 4.3Å; I385-I388 PolarHBondContact O-N 2.86Å; M386-I388 VanDerWaalsContact C-N 3.35Å; M386-I388 PolarHBondContact O-N 3.33Å; I388-E390 VanDerWaalsContact C-N 3.25Å; I388-E390 PolarHBondContact O-N 3.33Å; I388-S391 PolarHBondContact O-N 3.02Å; I388-A392 HydrophobicContact CG2-CB 4.32Å; I388-A392 WeakPolarHBondContact O-CA 3.38Å; I388-A392 WeakPolarHBondContact O-CB 3.47Å; I388-A392 PolarHBondContact O-N 3.48Å; I388-L402 HydrophobicContact CD1-CD2 4.11Å; I388-L402 HydrophobicContact CG2-CD2 4.22Å; I388-F424 HydrophobicContact CB-CE1 4.08Å; I388-F424 HydrophobicContact CB-CZ 4.15Å; I388-F424 HydrophobicContact CG2-CE1 3.78Å; I388-F424 HydrophobicContact CG2-CZ 3.77Å; I388-I454 HydrophobicContact CG2-CD1 4.39Å
389K96.7Very high95.7Very high100 Ų10033.6 Ų33.644%0.43517%0.168SC..Hα-helixtrans-57.2-42.1178.1-178.2-167.9-176.3161.20111.6I385 M386 A387 I423 F424 L427I385-K389 PolarHBondContact O-N 3.34Å; M386-K389 WeakPolarHBondContact O-CB 3.4Å; M386-K389 PolarHBondContact O-N 3.23Å; A387-K389 PolarHBondContact O-N 2.99Å; K389-I423 HydrophobicContact CB-CG2 4.15Å; K389-I423 HydrophobicContact CD-CG2 3.79Å; K389-I423 WeakPolarHBondContact CD-O 3.36Å; K389-I423 WeakPolarHBondContact CE-O 3.28Å; K389-I423 PolarHBondContact NZ-O 3.16Å; K389-F424 HydrophobicContact CB-CD1 3.96Å; K389-F424 HydrophobicContact CB-CE1 4.08Å; K389-F424 HydrophobicContact CG-CD1 4.46Å; K389-L427 HydrophobicContact CG-CD1 4.27Å
390E92.5Very high95.9Very high109 Ų10932.5 Ų32.551%0.50916%0.163SC..Hα-helixtrans-67.6-45.1-178.3-68.8165.5175.500111.8R341 M386 A387 I388 V394R341-E390 IonicContact CZ-OE2 2.86Å; R341-E390 IonicContact NE-OE2 2.89Å; R341-E390 PolarHBondContact NE-OE2 3.34Å; R341-E390 VanDerWaalsContact NE-OE2 3.09Å; R341-E390 IonicContact NH2-OE2 2.98Å; R341-E390 PolarHBondContact NH2-OE2 3.16Å; M386-E390 WeakPolarHBondContact O-CG 3.48Å; M386-E390 PolarHBondContact O-N 3.43Å; A387-E390 PolarHBondContact O-N 3.48Å; I388-E390 VanDerWaalsContact C-N 3.25Å; I388-E390 PolarHBondContact O-N 3.33Å; E390-V394 WeakPolarHBondContact O-CG2 3.48Å
391S94Very high96.1Very high1 Ų130.3 Ų30.31%0.00715%0.151CC..Hα-helixtrans-101.1-15.6-169.4-550000115.2R341 A387 I388 F393 V394R341-S391 WeakPolarHBondContact CB-OG 3.47Å; R341-S391 VanDerWaalsContact CG-OG 3.28Å; R341-S391 WeakPolarHBondContact CG-OG 3.15Å; A387-S391 PolarHBondContact O-N 3.25Å; A387-S391 VanDerWaalsContact O-N 3.12Å; I388-S391 PolarHBondContact O-N 3.02Å; S391-F393 PolarHBondContact O-N 3.22Å; S391-F393 VanDerWaalsContact O-N 3.11Å; S391-V394 PolarHBondContact O-N 3.17Å
392A96Very high96.1Very high0 Ų030.3 Ų30.30%015%0.151CC..THydrogen-bonded Turntrans-53.7-39.2-171.800000113.4L344 R349 I388 V400 I454L344-A392 HydrophobicContact CD1-CB 4.48Å; R349-A392 VanDerWaalsContact CZ-O 3.27Å; R349-A392 PolarHBondContact NH1-O 3.06Å; R349-A392 PolarHBondContact NH2-O 2.92Å; I388-A392 HydrophobicContact CG2-CB 4.32Å; I388-A392 WeakPolarHBondContact O-CA 3.38Å; I388-A392 WeakPolarHBondContact O-CB 3.47Å; I388-A392 PolarHBondContact O-N 3.48Å; A392-V400 HydrophobicContact CB-CG2 4.12Å; A392-I454 HydrophobicContact CB-CD1 4.5Å
393F95.5Very high96.2Very high18 Ų1826.2 Ų26.28%0.07913%0.133CC..THydrogen-bonded Turntrans-120.426.9-172.8-50.7-69000113.9S391 S396 Y398 V400 L427 R452 I454S391-F393 PolarHBondContact O-N 3.22Å; S391-F393 VanDerWaalsContact O-N 3.11Å; F393-S396 VanDerWaalsContact CA-O 3.29Å; F393-S396 WeakPolarHBondContact CA-O 3.4Å; F393-Y398 WeakPolarHBondContact CE1-O 3.46Å; F393-V400 HydrophobicContact CE1-CG2 4.02Å; F393-V400 HydrophobicContact CZ-CG2 4.4Å; F393-L427 HydrophobicContact CD2-CD1 4.32Å; F393-L427 HydrophobicContact CD2-CD2 4.13Å; F393-L427 HydrophobicContact CE2-CB 4.29Å; F393-L427 HydrophobicContact CE2-CD1 4.1Å; F393-L427 HydrophobicContact CE2-CD2 3.88Å; F393-L427 HydrophobicContact CE2-CG 4.31Å; F393-R452 HydrophobicContact CD1-CB 4.48Å; F393-R452 HydrophobicContact CD1-CG 4.44Å; F393-R452 HydrophobicContact CG-CB 4.47Å; F393-R452 HydrophobicContact CG-CG 4.4Å; F393-R452 VanDerWaalsContact CZ-C 3.43Å; F393-I454 HydrophobicContact CE2-CD1 4.14Å; F393-I454 HydrophobicContact CE2-CG1 3.9Å; F393-I454 HydrophobicContact CZ-CD1 4.4Å; F393-I454 HydrophobicContact CZ-CG1 3.69Å
394V90.6Very high96.2Very high68 Ų6823.7 Ų23.741%0.41212%0.119SC..THydrogen-bonded Turntrans-77.1-55.6176.5175.60000110.6L345 E390 S391L345-V394 HydrophobicContact CD2-CB 3.87Å; L345-V394 HydrophobicContact CD2-CG1 3.7Å; L345-V394 HydrophobicContact CD2-CG2 4.48Å; E390-V394 WeakPolarHBondContact O-CG2 3.48Å; S391-V394 PolarHBondContact O-N 3.17Å
395T89.3Confident95.9Very high32 Ų3225.4 Ų25.420%0.19613%0.127CC..SBendtrans-81.4-37.2180-46.90000112.4L345 N668L345-T395 WeakPolarHBondContact CA-OG1 3.18Å; L345-T395 WeakPolarHBondContact O-CG2 3.43Å; L345-T395 PolarHBondContact O-OG1 3.06Å; T395-N668 WeakPolarHBondContact CG2-ND2 3.43Å
396S94.5Very high95.7Very high7 Ų725.5 Ų25.55%0.04913%0.128CC..  trans-139.6131.2-172.8172.80000111.7R349 F393 Y398 C669R349-S396 PolarHBondContact NH1-O 3.5Å; R349-S396 VanDerWaalsContact NH1-O 3.08Å; F393-S396 VanDerWaalsContact CA-O 3.29Å; F393-S396 WeakPolarHBondContact CA-O 3.4Å; S396-Y398 VanDerWaalsContact C-N 3.25Å; S396-Y398 PolarHBondContact O-N 2.88Å; S396-Y398 PolarHBondContact OG-N 3.2Å; S396-C669 WeakPolarHBondContact CB-O 3.24Å; S396-C669 PolarHBondContact OG-O 3.43Å
397D96.3Very high95.5Very high78 Ų7823.7 Ų23.742%0.41712%0.119SC..  trans-79-4.6175.1-78-51.7000113.5K451 R452D397-K451 CarbonylContact O-C 3.58Å; D397-K451 WeakPolarHBondContact O-CA 3.32Å; D397-R452 HydrophobicContact CB-CG 4.33Å; D397-R452 PolarHBondContact O-N 3.09Å; D397-R452 IonicContact OD1-NH1 3.39Å; D397-R452 PolarHBondContact OD1-NH1 3.4Å
398Y98.5Very high95.4Very high10 Ų1023.9 Ų23.94%0.03912%0.12CC..SBendtrans-80.1156.7-176.2-69.6-72.2000112.6L305 M309 R349 F393 S396 P447 K451 C669 Y671L305-Y398 HydrophobicContact CD1-CE2 3.7Å; L305-Y398 HydrophobicContact CD2-CE2 4.11Å; L305-Y398 VanDerWaalsContact CD2-OH 3.24Å; L305-Y398 WeakPolarHBondContact CD2-OH 3.45Å; M309-Y398 HydrophobicContact CB-CE1 3.92Å; M309-Y398 HydrophobicContact CE-CD1 3.87Å; M309-Y398 HydrophobicContact CE-CD2 4.28Å; M309-Y398 HydrophobicContact CE-CE1 3.59Å; M309-Y398 HydrophobicContact CE-CE2 4.01Å; M309-Y398 HydrophobicContact CE-CG 4.21Å; M309-Y398 HydrophobicContact CG-CE1 4.07Å; M309-Y398 WeakPolarHBondContact CG-OH 3.49Å; R349-Y398 PolarHBondContact NH1-O 2.88Å; F393-Y398 WeakPolarHBondContact CE1-O 3.46Å; S396-Y398 VanDerWaalsContact C-N 3.25Å; S396-Y398 PolarHBondContact O-N 2.88Å; S396-Y398 PolarHBondContact OG-N 3.2Å; Y398-P447 HydrophobicContact CD1-CB 3.53Å; Y398-P447 HydrophobicContact CE1-CB 4.01Å; Y398-P447 HydrophobicContact CG-CB 4.46Å; Y398-K451 HydrophobicContact CD1-CG 4.38Å; Y398-K451 HydrophobicContact CE1-CG 4.45Å; Y398-C669 HydrophobicContact CD2-CB 3.69Å; Y398-C669 HydrophobicContact CE2-CB 3.86Å; Y398-Y671 HydrophobicContact CG-CD2 4.23Å
399P98.6Very high95.1Very high0 Ų026.2 Ų26.20%014%0.136CC..  trans-56.4147.5-170.318.3-32.8000114.4L313 P447 L450 K453 L455 Y671L313-P399 HydrophobicContact CD2-CG 4.48Å; P399-P447 WeakPolarHBondContact CD-O 3.47Å; P399-L450 HydrophobicContact CB-CB 3.87Å; P399-L450 HydrophobicContact CG-CB 3.71Å; P399-L450 HydrophobicContact CG-CD1 4.44Å; P399-K453 VanDerWaalsContact CA-O 3.22Å; P399-K453 WeakPolarHBondContact CA-O 3.32Å; P399-L455 HydrophobicContact CB-CD1 3.76Å; P399-Y671 HydrophobicContact CG-CE2 4.37Å; P399-Y671 WeakPolarHBondContact O-CE2 3.27Å; P399-Y671 PolarHBondContact O-OH 3.25Å
400V98.8Very high94.8Very high0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-111.8134.5174.6176.30000109.7L344 R349 I351 A392 F393 L402 K453 I454 L455L344-V400 HydrophobicContact CD2-CG1 3.99Å; L344-V400 HydrophobicContact CD2-CG2 4.21Å; R349-V400 CarbonylContact O-C 3.49Å; R349-V400 VanDerWaalsContact O-CA 3.29Å; R349-V400 WeakPolarHBondContact O-CA 3.48Å; I351-V400 HydrophobicContact CG1-CG1 4.43Å; A392-V400 HydrophobicContact CB-CG2 4.12Å; F393-V400 HydrophobicContact CE1-CG2 4.02Å; F393-V400 HydrophobicContact CZ-CG2 4.4Å; V400-L402 HydrophobicContact CG1-CD2 3.97Å; V400-K453 PolarHBondContact N-O 2.88Å; V400-I454 CarbonylContact O-C 3.51Å; V400-I454 VanDerWaalsContact O-CA 3.32Å; V400-I454 WeakPolarHBondContact O-CA 3.34Å; V400-L455 PolarHBondContact O-N 3.32Å
401I98.8Very high94.8Very high1 Ų125 Ų251%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-107.3124.6178.1-57.3171000108.8I318 R349 C350 I351 L455 K457 T570 M644I318-I401 HydrophobicContact CD1-CD1 4.26Å; R349-I401 PolarHBondContact O-N 3.22Å; C350-I401 WeakPolarHBondContact CA-O 3.38Å; C350-I401 HydrophobicContact CB-CB 4.28Å; I351-I401 PolarHBondContact N-O 2.95Å; I401-L455 HydrophobicContact CG1-CB 4.44Å; I401-K457 HydrophobicContact CG2-CB 4.27Å; I401-T570 HydrophobicContact CD1-CG2 4.05Å; I401-T570 HydrophobicContact CG1-CG2 4.21Å; I401-T570 HydrophobicContact CG2-CG2 3.99Å; I401-M644 HydrophobicContact CD1-SD 3.9Å
402L98.6Very high94.8Very high0 Ų025.2 Ų25.20%013%0.13CC..EExtended strand (participates in β ladder)trans-100107.8174.5-53.1-172.4000109.5I351 L353 I385 I388 V400 F404 F424 I454 L455 K457I351-L402 HydrophobicContact CD1-CD2 3.48Å; I351-L402 VanDerWaalsContact CD1-CD2 3.48Å; I351-L402 HydrophobicContact CG1-CD2 3.5Å; L353-L402 HydrophobicContact CD1-CB 4.02Å; L353-L402 HydrophobicContact CD1-CD2 4.24Å; I385-L402 HydrophobicContact CD1-CD1 4.47Å; I388-L402 HydrophobicContact CD1-CD2 4.11Å; I388-L402 HydrophobicContact CG2-CD2 4.22Å; V400-L402 HydrophobicContact CG1-CD2 3.97Å; L402-F404 HydrophobicContact CB-CD1 4.12Å; L402-F404 HydrophobicContact CB-CE1 3.71Å; L402-F404 HydrophobicContact CD1-CE1 4.13Å; L402-F404 HydrophobicContact CD1-CZ 4.45Å; L402-F404 PolarHBondContact O-N 2.93Å; L402-F424 HydrophobicContact CD1-CE2 3.63Å; L402-F424 HydrophobicContact CD1-CZ 3.8Å; L402-I454 HydrophobicContact CD1-CG2 3.57Å; L402-I454 HydrophobicContact CD2-CG2 4.32Å; L402-I454 HydrophobicContact CG-CG2 3.64Å; L402-L455 PolarHBondContact N-O 3.47Å; L402-K457 PolarHBondContact O-N 2.99Å
403S97.9Very high94.8Very high0 Ų025.2 Ų25.20%013%0.13CC..EExtended strand (participates in β ladder)trans-84.199.9175.1-1790000109.9I351 E352 L353 K457I351-S403 PolarHBondContact O-N 3.17Å; E352-S403 WeakPolarHBondContact CA-O 3.41Å; L353-S403 PolarHBondContact N-O 3.12Å; S403-K457 PolarHBondContact OG-NZ 2.92Å
404F96.1Very high94.7Very high9 Ų926 Ų264%0.03914%0.135CC..EExtended strand (participates in β ladder)trans-85.8119.6176.5-72.96.8000110.4L353 F381 L402 M416 I456 K457 L563L353-F404 HydrophobicContact CB-CD1 3.93Å; L353-F404 HydrophobicContact CB-CE1 4.2Å; L353-F404 HydrophobicContact CD1-CD1 3.99Å; L353-F404 HydrophobicContact CD1-CE1 3.88Å; L353-F404 HydrophobicContact CD2-CD1 4.37Å; L353-F404 HydrophobicContact CD2-CE1 3.79Å; L353-F404 HydrophobicContact CG-CD1 4.32Å; L353-F404 HydrophobicContact CG-CE1 4.18Å; L353-F404 WeakPolarHBondContact O-CA 3.5Å; F381-F404 HydrophobicContact CE2-CE1 4.21Å; F381-F404 HydrophobicContact CE2-CE2 4.15Å; F381-F404 AromaticContact CE2-CZ 3.81Å; F381-F404 HydrophobicContact CE2-CZ 3.81Å; F381-F404 HydrophobicContact CZ-CE1 4.43Å; F381-F404 AromaticContact CZ-CE2 3.94Å; F381-F404 HydrophobicContact CZ-CE2 3.94Å; F381-F404 AromaticContact CZ-CZ 3.63Å; F381-F404 HydrophobicContact CZ-CZ 3.63Å; L402-F404 HydrophobicContact CB-CD1 4.12Å; L402-F404 HydrophobicContact CB-CE1 3.71Å; L402-F404 HydrophobicContact CD1-CE1 4.13Å; L402-F404 HydrophobicContact CD1-CZ 4.45Å; L402-F404 PolarHBondContact O-N 2.93Å; F404-M416 HydrophobicContact CD2-CE 3.82Å; F404-M416 HydrophobicContact CE2-CE 3.97Å; F404-I456 HydrophobicContact CD2-CG2 4.08Å; F404-I456 HydrophobicContact CE2-CD1 4.38Å; F404-I456 HydrophobicContact CE2-CG2 4.16Å; F404-I456 HydrophobicContact CG-CG2 4.45Å; F404-I456 HydrophobicContact CZ-CD1 4.45Å; F404-K457 PolarHBondContact N-O 3.42Å; F404-L563 HydrophobicContact CD2-CD1 4.4Å; F404-L563 HydrophobicContact CE2-CD1 4.26Å
405E93.3Very high94.9Very high36 Ų3625.1 Ų25.117%0.16813%0.126CC..EExtended strand (participates in β ladder)trans-94.895.9161.3-160.9178.5134.200108.5L353 C355 H407 Y552 A555L353-E405 PolarHBondContact O-N 3.44Å; C355-E405 PolarHBondContact N-O 2.92Å; E405-H407 WeakPolarHBondContact CG-NE2 3.41Å; E405-H407 PolarHBondContact O-CD2 3.46Å; E405-H407 IonicContact OE1-CE1 2.75Å; E405-H407 PolarHBondContact OE1-CE1 3.21Å; E405-H407 IonicContact OE1-NE2 2.77Å; E405-H407 PolarHBondContact OE1-NE2 3.25Å; E405-Y552 VanDerWaalsContact OE1-CE2 3.32Å; E405-Y552 WeakPolarHBondContact OE1-CE2 3.45Å; E405-Y552 PolarHBondContact OE1-OH 2.96Å; E405-A555 HydrophobicContact CG-CB 4.22Å
406N93Very high95.3Very high2 Ų223.6 Ų23.61%0.01112%0.116CC..EExtended strand (participates in β ladder)trans-93.3118.1-165.7-176.39.6000112.5C408 A555 T556 L563N406-C408 WeakPolarHBondContact OD1-CB 3.49Å; N406-C408 PolarHBondContact OD1-N 3.29Å; N406-A555 CarbonylContact O-C 3.56Å; N406-A555 VanDerWaalsContact O-CA 3.28Å; N406-A555 WeakPolarHBondContact O-CA 3.38Å; N406-A555 WeakPolarHBondContact O-CB 3.24Å; N406-T556 WeakPolarHBondContact O-CG2 3.44Å; N406-T556 PolarHBondContact O-N 3.2Å; N406-L563 WeakPolarHBondContact ND2-CD2 3.42Å
407H93.1Very high95.3Very high27 Ų2723.2 Ų23.213%0.12511%0.114CC..  trans-121.613.8174.9-54.7-77.4000112.6C355 W356 E405 T553 A555C355-H407 WeakPolarHBondContact O-CA 3.3Å; C355-H407 VanDerWaalsContact O-CB 3.31Å; C355-H407 WeakPolarHBondContact O-CB 3.45Å; C355-H407 PolarHBondContact O-N 3.3Å; W356-H407 HydrophobicContact CD2-CB 3.64Å; W356-H407 AromaticContact CE2-CD2 3.31Å; W356-H407 AromaticContact CE2-CG 3.61Å; W356-H407 HydrophobicContact CE3-CB 3.63Å; W356-H407 HydrophobicContact CG-CB 4.27Å; W356-H407 HydrophobicContact CH2-CB 4.07Å; W356-H407 AromaticContact CH2-CG 3.87Å; W356-H407 HydrophobicContact CZ2-CB 4.01Å; W356-H407 AromaticContact CZ2-CD2 3.41Å; W356-H407 VanDerWaalsContact CZ2-CD2 3.41Å; W356-H407 WeakPolarHBondContact CZ2-CD2 3.31Å; W356-H407 AromaticContact CZ2-CG 3.52Å; W356-H407 AromaticContact CZ2-ND1 3.97Å; W356-H407 AromaticContact CZ2-NE2 3.75Å; W356-H407 HydrophobicContact CZ3-CB 3.86Å; W356-H407 AromaticContact NE1-CD2 3.44Å; W356-H407 PolarHBondContact NE1-CD2 2.96Å; E405-H407 WeakPolarHBondContact CG-NE2 3.41Å; E405-H407 PolarHBondContact O-CD2 3.46Å; E405-H407 IonicContact OE1-CE1 2.75Å; E405-H407 PolarHBondContact OE1-CE1 3.21Å; E405-H407 IonicContact OE1-NE2 2.77Å; E405-H407 PolarHBondContact OE1-NE2 3.25Å; H407-T553 PolarHBondContact CE1-O 3.27Å; H407-A555 PolarHBondContact CE1-N 2.94Å
408C93.6Very high95.3Very high4 Ų424 Ų243%0.02711%0.113CC..  trans-83153.2-177.3-740000113.5W356 D357 N406 N412 Q413 M416W356-C408 PolarHBondContact O-SG 2.93Å; W356-C408 VanDerWaalsContact O-SG 3.39Å; D357-C408 VanDerWaalsContact OD1-CA 3.25Å; D357-C408 WeakPolarHBondContact OD1-CA 3.34Å; D357-C408 VanDerWaalsContact OD1-CB 3.32Å; D357-C408 WeakPolarHBondContact OD1-CB 3.42Å; D357-C408 PolarHBondContact OD1-SG 2.79Å; N406-C408 WeakPolarHBondContact OD1-CB 3.49Å; N406-C408 PolarHBondContact OD1-N 3.29Å; C408-N412 HydrophobicContact CB-CB 3.96Å; C408-Q413 HydrophobicContact CB-CG 3.9Å; C408-Q413 PolarHBondContact O-NE2 2.93Å; C408-M416 HydrophobicContact CB-SD 3.96Å; C408-M416 VanDerWaalsContact SG-SD 3.68Å
409S92.7Very high95.3Very high49 Ų4924.9 Ų24.934%0.34312%0.117SC..  trans-65.5158.916656.60000112.4D357 K411 N412 Q413D357-S409 PolarHBondContact OD1-N 3.22Å; D357-S409 VanDerWaalsContact OD1-N 3.13Å; D357-S409 PolarHBondContact OD1-OG 2.88Å; D357-S409 WeakPolarHBondContact OD2-CB 3.28Å; D357-S409 PolarHBondContact OD2-N 3.18Å; D357-S409 PolarHBondContact OD2-OG 3.23Å; S409-K411 PolarHBondContact O-N 3.26Å; S409-K411 VanDerWaalsContact O-N 3.12Å; S409-N412 PolarHBondContact O-N 3.29Å; S409-Q413 WeakPolarHBondContact O-CG 3.48Å; S409-Q413 PolarHBondContact O-N 2.93Å
410K90.3Very high95.2Very high54 Ų5424.9 Ų24.924%0.23512%0.117CC..Hα-helixtrans-52-37.8178.1-80.5-166.3-177.41780113.1Q413 L414 N558K410-Q413 PolarHBondContact O-N 3.07Å; K410-L414 PolarHBondContact O-N 2.88Å; K410-N558 WeakPolarHBondContact CE-OD1 3.32Å
411K92Very high95.1Very high128 Ų12828.9 Ų28.956%0.55714%0.137SC*.Hα-helixtrans-61-46.2177.4-177.7-177.3175.5-171.80111.9S409 L414 K415S409-K411 PolarHBondContact O-N 3.26Å; S409-K411 VanDerWaalsContact O-N 3.12Å; K411-L414 WeakPolarHBondContact O-CB 3.33Å; K411-K415 PolarHBondContact O-N 3.07Å
412N93.6Very high95Very high6 Ų635.6 Ų35.63%0.03217%0.168CC..Hα-helixtrans-78-31.8178.3-84-12.8000112.7D357 D365 P367 C408 S409 L414 K415 M416D357-N412 WeakPolarHBondContact OD1-CB 3.43Å; D357-N412 PolarHBondContact OD1-ND2 3.39Å; D365-N412 PolarHBondContact O-OD1 3.04Å; P367-N412 HydrophobicContact CB-CB 4.4Å; C408-N412 HydrophobicContact CB-CB 3.96Å; S409-N412 PolarHBondContact O-N 3.29Å; N412-L414 VanDerWaalsContact C-N 3.28Å; N412-L414 PolarHBondContact O-N 2.84Å; N412-K415 CarbonylContact O-C 3.52Å; N412-K415 WeakPolarHBondContact O-CA 3.21Å; N412-K415 WeakPolarHBondContact O-CB 3.37Å; N412-K415 PolarHBondContact O-N 2.75Å; N412-K415 VanDerWaalsContact O-N 3.09Å; N412-M416 VanDerWaalsContact O-CG 3.31Å; N412-M416 WeakPolarHBondContact O-CG 3.34Å; N412-M416 PolarHBondContact O-N 3.02Å
413Q95.3Very high95Very high1 Ų136.6 Ų36.61%0.00517%0.173CC..Hα-helixtrans-60.3-38.3169.8-68.2-178.139.500111.9C408 S409 K410 M416 A417 N558 H560 L563C408-Q413 HydrophobicContact CB-CG 3.9Å; C408-Q413 PolarHBondContact O-NE2 2.93Å; S409-Q413 WeakPolarHBondContact O-CG 3.48Å; S409-Q413 PolarHBondContact O-N 2.93Å; K410-Q413 PolarHBondContact O-N 3.07Å; Q413-M416 PolarHBondContact O-N 2.66Å; Q413-A417 PolarHBondContact O-N 3.09Å; Q413-N558 PolarHBondContact NE2-O 2.94Å; Q413-H560 HydrophobicContact CB-CB 3.82Å; Q413-L563 HydrophobicContact CB-CD2 4.11Å; Q413-L563 HydrophobicContact CG-CD2 4.22Å
414L93.9Very high95Very high33 Ų3336.8 Ų36.817%0.17317%0.174CC..Hα-helixtrans-61.9-43.4171.9175.660.3000111.4K410 K411 N412 A417 K418 F473 L562K410-L414 PolarHBondContact O-N 2.88Å; K411-L414 WeakPolarHBondContact O-CB 3.33Å; N412-L414 VanDerWaalsContact C-N 3.28Å; N412-L414 PolarHBondContact O-N 2.84Å; L414-A417 PolarHBondContact O-N 3.44Å; L414-K418 HydrophobicContact CD1-CD 4.43Å; L414-K418 HydrophobicContact CD1-CG 4.34Å; L414-K418 HydrophobicContact CG-CD 4.42Å; L414-K418 WeakPolarHBondContact O-CG 3.26Å; L414-K418 PolarHBondContact O-N 2.95Å; L414-F473 HydrophobicContact CD1-CE1 4.26Å; L414-F473 HydrophobicContact CD1-CE2 4.36Å; L414-F473 HydrophobicContact CD1-CZ 3.63Å; L414-F473 HydrophobicContact CD2-CE2 4.18Å; L414-F473 HydrophobicContact CD2-CZ 4.12Å; L414-L562 HydrophobicContact CD1-CD2 3.76Å
415K95.4Very high95Very high50 Ų5038.1 Ų38.122%0.21719%0.19CC..Hα-helixtrans-61.6-44.8174.4-70.4-174.5175.5-172.60111.8D365 E366 P367 K411 N412 A417 K418 Y419D365-K415 PolarHBondContact O-NZ 3.09Å; E366-K415 IonicContact OE1-NZ 2.65Å; E366-K415 PolarHBondContact OE1-NZ 3.34Å; P367-K415 HydrophobicContact CG-CB 4.31Å; K411-K415 PolarHBondContact O-N 3.07Å; N412-K415 CarbonylContact O-C 3.52Å; N412-K415 WeakPolarHBondContact O-CA 3.21Å; N412-K415 WeakPolarHBondContact O-CB 3.37Å; N412-K415 PolarHBondContact O-N 2.75Å; N412-K415 VanDerWaalsContact O-N 3.09Å; K415-A417 PolarHBondContact O-N 3.46Å; K415-K418 PolarHBondContact O-N 3.22Å; K415-Y419 HydrophobicContact CB-CE2 4.18Å; K415-Y419 WeakPolarHBondContact O-CB 3.47Å; K415-Y419 WeakPolarHBondContact O-CD2 3.02Å; K415-Y419 VanDerWaalsContact O-CG 3.24Å; K415-Y419 PolarHBondContact O-N 3.5Å
416M96.9Very high95.1Very high0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-56.7-49.2176.3-68.6165.461.100111.2C355 P367 F381 F404 C408 N412 Q413 K418 Y419 C420C355-M416 HydrophobicContact CB-CE 3.58Å; C355-M416 HydrophobicContact CB-SD 4.02Å; C355-M416 WeakPolarHBondContact SG-CE 3.34Å; P367-M416 HydrophobicContact CB-CG 3.66Å; P367-M416 HydrophobicContact CB-SD 4.25Å; P367-M416 HydrophobicContact CG-CG 3.89Å; F381-M416 HydrophobicContact CD1-CB 4.47Å; F381-M416 HydrophobicContact CD1-CG 4.09Å; F381-M416 HydrophobicContact CD2-CE 4.47Å; F381-M416 HydrophobicContact CD2-CG 4.35Å; F381-M416 HydrophobicContact CE1-CB 3.85Å; F381-M416 HydrophobicContact CE1-CG 3.92Å; F381-M416 HydrophobicContact CE2-CE 3.89Å; F381-M416 HydrophobicContact CE2-CG 4.21Å; F381-M416 HydrophobicContact CG-CG 4.29Å; F381-M416 HydrophobicContact CZ-CB 3.91Å; F381-M416 HydrophobicContact CZ-CE 4.17Å; F381-M416 HydrophobicContact CZ-CG 3.98Å; F404-M416 HydrophobicContact CD2-CE 3.82Å; F404-M416 HydrophobicContact CE2-CE 3.97Å; C408-M416 HydrophobicContact CB-SD 3.96Å; C408-M416 VanDerWaalsContact SG-SD 3.68Å; N412-M416 VanDerWaalsContact O-CG 3.31Å; N412-M416 WeakPolarHBondContact O-CG 3.34Å; N412-M416 PolarHBondContact O-N 3.02Å; Q413-M416 PolarHBondContact O-N 2.66Å; M416-K418 PolarHBondContact O-N 3.27Å; M416-Y419 PolarHBondContact O-N 3.11Å; M416-C420 PolarHBondContact O-N 2.79Å; M416-C420 PolarHBondContact O-SG 2.98Å; M416-C420 VanDerWaalsContact O-SG 3.39Å
417A95.5Very high95.4Very high0 Ų044.8 Ų44.80%023%0.227CC..Hα-helixtrans-60.8-44.8178.100000111.9Q413 L414 K415 C420 M421 L562 L563 L566Q413-A417 PolarHBondContact O-N 3.09Å; L414-A417 PolarHBondContact O-N 3.44Å; K415-A417 PolarHBondContact O-N 3.46Å; A417-C420 PolarHBondContact O-N 2.76Å; A417-M421 VanDerWaalsContact O-CG 3.29Å; A417-M421 WeakPolarHBondContact O-CG 3.16Å; A417-M421 PolarHBondContact O-N 3.38Å; A417-L562 HydrophobicContact CB-CB 4.34Å; A417-L562 HydrophobicContact CB-CD2 3.9Å; A417-L562 HydrophobicContact CB-CG 3.92Å; A417-L563 HydrophobicContact CB-CB 4.19Å; A417-L563 HydrophobicContact CB-CD1 4.34Å; A417-L566 HydrophobicContact CB-CD1 4.17Å
418K95.9Very high95.6Very high93 Ų9343.9 Ų43.940%0.40422%0.223SC..Hα-helixtrans-60.3-47175.2-74.4-178.1178.5-174.60112.1L414 K415 M416 C420 M421 E422L414-K418 HydrophobicContact CD1-CD 4.43Å; L414-K418 HydrophobicContact CD1-CG 4.34Å; L414-K418 HydrophobicContact CG-CD 4.42Å; L414-K418 WeakPolarHBondContact O-CG 3.26Å; L414-K418 PolarHBondContact O-N 2.95Å; K415-K418 PolarHBondContact O-N 3.22Å; M416-K418 PolarHBondContact O-N 3.27Å; K418-C420 PolarHBondContact O-N 2.9Å; K418-M421 PolarHBondContact O-N 3.39Å; K418-E422 WeakPolarHBondContact O-CB 3.4Å; K418-E422 WeakPolarHBondContact O-CG 3.38Å; K418-E422 PolarHBondContact O-N 3.37Å
419Y97.7Very high95.8Very high30 Ų3044.2 Ų44.212%0.11822%0.224CC..Hα-helixtrans-59.6-45.1177.2-68.2-26.4000111.9E366 P367 F381 K382 K415 M416 M421 I423E366-Y419 WeakPolarHBondContact OE2-CE2 3.24Å; E366-Y419 PolarHBondContact OE2-OH 2.98Å; P367-Y419 HydrophobicContact CG-CD2 4.3Å; P367-Y419 HydrophobicContact CG-CE2 4.02Å; F381-Y419 HydrophobicContact CD1-CD2 4.02Å; F381-Y419 HydrophobicContact CE1-CD2 4.45Å; K382-Y419 HydrophobicContact CB-CD2 4.05Å; K382-Y419 HydrophobicContact CB-CE2 3.91Å; K382-Y419 HydrophobicContact CD-CD1 4.37Å; K382-Y419 HydrophobicContact CD-CE1 3.91Å; K382-Y419 HydrophobicContact CD-CE2 4.38Å; K382-Y419 HydrophobicContact CG-CD1 4.26Å; K382-Y419 HydrophobicContact CG-CD2 4.29Å; K382-Y419 HydrophobicContact CG-CE1 4.25Å; K382-Y419 HydrophobicContact CG-CE2 4.25Å; K382-Y419 HydrophobicContact CG-CG 4.29Å; K415-Y419 HydrophobicContact CB-CE2 4.18Å; K415-Y419 WeakPolarHBondContact O-CB 3.47Å; K415-Y419 WeakPolarHBondContact O-CD2 3.02Å; K415-Y419 VanDerWaalsContact O-CG 3.24Å; K415-Y419 PolarHBondContact O-N 3.5Å; M416-Y419 PolarHBondContact O-N 3.11Å; Y419-M421 PolarHBondContact O-N 3.49Å; Y419-I423 WeakPolarHBondContact O-CB 2.96Å; Y419-I423 VanDerWaalsContact O-CG1 3.25Å; Y419-I423 WeakPolarHBondContact O-CG1 3.24Å; Y419-I423 PolarHBondContact O-N 3.05Å
420C97.7Very high95.8Very high0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-60.4-46.7175.1-68.90000111.9M416 A417 K418 F424 L428 I456 L566M416-C420 PolarHBondContact O-N 2.79Å; M416-C420 PolarHBondContact O-SG 2.98Å; M416-C420 VanDerWaalsContact O-SG 3.39Å; A417-C420 PolarHBondContact O-N 2.76Å; K418-C420 PolarHBondContact O-N 2.9Å; C420-F424 HydrophobicContact CB-CD2 4.12Å; C420-F424 HydrophobicContact CB-CE2 4.36Å; C420-F424 VanDerWaalsContact O-CB 3.23Å; C420-F424 WeakPolarHBondContact O-CB 3.45Å; C420-F424 WeakPolarHBondContact O-CD2 3.3Å; C420-F424 PolarHBondContact O-N 2.8Å; C420-F424 VanDerWaalsContact O-N 3.09Å; C420-L428 HydrophobicContact CB-CD2 4.2Å; C420-I456 HydrophobicContact CB-CD1 4.19Å; C420-L566 HydrophobicContact CB-CD1 4.47Å
421M96.4Very high96Very high84 Ų8449.5 Ų49.541%0.41425%0.248SC..Hα-helixtrans-65.9-46.6-178.9-69.6174.869.300112.7A417 K418 Y419 G425 L428 L562 L566A417-M421 VanDerWaalsContact O-CG 3.29Å; A417-M421 WeakPolarHBondContact O-CG 3.16Å; A417-M421 PolarHBondContact O-N 3.38Å; K418-M421 PolarHBondContact O-N 3.39Å; Y419-M421 PolarHBondContact O-N 3.49Å; M421-G425 WeakPolarHBondContact O-CA 3.46Å; M421-G425 PolarHBondContact O-N 3.3Å; M421-G425 VanDerWaalsContact O-N 3.1Å; M421-L428 HydrophobicContact CG-CD2 3.96Å; M421-L562 HydrophobicContact SD-CD1 3.98Å; M421-L562 HydrophobicContact SD-CD2 4.15Å; M421-L562 HydrophobicContact SD-CG 4.2Å; M421-L566 HydrophobicContact CG-CD1 4.34Å; M421-L566 HydrophobicContact CG-CD2 4.11Å; M421-L566 HydrophobicContact SD-CD2 4.29Å
422E96.7Very high96.1Very high141 Ų14146 Ų4666%0.65924%0.239SC*.Hα-helixtrans-71.7-44.3-177.1-70.5172-169.800112K418K418-E422 WeakPolarHBondContact O-CB 3.4Å; K418-E422 WeakPolarHBondContact O-CG 3.38Å; K418-E422 PolarHBondContact O-N 3.37Å
423I97.6Very high96.2Very high21 Ų2147.6 Ų47.611%0.10825%0.247CC..Hα-helixtrans-78.5-50.3-173.5-61.9167.7000110.2K382 I385 M386 K389 Y419K382-I423 HydrophobicContact CG-CD1 4.04Å; I385-I423 HydrophobicContact CB-CD1 4.24Å; I385-I423 HydrophobicContact CG2-CB 3.83Å; I385-I423 HydrophobicContact CG2-CD1 3.81Å; I385-I423 HydrophobicContact CG2-CG1 4.42Å; I385-I423 HydrophobicContact CG2-CG2 3.87Å; M386-I423 HydrophobicContact CG-CD1 3.9Å; M386-I423 HydrophobicContact CG-CG2 4.12Å; K389-I423 HydrophobicContact CB-CG2 4.15Å; K389-I423 HydrophobicContact CD-CG2 3.79Å; K389-I423 WeakPolarHBondContact CD-O 3.36Å; K389-I423 WeakPolarHBondContact CE-O 3.28Å; K389-I423 PolarHBondContact NZ-O 3.16Å; Y419-I423 WeakPolarHBondContact O-CB 2.96Å; Y419-I423 VanDerWaalsContact O-CG1 3.25Å; Y419-I423 WeakPolarHBondContact O-CG1 3.24Å; Y419-I423 PolarHBondContact O-N 3.05Å
424F98Very high96.2Very high5 Ų553.8 Ų53.82%0.02229%0.287CS..Hα-helixtrans-74.9-30-179-62.6-41.9000112.9I385 I388 K389 L402 C420 D426 L427 L428 I454I385-F424 HydrophobicContact CB-CZ 4.35Å; I385-F424 HydrophobicContact CD1-CE2 4.1Å; I385-F424 HydrophobicContact CD1-CZ 3.89Å; I385-F424 HydrophobicContact CG2-CD1 4.28Å; I385-F424 HydrophobicContact CG2-CD2 4.33Å; I385-F424 HydrophobicContact CG2-CE1 3.79Å; I385-F424 HydrophobicContact CG2-CE2 3.86Å; I385-F424 HydrophobicContact CG2-CZ 3.58Å; I385-F424 WeakPolarHBondContact O-CE1 3.47Å; I388-F424 HydrophobicContact CB-CE1 4.08Å; I388-F424 HydrophobicContact CB-CZ 4.15Å; I388-F424 HydrophobicContact CG2-CE1 3.78Å; I388-F424 HydrophobicContact CG2-CZ 3.77Å; K389-F424 HydrophobicContact CB-CD1 3.96Å; K389-F424 HydrophobicContact CB-CE1 4.08Å; K389-F424 HydrophobicContact CG-CD1 4.46Å; L402-F424 HydrophobicContact CD1-CE2 3.63Å; L402-F424 HydrophobicContact CD1-CZ 3.8Å; C420-F424 HydrophobicContact CB-CD2 4.12Å; C420-F424 HydrophobicContact CB-CE2 4.36Å; C420-F424 VanDerWaalsContact O-CB 3.23Å; C420-F424 WeakPolarHBondContact O-CB 3.45Å; C420-F424 WeakPolarHBondContact O-CD2 3.3Å; C420-F424 PolarHBondContact O-N 2.8Å; C420-F424 VanDerWaalsContact O-N 3.09Å; F424-D426 PolarHBondContact O-N 3.09Å; F424-L427 HydrophobicContact CB-CB 4.3Å; F424-L427 WeakPolarHBondContact O-CB 3.32Å; F424-L427 PolarHBondContact O-N 2.8Å; F424-L428 HydrophobicContact CB-CB 3.89Å; F424-L428 HydrophobicContact CD2-CD1 4.42Å; F424-I454 HydrophobicContact CB-CD1 4.46Å; F424-I454 HydrophobicContact CD1-CD1 3.49Å; F424-I454 VanDerWaalsContact CD1-CD1 3.49Å; F424-I454 HydrophobicContact CD2-CD1 4.18Å; F424-I454 HydrophobicContact CD2-CG2 4.38Å; F424-I454 HydrophobicContact CE1-CD1 3.57Å; F424-I454 HydrophobicContact CE2-CD1 4.24Å; F424-I454 HydrophobicContact CE2-CG2 4.09Å; F424-I454 HydrophobicContact CG-CD1 3.82Å; F424-I454 HydrophobicContact CZ-CD1 3.94Å; F424-I454 HydrophobicContact CZ-CG2 4.44Å
425G96.7Very high96.2Very high37 Ų3755.7 Ų55.738%0.38130%0.304SS..G310 helixtrans53-125.2-177.700000111.5M421 L427 L428M421-G425 WeakPolarHBondContact O-CA 3.46Å; M421-G425 PolarHBondContact O-N 3.3Å; M421-G425 VanDerWaalsContact O-N 3.1Å; G425-L427 PolarHBondContact O-N 2.83Å; G425-L428 PolarHBondContact O-N 3.34Å; G425-L428 VanDerWaalsContact O-N 3.09Å
426D96Very high96.2Very high147 Ų14754 Ų5479%0.78630%0.297SS*.G310 helixtrans-65.6-16.7-178.9-64.2-31.3000114.6F424 L428 K453F424-D426 PolarHBondContact O-N 3.09Å; D426-L428 VanDerWaalsContact C-N 3.27Å; D426-K453 PolarHBondContact O-NZ 3.27Å
427L97.9Very high96.1Very high31 Ų3156.4 Ų56.416%0.16231%0.313CS..G310 helixtrans-70-28.1174.6-58.3174.6000110.9K389 F393 F424 G425 L429 R452 K453 I454K389-L427 HydrophobicContact CG-CD1 4.27Å; F393-L427 HydrophobicContact CD2-CD1 4.32Å; F393-L427 HydrophobicContact CD2-CD2 4.13Å; F393-L427 HydrophobicContact CE2-CB 4.29Å; F393-L427 HydrophobicContact CE2-CD1 4.1Å; F393-L427 HydrophobicContact CE2-CD2 3.88Å; F393-L427 HydrophobicContact CE2-CG 4.31Å; F424-L427 HydrophobicContact CB-CB 4.3Å; F424-L427 WeakPolarHBondContact O-CB 3.32Å; F424-L427 PolarHBondContact O-N 2.8Å; G425-L427 PolarHBondContact O-N 2.83Å; L427-L429 PolarHBondContact O-N 2.81Å; L427-R452 HydrophobicContact CD2-CB 4.24Å; L427-R452 WeakPolarHBondContact CD2-O 3.33Å; L427-K453 CarbonylContact O-C 3.44Å; L427-K453 VanDerWaalsContact O-CA 3.26Å; L427-K453 WeakPolarHBondContact O-CA 3.35Å; L427-I454 HydrophobicContact CB-CD1 4.18Å; L427-I454 HydrophobicContact CB-CG1 4.38Å; L427-I454 PolarHBondContact O-N 2.87Å
428L98.3Very high96.1Very high8 Ų858.5 Ų58.54%0.04232%0.323CS..BIsolated β-bridgetrans-74.2125.5177.9-179.663.8000110.6C420 M421 F424 G425 D426 S430 I456 L566C420-L428 HydrophobicContact CB-CD2 4.2Å; M421-L428 HydrophobicContact CG-CD2 3.96Å; F424-L428 HydrophobicContact CB-CB 3.89Å; F424-L428 HydrophobicContact CD2-CD1 4.42Å; G425-L428 PolarHBondContact O-N 3.34Å; G425-L428 VanDerWaalsContact O-N 3.09Å; D426-L428 VanDerWaalsContact C-N 3.27Å; L428-S430 VanDerWaalsContact C-N 3.32Å; L428-S430 PolarHBondContact O-N 2.92Å; L428-I456 HydrophobicContact CD1-CD1 3.77Å; L428-I456 HydrophobicContact CD1-CG1 3.96Å; L428-L566 HydrophobicContact CD2-CD1 4.22Å; L428-L566 HydrophobicContact CD2-CD2 4.01Å
429L97.5Very high96Very high10 Ų1060.4 Ų60.45%0.05233%0.332CS..  trans-79.983.8170.4-170.570.2000109.7L427 K431 L433 L450 K453 I454 L455 N568 Y569L427-L429 PolarHBondContact O-N 2.81Å; L429-K431 WeakPolarHBondContact CD1-O 3.44Å; L429-L433 HydrophobicContact CD1-CD2 4.2Å; L429-L450 HydrophobicContact CD1-CD2 4.32Å; L429-L450 HydrophobicContact CD2-CD2 3.61Å; L429-K453 HydrophobicContact CB-CB 4.32Å; L429-K453 HydrophobicContact CD1-CD 4.39Å; L429-K453 HydrophobicContact CD1-CG 4.42Å; L429-I454 PolarHBondContact N-O 2.79Å; L429-L455 HydrophobicContact CD2-CD1 4.45Å; L429-L455 HydrophobicContact CD2-CD2 4.13Å; L429-L455 HydrophobicContact CD2-CG 3.93Å; L429-N568 PolarHBondContact O-ND2 3.41Å; L429-Y569 HydrophobicContact CD2-CD2 3.69Å; L429-Y569 HydrophobicContact CD2-CE2 3.8Å
430S93Very high95.8Very high57 Ų5762.6 Ų62.640%0.39935%0.35SS..  trans-80.9-17.6-177.357.30000114.3L428L428-S430 VanDerWaalsContact C-N 3.32Å; L428-S430 PolarHBondContact O-N 2.92Å
431K93.1Very high95.5Very high157 Ų15766.4 Ų66.468%0.68338%0.376SS*.SBendtrans-137.5149.8179.7-66-176.8-178.3178.80111L429L429-K431 WeakPolarHBondContact CD1-O 3.44Å
432P95Very high95.5Very high56 Ų5664 Ų6436%0.36437%0.367SS..  trans-59152.3171.8-21.733.7000111.9L438 N568P432-L438 HydrophobicContact CB-CD1 4.47Å; P432-L438 HydrophobicContact CB-CD2 4.45Å; P432-L438 HydrophobicContact CB-CG 4.01Å; P432-L438 HydrophobicContact CG-CD1 3.55Å; P432-L438 HydrophobicContact CG-CD2 4.33Å; P432-L438 HydrophobicContact CG-CG 3.61Å; P432-N568 HydrophobicContact CG-CB 4.27Å
433L96.1Very high95.5Very high38 Ų3860.1 Ų60.120%0.19936%0.355CS..  trans-74.8141.1174.9-59.9178000109.3L429 S435 N436 P445 Q449 L450 Y569L429-L433 HydrophobicContact CD1-CD2 4.2Å; L433-S435 PolarHBondContact O-N 3.36Å; L433-S435 VanDerWaalsContact O-N 3.16Å; L433-N436 CarbonylContact O-C 3.48Å; L433-N436 PolarHBondContact O-N 2.78Å; L433-P445 HydrophobicContact CD1-CB 4.02Å; L433-Q449 HydrophobicContact CD1-CB 4.12Å; L433-L450 HydrophobicContact CD1-CD2 4Å; L433-Y569 WeakPolarHBondContact CB-OH 3.45Å; L433-Y569 HydrophobicContact CG-CE2 4.4Å; L433-Y569 PolarHBondContact N-OH 2.83Å
434P94Very high95.5Very high131 Ų13159.3 Ų59.385%0.85135%0.35SS*.THydrogen-bonded Turntrans-57.2-30.7175.3-25.634.4000113.5N436P434-N436 VanDerWaalsContact C-N 3.33Å
435S94Very high95.5Very high74 Ų7459.1 Ų59.152%0.51735%0.349SS..THydrogen-bonded Turntrans-72-23.4178.856.30000114.1L433 Q449L433-S435 PolarHBondContact O-N 3.36Å; L433-S435 VanDerWaalsContact O-N 3.16Å; S435-Q449 PolarHBondContact OG-NE2 2.92Å
436N96.3Very high95.6Very high14 Ų1457.4 Ų57.48%0.07533%0.332CS..SBendtrans-134.868.4-173.3-63.179.4000109.1L433 P434 P443 P445 Q449 Y569L433-N436 CarbonylContact O-C 3.48Å; L433-N436 PolarHBondContact O-N 2.78Å; P434-N436 VanDerWaalsContact C-N 3.33Å; N436-P443 PolarHBondContact ND2-O 3.38Å; N436-P445 HydrophobicContact CB-CB 4.38Å; N436-Q449 PolarHBondContact OD1-NE2 2.86Å; N436-Y569 HydrophobicContact CB-CE1 4.03Å; N436-Y569 WeakPolarHBondContact CB-OH 3.28Å; N436-Y569 VanDerWaalsContact O-CE1 3.23Å; N436-Y569 WeakPolarHBondContact O-CE1 3.33Å; N436-Y569 PolarHBondContact O-OH 3.42Å
437P95.6Very high95.7Very high51 Ų5150.4 Ų50.433%0.33129%0.294SS..  trans-65.2150.8-178.928.8-34.5000111.2K439 C442P437-K439 HydrophobicContact CB-CG 4.43Å; P437-K439 PolarHBondContact O-N 3.44Å; P437-C442 WeakPolarHBondContact O-CB 3.44Å
438L93.9Very high95.7Very high43 Ų4351 Ų5123%0.22530%0.297CS..SBendtrans-73.772.1177.5-56.8-179.5000111.1P432 N568 Y569 F588P432-L438 HydrophobicContact CB-CD1 4.47Å; P432-L438 HydrophobicContact CB-CD2 4.45Å; P432-L438 HydrophobicContact CB-CG 4.01Å; P432-L438 HydrophobicContact CG-CD1 3.55Å; P432-L438 HydrophobicContact CG-CD2 4.33Å; P432-L438 HydrophobicContact CG-CG 3.61Å; L438-N568 HydrophobicContact CD1-CB 4.25Å; L438-N568 HydrophobicContact CD2-CB 4.37Å; L438-Y569 HydrophobicContact CD2-CD1 3.81Å; L438-Y569 HydrophobicContact CD2-CE1 3.83Å; L438-F588 HydrophobicContact CB-CD1 4.22Å; L438-F588 HydrophobicContact CB-CE1 4.16Å; L438-F588 HydrophobicContact CB-CE2 4.42Å; L438-F588 HydrophobicContact CB-CG 4.41Å; L438-F588 HydrophobicContact CB-CZ 4.26Å; L438-F588 HydrophobicContact CD2-CB 3.79Å; L438-F588 HydrophobicContact CD2-CD1 4.2Å; L438-F588 HydrophobicContact CD2-CD2 4.17Å; L438-F588 HydrophobicContact CD2-CG 3.8Å
439K93.5Very high95.7Very high133 Ų13354.8 Ų54.858%0.57832%0.315SS*.SBendtrans-129.5156.3178.4-66.7-176.3179.8-177.60110.2P437 C442P437-K439 HydrophobicContact CB-CG 4.43Å; P437-K439 PolarHBondContact O-N 3.44Å; K439-C442 WeakPolarHBondContact O-CB 3.43Å; K439-C442 PolarHBondContact O-N 2.76Å
440P93.5Very high95.7Very high77 Ų7754.3 Ų54.350%0.531%0.313SS..THydrogen-bonded Turntrans-53.3147.9170.5-24.633.9000111.8C442 D585P440-C442 PolarHBondContact O-N 2.74Å; P440-D585 CarbonylContact C-O 3.55Å; P440-D585 WeakPolarHBondContact CA-O 3.2Å
441S93.4Very high96Very high79 Ų7956 Ų5655%0.55231%0.313SS*.THydrogen-bonded Turntrans64-0.4-178.9-44.50000116.4D585S441-D585 WeakPolarHBondContact CA-OD2 3.32Å; S441-D585 WeakPolarHBondContact CB-OD2 3.36Å; S441-D585 PolarHBondContact N-O 3.27Å; S441-D585 PolarHBondContact N-OD2 3.42Å; S441-D585 PolarHBondContact OG-OD2 2.94Å
442C95.9Very high96.2Very high33 Ų3354.4 Ų54.422%0.22330%0.303CS..PPolyproline II helixtrans-83.2120.7173-73.30000110.4P437 K439 P440 H587P437-C442 WeakPolarHBondContact O-CB 3.44Å; K439-C442 WeakPolarHBondContact O-CB 3.43Å; K439-C442 PolarHBondContact O-N 2.76Å; P440-C442 PolarHBondContact O-N 2.74Å; C442-H587 WeakPolarHBondContact O-CB 3.48Å
443P95.9Very high96.4Very high61 Ų6154.8 Ų54.840%0.39630%0.299SS..PPolyproline II helixtrans-68.8154.4-179.929.1-35000112.1P312 N436P312-P443 HydrophobicContact CB-CB 4.44Å; P312-P443 HydrophobicContact CG-CB 4.06Å; N436-P443 PolarHBondContact ND2-O 3.38Å
444L98Very high96.5Very high4 Ų453 Ų532%0.02129%0.289CS..PPolyproline II helixtrans-57.1144.3170.1-69.5166.7000110.6P312 L313 Y569 H587 M617P312-L444 WeakPolarHBondContact CA-O 3.44Å; P312-L444 HydrophobicContact CB-CB 4.36Å; P312-L444 WeakPolarHBondContact CB-O 3.22Å; L313-L444 HydrophobicContact CB-CB 4.04Å; L313-L444 HydrophobicContact CB-CD1 4.09Å; L444-Y569 HydrophobicContact CD2-CD1 4.2Å; L444-Y569 HydrophobicContact CD2-CG 4.43Å; L444-Y569 WeakPolarHBondContact CD2-O 3.24Å; L444-H587 WeakPolarHBondContact CD2-O 3.16Å; L444-H587 HydrophobicContact CG-CB 4.35Å; L444-M617 HydrophobicContact CD1-CE 3.93Å; L444-M617 HydrophobicContact CD1-CG 3.87Å; L444-M617 HydrophobicContact CD1-SD 4.15Å; L444-M617 HydrophobicContact CD2-CE 4.34Å
445P98.1Very high96.7Very high0 Ų046.8 Ų46.80%025%0.249CC..PPolyproline II helixtrans-62.415917230.1-38.4000111.2L313 L433 N436 Q449 L450 Y569L313-P445 WeakPolarHBondContact CG-O 3.45Å; L313-P445 PolarHBondContact N-O 2.96Å; L433-P445 HydrophobicContact CD1-CB 4.02Å; N436-P445 HydrophobicContact CB-CB 4.38Å; P445-Q449 VanDerWaalsContact CA-OE1 3.23Å; P445-Q449 HydrophobicContact CB-CB 4.19Å; P445-L450 HydrophobicContact CB-CD1 4.2Å; P445-L450 HydrophobicContact CB-CD2 4.42Å; P445-L450 HydrophobicContact CB-CG 4.03Å; P445-L450 HydrophobicContact CG-CD1 3.51Å; P445-L450 HydrophobicContact CG-CD2 4.09Å; P445-L450 HydrophobicContact CG-CG 3.81Å; P445-Y569 HydrophobicContact CG-CD1 4.13Å; P445-Y569 HydrophobicContact CG-CD2 3.78Å; P445-Y569 HydrophobicContact CG-CE1 4.06Å; P445-Y569 HydrophobicContact CG-CE2 3.68Å; P445-Y569 HydrophobicContact CG-CG 3.98Å
446S98.4Very high96.9Very high2 Ų243.2 Ų43.21%0.01422%0.224CC..PPolyproline II helixtrans-78.9158.7177.576.10000112.8M309 D310 Q311 N448 Q449 L450M309-S446 WeakPolarHBondContact O-CB 3.34Å; D310-S446 VanDerWaalsContact C-CB 3.41Å; D310-S446 WeakPolarHBondContact O-CB 3.3Å; Q311-S446 WeakPolarHBondContact O-CA 3.49Å; Q311-S446 WeakPolarHBondContact O-CB 3.36Å; S446-N448 PolarHBondContact O-N 2.88Å; S446-N448 PolarHBondContact OG-N 2.86Å; S446-Q449 PolarHBondContact O-N 3.44Å; S446-Q449 VanDerWaalsContact O-N 3.13Å; S446-Q449 WeakPolarHBondContact OG-CG 3.5Å; S446-Q449 PolarHBondContact OG-N 3.06Å; S446-Q449 VanDerWaalsContact OG-N 3.1Å; S446-L450 PolarHBondContact O-N 2.98Å; S446-L450 VanDerWaalsContact O-N 3.15Å
447P98.5Very high96.9Very high0 Ų043.4 Ų43.40%022%0.224CC..THydrogen-bonded Turntrans-52.5-37.5168.9-27.434.8000113.2M309 Q311 L313 Y316 Y398 P399 L450 K451 Y671M309-P447 HydrophobicContact CE-CB 3.9Å; M309-P447 HydrophobicContact CE-CG 4.19Å; M309-P447 WeakPolarHBondContact O-CD 3.38Å; Q311-P447 WeakPolarHBondContact O-CD 3.48Å; L313-P447 HydrophobicContact CD2-CG 4.2Å; Y316-P447 HydrophobicContact CD1-CG 4.45Å; Y316-P447 HydrophobicContact CD2-CG 3.84Å; Y316-P447 HydrophobicContact CE1-CG 4.18Å; Y316-P447 VanDerWaalsContact CE2-CD 3.4Å; Y316-P447 HydrophobicContact CE2-CG 3.54Å; Y316-P447 HydrophobicContact CG-CG 4.29Å; Y398-P447 HydrophobicContact CD1-CB 3.53Å; Y398-P447 HydrophobicContact CE1-CB 4.01Å; Y398-P447 HydrophobicContact CG-CB 4.46Å; P399-P447 WeakPolarHBondContact CD-O 3.47Å; P447-L450 CarbonylContact O-C 3.5Å; P447-L450 PolarHBondContact O-N 2.93Å; P447-K451 PolarHBondContact O-N 3.39Å; P447-Y671 HydrophobicContact CG-CD1 4.15Å; P447-Y671 HydrophobicContact CG-CE1 4.43Å
448N98.1Very high96.8Very high42 Ų4241.2 Ų41.223%0.22521%0.21CC..THydrogen-bonded Turntrans-64.1-43.3175.4-92.4-22.3000113.1M309 D310 S446 L450 K451M309-N448 WeakPolarHBondContact O-CB 3.41Å; M309-N448 PolarHBondContact O-N 2.93Å; M309-N448 VanDerWaalsContact O-N 3.1Å; D310-N448 WeakPolarHBondContact OD1-CB 2.9Å; D310-N448 PolarHBondContact OD1-ND2 3.42Å; D310-N448 PolarHBondContact OD2-ND2 2.99Å; D310-N448 VanDerWaalsContact OD2-ND2 3.11Å; S446-N448 PolarHBondContact O-N 2.88Å; S446-N448 PolarHBondContact OG-N 2.86Å; N448-L450 PolarHBondContact O-N 2.88Å; N448-K451 PolarHBondContact O-N 3.27Å; N448-K451 WeakPolarHBondContact OD1-CE 3.43Å; N448-K451 PolarHBondContact OD1-NZ 3.35Å
449Q98Very high96.7Very high88 Ų8842.8 Ų42.841%0.41122%0.215SC..THydrogen-bonded Turntrans-64.6-25.1176.7-71.6176.1-56.500112.6L433 S435 N436 P445 S446L433-Q449 HydrophobicContact CD1-CB 4.12Å; S435-Q449 PolarHBondContact OG-NE2 2.92Å; N436-Q449 PolarHBondContact OD1-NE2 2.86Å; P445-Q449 VanDerWaalsContact CA-OE1 3.23Å; P445-Q449 HydrophobicContact CB-CB 4.19Å; S446-Q449 PolarHBondContact O-N 3.44Å; S446-Q449 VanDerWaalsContact O-N 3.13Å; S446-Q449 WeakPolarHBondContact OG-CG 3.5Å; S446-Q449 PolarHBondContact OG-N 3.06Å; S446-Q449 VanDerWaalsContact OG-N 3.1Å
450L98.3Very high96.5Very high0 Ų039.4 Ų39.40%020%0.198CC..THydrogen-bonded Turntrans-105.619.7-178.9-66.8-180000113.5L313 P399 L429 L433 P445 S446 P447 N448 R452 K453 L455L313-L450 HydrophobicContact CD1-CD1 3.49Å; L313-L450 VanDerWaalsContact CD1-CD1 3.49Å; L313-L450 HydrophobicContact CG-CD1 4.32Å; P399-L450 HydrophobicContact CB-CB 3.87Å; P399-L450 HydrophobicContact CG-CB 3.71Å; P399-L450 HydrophobicContact CG-CD1 4.44Å; L429-L450 HydrophobicContact CD1-CD2 4.32Å; L429-L450 HydrophobicContact CD2-CD2 3.61Å; L433-L450 HydrophobicContact CD1-CD2 4Å; P445-L450 HydrophobicContact CB-CD1 4.2Å; P445-L450 HydrophobicContact CB-CD2 4.42Å; P445-L450 HydrophobicContact CB-CG 4.03Å; P445-L450 HydrophobicContact CG-CD1 3.51Å; P445-L450 HydrophobicContact CG-CD2 4.09Å; P445-L450 HydrophobicContact CG-CG 3.81Å; S446-L450 PolarHBondContact O-N 2.98Å; S446-L450 VanDerWaalsContact O-N 3.15Å; P447-L450 CarbonylContact O-C 3.5Å; P447-L450 PolarHBondContact O-N 2.93Å; N448-L450 PolarHBondContact O-N 2.88Å; L450-R452 PolarHBondContact O-N 3.33Å; L450-K453 HydrophobicContact CB-CB 4.46Å; L450-K453 VanDerWaalsContact O-CB 3.28Å; L450-K453 WeakPolarHBondContact O-CB 3.41Å; L450-K453 PolarHBondContact O-N 3.36Å; L450-K453 VanDerWaalsContact O-N 3.09Å; L450-L455 HydrophobicContact CD1-CD1 4.2Å; L450-L455 HydrophobicContact CD1-CD2 4.12Å
451K97.7Very high96.2Very high94 Ų9437.1 Ų37.141%0.40918%0.182SC..THydrogen-bonded Turntrans-53.7133.2176.1-89.8176.7171.3165.30111.6D397 Y398 P447 N448 K453D397-K451 CarbonylContact O-C 3.58Å; D397-K451 WeakPolarHBondContact O-CA 3.32Å; Y398-K451 HydrophobicContact CD1-CG 4.38Å; Y398-K451 HydrophobicContact CE1-CG 4.45Å; P447-K451 PolarHBondContact O-N 3.39Å; N448-K451 PolarHBondContact O-N 3.27Å; N448-K451 WeakPolarHBondContact OD1-CE 3.43Å; N448-K451 PolarHBondContact OD1-NZ 3.35Å; K451-K453 PolarHBondContact O-N 3.46Å
452R98Very high95.8Very high123 Ų12336.5 Ų36.546%0.46418%0.177SC..THydrogen-bonded Turntrans5633.8-178.7-55.5179.266.293.80.3113.2F393 D397 L427 L450F393-R452 HydrophobicContact CD1-CB 4.48Å; F393-R452 HydrophobicContact CD1-CG 4.44Å; F393-R452 HydrophobicContact CG-CB 4.47Å; F393-R452 HydrophobicContact CG-CG 4.4Å; F393-R452 VanDerWaalsContact CZ-C 3.43Å; D397-R452 HydrophobicContact CB-CG 4.33Å; D397-R452 PolarHBondContact O-N 3.09Å; D397-R452 IonicContact OD1-NH1 3.39Å; D397-R452 PolarHBondContact OD1-NH1 3.4Å; L427-R452 HydrophobicContact CD2-CB 4.24Å; L427-R452 WeakPolarHBondContact CD2-O 3.33Å; L450-R452 PolarHBondContact O-N 3.33Å
453K98.6Very high95.1Very high64 Ų6439 Ų3928%0.27819%0.193SC..  trans-111142.6174.7-61.2-61.5176.5179.70112.7P399 V400 D426 L427 L429 L450 K451 L455P399-K453 VanDerWaalsContact CA-O 3.22Å; P399-K453 WeakPolarHBondContact CA-O 3.32Å; V400-K453 PolarHBondContact N-O 2.88Å; D426-K453 PolarHBondContact O-NZ 3.27Å; L427-K453 CarbonylContact O-C 3.44Å; L427-K453 VanDerWaalsContact O-CA 3.26Å; L427-K453 WeakPolarHBondContact O-CA 3.35Å; L429-K453 HydrophobicContact CB-CB 4.32Å; L429-K453 HydrophobicContact CD1-CD 4.39Å; L429-K453 HydrophobicContact CD1-CG 4.42Å; L450-K453 HydrophobicContact CB-CB 4.46Å; L450-K453 VanDerWaalsContact O-CB 3.28Å; L450-K453 WeakPolarHBondContact O-CB 3.41Å; L450-K453 PolarHBondContact O-N 3.36Å; L450-K453 VanDerWaalsContact O-N 3.09Å; K451-K453 PolarHBondContact O-N 3.46Å; K453-L455 HydrophobicContact CB-CD1 4.47Å
454I98.7Very high94.4Very high0 Ų041.7 Ų41.70%020%0.204CC..EExtended strand (participates in β ladder)trans-109.5122.6175.1-59.2179.1000107.4I388 A392 F393 V400 L402 F424 L427 L429I388-I454 HydrophobicContact CG2-CD1 4.39Å; A392-I454 HydrophobicContact CB-CD1 4.5Å; F393-I454 HydrophobicContact CE2-CD1 4.14Å; F393-I454 HydrophobicContact CE2-CG1 3.9Å; F393-I454 HydrophobicContact CZ-CD1 4.4Å; F393-I454 HydrophobicContact CZ-CG1 3.69Å; V400-I454 CarbonylContact O-C 3.51Å; V400-I454 VanDerWaalsContact O-CA 3.32Å; V400-I454 WeakPolarHBondContact O-CA 3.34Å; L402-I454 HydrophobicContact CD1-CG2 3.57Å; L402-I454 HydrophobicContact CD2-CG2 4.32Å; L402-I454 HydrophobicContact CG-CG2 3.64Å; F424-I454 HydrophobicContact CB-CD1 4.46Å; F424-I454 HydrophobicContact CD1-CD1 3.49Å; F424-I454 VanDerWaalsContact CD1-CD1 3.49Å; F424-I454 HydrophobicContact CD2-CD1 4.18Å; F424-I454 HydrophobicContact CD2-CG2 4.38Å; F424-I454 HydrophobicContact CE1-CD1 3.57Å; F424-I454 HydrophobicContact CE2-CD1 4.24Å; F424-I454 HydrophobicContact CE2-CG2 4.09Å; F424-I454 HydrophobicContact CG-CD1 3.82Å; F424-I454 HydrophobicContact CZ-CD1 3.94Å; F424-I454 HydrophobicContact CZ-CG2 4.44Å; L427-I454 HydrophobicContact CB-CD1 4.18Å; L427-I454 HydrophobicContact CB-CG1 4.38Å; L427-I454 PolarHBondContact O-N 2.87Å; L429-I454 PolarHBondContact N-O 2.79Å
455L98.5Very high93.8Very high0 Ų044 Ų440%022%0.218CC..EExtended strand (participates in β ladder)trans-104.9141178.9-68.483.6000109.4P399 V400 I401 L402 L429 L450 K453 Y569 T570P399-L455 HydrophobicContact CB-CD1 3.76Å; V400-L455 PolarHBondContact O-N 3.32Å; I401-L455 HydrophobicContact CG1-CB 4.44Å; L402-L455 PolarHBondContact N-O 3.47Å; L429-L455 HydrophobicContact CD2-CD1 4.45Å; L429-L455 HydrophobicContact CD2-CD2 4.13Å; L429-L455 HydrophobicContact CD2-CG 3.93Å; L450-L455 HydrophobicContact CD1-CD1 4.2Å; L450-L455 HydrophobicContact CD1-CD2 4.12Å; K453-L455 HydrophobicContact CB-CD1 4.47Å; L455-Y569 HydrophobicContact CD2-CD2 4.3Å; L455-T570 HydrophobicContact CB-CG2 4.32Å; L455-T570 HydrophobicContact CD2-CG2 4.02Å
456I97.9Very high93.3Very high0 Ų044.8 Ų44.80%022%0.222CC..EExtended strand (participates in β ladder)trans-103.4123.6175.7-63.4-178.2000109.1F404 C420 L428 L566 V567 T570F404-I456 HydrophobicContact CD2-CG2 4.08Å; F404-I456 HydrophobicContact CE2-CD1 4.38Å; F404-I456 HydrophobicContact CE2-CG2 4.16Å; F404-I456 HydrophobicContact CG-CG2 4.45Å; F404-I456 HydrophobicContact CZ-CD1 4.45Å; C420-I456 HydrophobicContact CB-CD1 4.19Å; L428-I456 HydrophobicContact CD1-CD1 3.77Å; L428-I456 HydrophobicContact CD1-CG1 3.96Å; I456-L566 HydrophobicContact CD1-CB 4Å; I456-L566 HydrophobicContact CD1-CD1 3.88Å; I456-V567 HydrophobicContact CG2-CG2 4.28Å; I456-T570 PolarHBondContact O-OG1 3.22Å
457K97.1Very high92.6Very high18 Ų1850.2 Ų50.28%0.07825%0.247CC..EExtended strand (participates in β ladder)trans-98.1106.5165.8171.2-171.7165-79.60108I401 L402 S403 F404 T570 P572 M590 S592I401-K457 HydrophobicContact CG2-CB 4.27Å; L402-K457 PolarHBondContact O-N 2.99Å; S403-K457 PolarHBondContact OG-NZ 2.92Å; F404-K457 PolarHBondContact N-O 3.42Å; K457-T570 WeakPolarHBondContact CA-O 3.4Å; K457-P572 HydrophobicContact CG-CB 4.35Å; K457-P572 HydrophobicContact CG-CG 4.09Å; K457-M590 HydrophobicContact CD-CE 3.83Å; K457-M590 HydrophobicContact CD-SD 3.87Å; K457-M590 HydrophobicContact CG-SD 4.27Å; K457-S592 WeakPolarHBondContact CE-OG 3.5Å
458S93.6Very high92Very high4 Ų457.9 Ų57.93%0.02828%0.276CS..  trans-148.8164.4171.8-158.50000110P572S458-P572 WeakPolarHBondContact O-CD 3.45Å; S458-P572 WeakPolarHBondContact O-CG 3.32Å
459K90.3Very high91.4Very high76 Ų7658.2 Ų58.233%0.3328%0.276SS..  trans-59.7143.3174.7-72.3178.1177-179.70109.9A555 T556 I559K459-A555 PolarHBondContact NZ-O 3.35Å; K459-T556 WeakPolarHBondContact CD-O 3.32Å; K459-I559 HydrophobicContact CB-CD1 3.99Å; K459-I559 HydrophobicContact CB-CG1 3.89Å
460R89.4Confident90.6Very high63 Ų6355.7 Ų55.724%0.23827%0.265CS..  trans-117.6145.6179.5-158.6-178.5169.7-162.3-6.4110.5E466 S564 H571R460-E466 WeakPolarHBondContact CG-OE2 3.27Å; R460-E466 IonicContact CZ-OE1 2.8Å; R460-E466 IonicContact CZ-OE2 3.86Å; R460-E466 IonicContact NE-OE1 3.13Å; R460-E466 PolarHBondContact NE-OE1 3.15Å; R460-E466 IonicContact NE-OE2 3.48Å; R460-E466 PolarHBondContact NE-OE2 2.93Å; R460-E466 IonicContact NH2-OE1 3.09Å; R460-E466 PolarHBondContact NH2-OE1 3.41Å; R460-E466 IonicContact NH2-OE2 3.46Å; R460-S564 WeakPolarHBondContact CA-OG 3.12Å; R460-S564 WeakPolarHBondContact CG-OG 3.36Å; R460-H571 WeakPolarHBondContact CB-NE2 2.97Å
461L87.7Confident89.9Confident29 Ų2961 Ų6115%0.15229%0.29CS..  trans-70.2158.5167.8-64.1173.2000110.2E466 I559 P561 S564L461-E466 HydrophobicContact CB-CB 4Å; L461-I559 HydrophobicContact CD2-CB 4.32Å; L461-I559 HydrophobicContact CG-CB 4.34Å; L461-P561 HydrophobicContact CD1-CB 4.23Å; L461-S564 PolarHBondContact N-OG 3.48Å
462S84.8Confident89.1Confident65 Ų6561 Ų6146%0.45529%0.292SS..  trans-62147.1171.161.20000110.3D464 V465 E466S462-D464 VanDerWaalsContact C-N 3.28Å; S462-D464 PolarHBondContact O-N 3.23Å; S462-V465 PolarHBondContact O-N 2.89Å; S462-V465 WeakPolarHBondContact OG-CB 3.18Å; S462-V465 WeakPolarHBondContact OG-CG2 3.39Å; S462-E466 WeakPolarHBondContact O-CB 3.45Å; S462-E466 PolarHBondContact O-N 2.82Å
463P81.6Confident88.4Confident85 Ų8556.6 Ų56.655%0.55228%0.276SS*.Hα-helixtrans-53.4-42.5-172.2-27.734.7000113.9Q467P463-Q467 WeakPolarHBondContact O-CB 3.3Å; P463-Q467 PolarHBondContact O-N 3.06Å
464D82.3Confident87.5Confident118 Ų11859.5 Ų59.563%0.63129%0.294SS*.Hα-helixtrans-68.5-38.1-178.8-57.5-36.9000112.5S462 R468S462-D464 VanDerWaalsContact C-N 3.28Å; S462-D464 PolarHBondContact O-N 3.23Å; D464-R468 WeakPolarHBondContact O-CB 3.48Å; D464-R468 PolarHBondContact O-N 2.99Å; D464-R468 VanDerWaalsContact O-N 3.16Å
465V85Confident86.5Confident52 Ų5266.8 Ų66.832%0.31533%0.332SS..Hα-helixtrans-73.8-42.9178.5176.30000110.1S462 R468 Q469S462-V465 PolarHBondContact O-N 2.89Å; S462-V465 WeakPolarHBondContact OG-CB 3.18Å; S462-V465 WeakPolarHBondContact OG-CG2 3.39Å; V465-R468 PolarHBondContact O-N 3.08Å; V465-Q469 HydrophobicContact CG1-CG 4.18Å; V465-Q469 VanDerWaalsContact CG1-NE2 3.32Å; V465-Q469 WeakPolarHBondContact O-CB 3.38Å; V465-Q469 WeakPolarHBondContact O-CG 3.36Å; V465-Q469 PolarHBondContact O-N 3.37Å
466E86.1Confident85.1Confident18 Ų1872.8 Ų72.88%0.08436%0.363CS..Hα-helixtrans-56.7-52.6175.1-174.4-18084.300110.5R460 L461 S462 R468 Q469 L470 S564 S565R460-E466 WeakPolarHBondContact CG-OE2 3.27Å; R460-E466 IonicContact CZ-OE1 2.8Å; R460-E466 IonicContact CZ-OE2 3.86Å; R460-E466 IonicContact NE-OE1 3.13Å; R460-E466 PolarHBondContact NE-OE1 3.15Å; R460-E466 IonicContact NE-OE2 3.48Å; R460-E466 PolarHBondContact NE-OE2 2.93Å; R460-E466 IonicContact NH2-OE1 3.09Å; R460-E466 PolarHBondContact NH2-OE1 3.41Å; R460-E466 IonicContact NH2-OE2 3.46Å; L461-E466 HydrophobicContact CB-CB 4Å; S462-E466 WeakPolarHBondContact O-CB 3.45Å; S462-E466 PolarHBondContact O-N 2.82Å; E466-R468 PolarHBondContact O-N 3.14Å; E466-Q469 PolarHBondContact O-N 3.1Å; E466-L470 WeakPolarHBondContact O-CB 3.27Å; E466-L470 PolarHBondContact O-N 2.86Å; E466-S564 VanDerWaalsContact OE2-CB 3.29Å; E466-S564 WeakPolarHBondContact OE2-CB 3.47Å; E466-S564 PolarHBondContact OE2-OG 3.38Å; E466-S565 PolarHBondContact OE2-N 3.41Å
467Q84.1Confident83.4Confident115 Ų11575.4 Ų75.454%0.53739%0.391SS..Hα-helixtrans-60.7-47.4-178.4-174174.7-2.200111.2P463 L470 E471P463-Q467 WeakPolarHBondContact O-CB 3.3Å; P463-Q467 PolarHBondContact O-N 3.06Å; Q467-L470 PolarHBondContact O-N 3.32Å; Q467-E471 HydrophobicContact CG-CG 4.49Å; Q467-E471 WeakPolarHBondContact CG-OE1 3.48Å; Q467-E471 PolarHBondContact NE2-OE1 3.31Å; Q467-E471 WeakPolarHBondContact O-CB 3.4Å; Q467-E471 WeakPolarHBondContact O-CG 3.38Å; Q467-E471 PolarHBondContact O-N 2.97Å
468R85.7Confident81.4Confident162 Ų16282.1 Ų82.161%0.61142%0.422SS*.Hα-helixtrans-63.5-47.4-179.3-168.3-175.3-59.9163.33.4112.4D464 V465 E466 Q472D464-R468 WeakPolarHBondContact O-CB 3.48Å; D464-R468 PolarHBondContact O-N 2.99Å; D464-R468 VanDerWaalsContact O-N 3.16Å; V465-R468 PolarHBondContact O-N 3.08Å; E466-R468 PolarHBondContact O-N 3.14Å; R468-Q472 WeakPolarHBondContact O-CB 3.28Å; R468-Q472 WeakPolarHBondContact O-CG 3.17Å; R468-Q472 PolarHBondContact O-N 3.03Å
469Q85.5Confident79.4Confident49 Ų4983.6 Ų83.623%0.22943%0.43CS..Hα-helixtrans-69.7-34.6179.9-70.3-172.614.900112.1V465 E466 F473 L479 P561V465-Q469 HydrophobicContact CG1-CG 4.18Å; V465-Q469 VanDerWaalsContact CG1-NE2 3.32Å; V465-Q469 WeakPolarHBondContact O-CB 3.38Å; V465-Q469 WeakPolarHBondContact O-CG 3.36Å; V465-Q469 PolarHBondContact O-N 3.37Å; E466-Q469 PolarHBondContact O-N 3.1Å; Q469-F473 VanDerWaalsContact O-CB 3.25Å; Q469-F473 WeakPolarHBondContact O-CB 3.37Å; Q469-F473 PolarHBondContact O-N 2.84Å; Q469-L479 HydrophobicContact CB-CD2 4.32Å; Q469-P561 HydrophobicContact CB-CB 3.9Å; Q469-P561 HydrophobicContact CB-CG 3.95Å
470L82Confident77.3Confident35 Ų3587.9 Ų87.918%0.18345%0.451CS..Hα-helixtrans-69.4-43.7177-170.767.2000111.4E466 Q467 F473 L474 P561 L562E466-L470 WeakPolarHBondContact O-CB 3.27Å; E466-L470 PolarHBondContact O-N 2.86Å; Q467-L470 PolarHBondContact O-N 3.32Å; L470-F473 PolarHBondContact O-N 3.45Å; L470-L474 HydrophobicContact CG-CD1 4.03Å; L470-L474 HydrophobicContact CG-CG 4.5Å; L470-L474 WeakPolarHBondContact O-CB 3.47Å; L470-L474 VanDerWaalsContact O-CG 3.25Å; L470-L474 WeakPolarHBondContact O-CG 3.4Å; L470-L474 PolarHBondContact O-N 3.41Å; L470-P561 HydrophobicContact CB-CB 4.12Å; L470-P561 HydrophobicContact CD1-CB 4.31Å; L470-L562 HydrophobicContact CD1-CB 4.46Å; L470-L562 HydrophobicContact CD1-CD1 4.27Å
471E83.5Confident75.1Confident110 Ų11093.7 Ų93.751%0.51448%0.481SS..Hα-helixtrans-61.6-44.7174.6-76.5174.5-169.900111.2Q467 F473 L474 L475Q467-E471 HydrophobicContact CG-CG 4.49Å; Q467-E471 WeakPolarHBondContact CG-OE1 3.48Å; Q467-E471 PolarHBondContact NE2-OE1 3.31Å; Q467-E471 WeakPolarHBondContact O-CB 3.4Å; Q467-E471 WeakPolarHBondContact O-CG 3.38Å; Q467-E471 PolarHBondContact O-N 2.97Å; E471-F473 PolarHBondContact O-N 3.14Å; E471-L474 PolarHBondContact O-N 3.07Å; E471-L475 VanDerWaalsContact O-CB 3.27Å; E471-L475 WeakPolarHBondContact O-CB 3.45Å; E471-L475 PolarHBondContact O-N 3.14Å
472Q81.4Confident72.9Confident96 Ų9698.5 Ų98.545%0.44951%0.507SS..Hα-helixtrans-59.9-46.9174.5-78177.2-4.100112R468 L474 L475 L476R468-Q472 WeakPolarHBondContact O-CB 3.28Å; R468-Q472 WeakPolarHBondContact O-CG 3.17Å; R468-Q472 PolarHBondContact O-N 3.03Å; Q472-L474 PolarHBondContact O-N 3.29Å; Q472-L475 PolarHBondContact O-N 3.25Å; Q472-L476 WeakPolarHBondContact O-CB 3.49Å; Q472-L476 PolarHBondContact O-N 3.18Å
473F82.3Confident70.2Confident30 Ų30101.7 Ų101.713%0.13252%0.523CS..Hα-helixtrans-61.1-44178173.8-106.9000112.5L414 Q469 L470 E471 G477 L479L414-F473 HydrophobicContact CD1-CE1 4.26Å; L414-F473 HydrophobicContact CD1-CE2 4.36Å; L414-F473 HydrophobicContact CD1-CZ 3.63Å; L414-F473 HydrophobicContact CD2-CE2 4.18Å; L414-F473 HydrophobicContact CD2-CZ 4.12Å; Q469-F473 VanDerWaalsContact O-CB 3.25Å; Q469-F473 WeakPolarHBondContact O-CB 3.37Å; Q469-F473 PolarHBondContact O-N 2.84Å; L470-F473 PolarHBondContact O-N 3.45Å; E471-F473 PolarHBondContact O-N 3.14Å; F473-G477 WeakPolarHBondContact O-CA 3.33Å; F473-G477 PolarHBondContact O-N 3.03Å; F473-L479 HydrophobicContact CB-CD1 4.36Å; F473-L479 HydrophobicContact CB-CD2 4.34Å; F473-L479 HydrophobicContact CB-CG 4.06Å; F473-L479 HydrophobicContact CD2-CD1 3.98Å; F473-L479 HydrophobicContact CD2-CG 4Å; F473-L479 HydrophobicContact CG-CD1 4.39Å; F473-L479 HydrophobicContact CG-CG 4.42Å
474L79.6Confident67.8Low125 Ų125105.2 Ų105.265%0.65453%0.533SS*.Hα-helixtrans-68.9-33.2179.3-72.3170.8000112.6L470 E471 Q472L470-L474 HydrophobicContact CG-CD1 4.03Å; L470-L474 HydrophobicContact CG-CG 4.5Å; L470-L474 WeakPolarHBondContact O-CB 3.47Å; L470-L474 VanDerWaalsContact O-CG 3.25Å; L470-L474 WeakPolarHBondContact O-CG 3.4Å; L470-L474 PolarHBondContact O-N 3.41Å; E471-L474 PolarHBondContact O-N 3.07Å; Q472-L474 PolarHBondContact O-N 3.29Å
475L77.2Confident65.3Low152 Ų152109.5 Ų109.580%0.79655%0.549SS*.Hα-helixtrans-80.8-42.6-179-161.881.7000112.6E471 Q472E471-L475 VanDerWaalsContact O-CB 3.27Å; E471-L475 WeakPolarHBondContact O-CB 3.45Å; E471-L475 PolarHBondContact O-N 3.14Å; Q472-L475 PolarHBondContact O-N 3.25Å
476L69.8Low62.6Low126 Ų126112.2 Ų112.266%0.6657%0.565SS**Hα-helixtrans-100.5-13.4-170.2-67.4161.8000113.6Q472 Q478Q472-L476 WeakPolarHBondContact O-CB 3.49Å; Q472-L476 PolarHBondContact O-N 3.18Å; L476-Q478 PolarHBondContact O-N 3.24Å
477G61.5Low59.8Low56 Ų56115.4 Ų115.458%0.57759%0.594SS**SBendtrans70.3-4.2179.500000115.2F473F473-G477 WeakPolarHBondContact O-CA 3.33Å; F473-G477 PolarHBondContact O-N 3.03Å
478Q56.2Low57Low159 Ų159117.9 Ų117.974%0.74361%0.606SS**SBendtrans-140.7135.3172.8-73.8-179.5-22.600108.9L476L476-Q478 PolarHBondContact O-N 3.24Å
479L52Low54.1Low35 Ų35116.7 Ų116.718%0.18361%0.612CS.*  trans-78.7132.1158.6-77.1152.1000106Q469 F473 E481 H560 P561Q469-L479 HydrophobicContact CB-CD2 4.32Å; F473-L479 HydrophobicContact CB-CD1 4.36Å; F473-L479 HydrophobicContact CB-CD2 4.34Å; F473-L479 HydrophobicContact CB-CG 4.06Å; F473-L479 HydrophobicContact CD2-CD1 3.98Å; F473-L479 HydrophobicContact CD2-CG 4Å; F473-L479 HydrophobicContact CG-CD1 4.39Å; F473-L479 HydrophobicContact CG-CG 4.42Å; L479-E481 PolarHBondContact O-N 3.17Å; L479-E481 VanDerWaalsContact O-N 3.1Å; L479-H560 WeakPolarHBondContact CD1-NE2 3.43Å; L479-P561 HydrophobicContact CD1-CG 3.84Å; L479-P561 HydrophobicContact CD2-CG 4.36Å
480E46.2Very low51.5Low166 Ų166119.9 Ų119.978%0.77664%0.637SS**  trans-49.9122.3169.6-72.5-178.1157.700107.7D482E480-D482 PolarHBondContact O-N 3.18Å
481E41.9Very low48.8Very low184 Ų184124.7 Ų124.786%0.8666%0.663SS**  trans-65.193.4168.7-77.8-175166.600105.4L479 T483L479-E481 PolarHBondContact O-N 3.17Å; L479-E481 VanDerWaalsContact O-N 3.1Å; E481-T483 PolarHBondContact O-N 3.04Å
482D41.4Very low46Very low131 Ų131125.8 Ų125.870%0.70168%0.677SS**  trans-61.291.2169-77-33.6000107.4E480 E484E480-D482 PolarHBondContact O-N 3.18Å; D482-E484 PolarHBondContact O-N 3.06Å
483T29.2Very low43.5Very low131 Ų131129.4 Ų129.480%0.80470%0.697SS**  trans-5489.915231.80000107.4E481E481-T483 PolarHBondContact O-N 3.04Å
484E30.4Very low40.8Very low160 Ų160131.1 Ų131.175%0.74872%0.724SS**  trans-171.5109.2139.8-101.5171.3-158.700107.4D482 V486D482-E484 PolarHBondContact O-N 3.06Å; E484-V486 HydrophobicContact CB-CG2 3.83Å; E484-V486 PolarHBondContact O-N 3.11Å
485E30.2Very low38.2Very low207 Ų207132.8 Ų132.897%0.96773%0.733SS**  trans-6176.9153.8-73.6-176.2161.800107.2A487E485-A487 PolarHBondContact O-N 2.71Å; E485-A487 VanDerWaalsContact O-N 3.09Å
486V27.5Very low35.7Very low110 Ų110131.5 Ų131.567%0.66773%0.732SS**  trans-69.2109.9167.3-1730000105.2E484 E488E484-V486 HydrophobicContact CB-CG2 3.83Å; E484-V486 PolarHBondContact O-N 3.11Å; V486-E488 PolarHBondContact O-N 3.35Å; V486-E488 VanDerWaalsContact O-N 3.15Å
487A27.9Very low33.5Very low84 Ų84133.4 Ų133.469%0.69474%0.743SS**  trans-40122.9171.500000109.6E485 N489E485-A487 PolarHBondContact O-N 2.71Å; E485-A487 VanDerWaalsContact O-N 3.09Å; A487-N489 PolarHBondContact O-N 3.41Å
488E26Very low31.8Very low168 Ų168135.9 Ų135.979%0.78575%0.751SS**  trans-47.7109.1176.3-70.8178.8151.300109.5V486V486-E488 PolarHBondContact O-N 3.35Å; V486-E488 VanDerWaalsContact O-N 3.15Å
489N25.1Very low30.4Very low137 Ų137138 Ų13873%0.73376%0.761SS**  trans-115.9107.6167.2-136.19.5000105A487 D491A487-N489 PolarHBondContact O-N 3.41Å; N489-D491 PolarHBondContact O-N 2.76Å; N489-D491 VanDerWaalsContact O-N 3.17Å
490P29.7Very low29.3Very low116 Ų116142.5 Ų142.575%0.75379%0.79SS**  trans-75.53.9-174.329.8-32.9000113.9
491D26Very low28.5Very low136 Ų136140.2 Ų140.273%0.72779%0.787SS**  trans-105.864.3-171-68.1-28.6000113.3N489N489-D491 PolarHBondContact O-N 2.76Å; N489-D491 VanDerWaalsContact O-N 3.17Å
492V25.7Very low27.9Very low133 Ų133137.7 Ų137.781%0.80678%0.784SS**  trans-148.467.3158.6-1640000111.7
493I28.2Very low27.2Very low172 Ų172137.9 Ų137.988%0.88278%0.784SS**SBendtrans-138.3112141.8-59.2-176.2000105.2
494G25.1Very low27.2Very low66 Ų66132.1 Ų132.168%0.6875%0.75SS**  trans-65.6139.2-176.700000111.3
495D25.1Very low27.1Very low160 Ų160129.4 Ų129.486%0.85675%0.746SS**  trans-150.1145.3136.4-108.1-27000111.5
496T24.3Very low27.1Very low125 Ų125125.9 Ų125.977%0.76773%0.733SS**  trans-44.4145.3173.9210000114.5S498T496-S498 PolarHBondContact O-N 2.97Å
497D24.3Very low27.2Very low166 Ų166124.3 Ų124.389%0.88872%0.721SS**  trans-39.4115.2174.8-64.4-49.1000113.7
498S26.6Very low27.2Very low108 Ų108125.1 Ų125.176%0.75572%0.718SS**  trans-147.6120.1154.6-80.10000110.7T496 T500T496-S498 PolarHBondContact O-N 2.97Å; S498-T500 PolarHBondContact O-N 2.86Å; S498-T500 VanDerWaalsContact O-N 3.13Å
499E25.6Very low27.5Very low202 Ų202118.9 Ų118.994%0.94469%0.694SS**  trans-60.9104.5-173.6-63.8-179.2146.300111.8
500T29.9Very low28Very low131 Ų131114.6 Ų114.680%0.80467%0.67SS**  trans-107140.1166.926.60000111.1S498 V502S498-T500 PolarHBondContact O-N 2.86Å; S498-T500 VanDerWaalsContact O-N 3.13Å; T500-V502 PolarHBondContact O-N 3.32Å
501V29Very low28Very low118 Ų118114.1 Ų114.172%0.71567%0.667SS**  trans-59.7114.4-172.9176.80000110.8L503V501-L503 PolarHBondContact O-N 3.37Å; V501-L503 VanDerWaalsContact O-N 3.12Å
502V28.5Very low28Very low130 Ų130116.8 Ų116.879%0.78868%0.675SS**  trans-68.3106.1172.6-1800000108.4T500T500-V502 PolarHBondContact O-N 3.32Å
503L27.6Very low28.1Very low135 Ų135118.8 Ų118.871%0.70768%0.675SS**  trans-77.2142.9162-73.3165.1000108.7V501V501-L503 PolarHBondContact O-N 3.37Å; V501-L503 VanDerWaalsContact O-N 3.12Å
504S27.8Very low28.1Very low11 Ų11120.6 Ų120.68%0.07768%0.677CS.*  trans-53.6148.7-178.346.10000113.4D506 N507 E911S504-D506 PolarHBondContact O-N 2.97Å; S504-N507 PolarHBondContact O-N 3.02Å; S504-N507 PolarHBondContact OG-ND2 3.21Å; S504-E911 WeakPolarHBondContact CB-OE1 3.5Å; S504-E911 WeakPolarHBondContact CB-OE2 3.46Å; S504-E911 VanDerWaalsContact OG-CD 3.25Å; S504-E911 PolarHBondContact OG-OE1 3Å; S504-E911 PolarHBondContact OG-OE2 3.05Å
505P29.5Very low28.2Very low102 Ų102122.6 Ų122.666%0.66268%0.68SS**G310 helixtrans-60.8-14.9-177.3-19.230.6000114.8N507P505-N507 PolarHBondContact O-N 3.34Å
506D29.9Very low28.4Very low133 Ų133121.7 Ų121.771%0.71168%0.681SS**G310 helixtrans-77.2-4.3-178.3-69-22.4000113.6S504S504-D506 PolarHBondContact O-N 2.97Å
507N29.8Very low28.7Very low77 Ų77123.8 Ų123.841%0.41268%0.682SS.*G310 helixtrans-105.54.9-174.7-74.3-53.9000115.3S504 P505S504-N507 PolarHBondContact O-N 3.02Å; S504-N507 PolarHBondContact OG-ND2 3.21Å; P505-N507 PolarHBondContact O-N 3.34Å
508V28.6Very low29.3Very low102 Ų102120 Ų12062%0.61867%0.674SS**SBendtrans-93.8133.1165.8-175.70000106.9H510V508-H510 PolarHBondContact O-N 3.26Å
509A30.8Very low29.9Very low36 Ų36120.4 Ų120.430%0.29867%0.672SS.*SBendtrans-58.4104160.900000105.8
510H37.1Very low30.6Very low48 Ų48115.2 Ų115.222%0.22266%0.658CS.*SBendtrans97115.9171.9-45.8-68.4000115.9V508 Y550 Y552V508-H510 PolarHBondContact O-N 3.26Å; H510-Y550 AromaticContact CE1-CE1 3.83Å; H510-Y552 HydrophobicContact CB-CD1 4.49Å; H510-Y552 HydrophobicContact CB-CG 4.4Å; H510-Y552 WeakPolarHBondContact CD2-CB 3.34Å; H510-Y552 AromaticContact CD2-CD1 3.67Å; H510-Y552 AromaticContact CD2-CD2 3.86Å; H510-Y552 AromaticContact CD2-CG 3.25Å; H510-Y552 AromaticContact CG-CG 3.83Å; H510-Y552 AromaticContact NE2-CD2 3.94Å; H510-Y552 AromaticContact NE2-CG 3.79Å
511P27.7Very low31Very low106 Ų106113.9 Ų113.969%0.68865%0.645SS**  trans-73.8130.2174.329.3-30.4000110.3E513P511-E513 PolarHBondContact O-N 2.98Å
512E26.7Very low31.5Very low192 Ų192115.9 Ų115.990%0.89764%0.64SS**  trans-77.5108.1168.3-72.6-175.516800109.9
513E27.8Very low32.1Very low174 Ų174115.3 Ų115.381%0.81363%0.633SS**  trans-138.3132.8152.4-77.4-161159.700111.2P511P511-E513 PolarHBondContact O-N 2.98Å
514K28.1Very low32.7Very low210 Ų210116.5 Ų116.591%0.91363%0.632SS**  trans-67.6131.8-178.9-69.2176.6175178.60111.6
515S27.6Very low33.3Very low108 Ų108119.7 Ų119.776%0.75565%0.648SS**  trans-168.8149.2137.5630000114.9
516T28.4Very low33.8Very low142 Ų142121.5 Ų121.587%0.87164%0.641SS**  trans-87.485.9-179.643.80000111.6
517E31.8Very low34.2Very low169 Ų169119.8 Ų119.879%0.7964%0.64SS**  trans-152.92.1171.7-114.6169.9-156.100116.7T519E517-T519 VanDerWaalsContact C-N 3.28Å; E517-T519 PolarHBondContact O-N 3.38Å; E517-T519 VanDerWaalsContact O-N 3.14Å
518A36.6Very low34.5Very low86 Ų86122.9 Ų122.971%0.71166%0.655SS**THydrogen-bonded Turntrans-70.7-10-172.500000116.2S520A518-S520 PolarHBondContact O-N 2.56Å
519T38.7Very low34.7Very low117 Ų117121.2 Ų121.272%0.71865%0.652SS**Hα-helixtrans-77.4-20.1-171.7-26.70000113.6E517E517-T519 VanDerWaalsContact C-N 3.28Å; E517-T519 PolarHBondContact O-N 3.38Å; E517-T519 VanDerWaalsContact O-N 3.14Å
520S39.9Very low34.6Very low93 Ų93123.7 Ų123.765%0.6567%0.667SS**Hα-helixtrans-84.3-30.6-173.6-162.20000114A518A518-S520 PolarHBondContact O-N 2.56Å
521L40.1Very low34.5Very low102 Ų102126.4 Ų126.453%0.53469%0.689SS.*Hα-helixtrans-76.1-34.7-178.9-141.981000112.6N523 K524 I525L521-N523 VanDerWaalsContact C-N 3.27Å; L521-N523 PolarHBondContact O-N 3.4Å; L521-K524 PolarHBondContact O-N 2.82Å; L521-I525 HydrophobicContact CD2-CD1 4.23Å; L521-I525 HydrophobicContact CG-CD1 4.28Å; L521-I525 PolarHBondContact O-N 3.35Å
522R38.8Very low34.6Very low161 Ų161130.4 Ų130.461%0.60869%0.691SS**Hα-helixtrans-59.8-33.9-178.3-163.6175.5-172173.61.6113.2
523N40.1Very low35.1Very low118 Ų118126 Ų12663%0.63167%0.672SS**Hα-helixtrans-82-25.4-179.2-72-17000113.4L521L521-N523 VanDerWaalsContact C-N 3.27Å; L521-N523 PolarHBondContact O-N 3.4Å
524K40Very low35.3Very low160 Ų160127.2 Ų127.270%0.69668%0.675SS**Hα-helixtrans-81.5-25.7179.5-106.1173178174.60113.8L521 S527L521-K524 PolarHBondContact O-N 2.82Å; K524-S527 PolarHBondContact O-OG 3.38Å
525I41.3Very low35.8Very low78 Ų78123.8 Ų123.840%0.467%0.666SS.*Hα-helixtrans-90.1-30.3-179.2-62.7172.2000111.2L521 S527 L528L521-I525 HydrophobicContact CD2-CD1 4.23Å; L521-I525 HydrophobicContact CG-CD1 4.28Å; L521-I525 PolarHBondContact O-N 3.35Å; I525-S527 PolarHBondContact O-N 3.1Å; I525-L528 WeakPolarHBondContact O-CB 3.44Å; I525-L528 PolarHBondContact O-N 2.87Å
526R40.6Very low36.7Very low140 Ų140122.8 Ų122.853%0.52866%0.656SS.*Hα-helixtrans-60.2-27.1175.1-120179.4-175.4177.30.1113.6S360 L528 A529S360-R526 PolarHBondContact OG-NH2 3.49Å; R526-L528 PolarHBondContact O-N 3Å; R526-A529 PolarHBondContact O-N 3.36Å
527S38.3Very low37.8Very low97 Ų97122.5 Ų122.568%0.67865%0.647SS**THydrogen-bonded Turntrans-73.2-9.2174.856.80000114.2K524 I525K524-S527 PolarHBondContact O-OG 3.38Å; I525-S527 PolarHBondContact O-N 3.1Å
528L36.5Very low39Very low142 Ų142115.5 Ų115.574%0.74362%0.615SS**THydrogen-bonded Turntrans-100-15.8177.7-66.2165.6000112.8I525 R526 S530I525-L528 WeakPolarHBondContact O-CB 3.44Å; I525-L528 PolarHBondContact O-N 2.87Å; R526-L528 PolarHBondContact O-N 3Å; L528-S530 PolarHBondContact O-N 2.73Å; L528-S530 VanDerWaalsContact O-N 3.16Å
529A32.5Very low40.4Very low66 Ų66113.9 Ų113.955%0.54560%0.599SS.*  trans-87.279.2178.700000111.1R526R526-A529 PolarHBondContact O-N 3.36Å
530S29.1Very low41.6Very low88 Ų88116.1 Ų116.162%0.61560%0.598SS**  trans-69.7154.5158.8-79.80000110.5L528 R532L528-S530 PolarHBondContact O-N 2.73Å; L528-S530 VanDerWaalsContact O-N 3.16Å; S530-R532 PolarHBondContact O-N 3.21Å
531P33.4Very low42.9Very low106 Ų106118 Ų11869%0.68860%0.597SS**SBendtrans-75.738.6-172.733-37.6000114.4F86F86-P531 HydrophobicContact CZ-CB 4.22Å; F86-P531 HydrophobicContact CZ-CG 4.15Å
532R30.1Very low44.1Very low190 Ų190117.7 Ų117.772%0.71759%0.593SS**  trans-13157.5177.6-72-170.6179.1-177.2-0.2111.8S530S530-R532 PolarHBondContact O-N 3.21Å
533I38.7Very low45.2Very low98 Ų98111.8 Ų111.850%0.50357%0.572SS.*  trans-115.393.6171-52.2171.5000109.9V536I533-V536 HydrophobicContact CB-CG2 4.33Å; I533-V536 HydrophobicContact CD1-CG2 3.89Å; I533-V536 HydrophobicContact CG2-CB 4.26Å; I533-V536 HydrophobicContact CG2-CG2 3.34Å
534K31.6Very low46.4Very low200 Ų200112.1 Ų112.187%0.8757%0.57SS**SBendtrans-74.9117.5144.7-74.2-176.4172.1-1730105.6
535D37.9Very low47.8Very low139 Ų139112.3 Ų112.374%0.74357%0.566SS**  trans55.689.4170.3-50.3-34.9000117I537D535-I537 VanDerWaalsContact C-N 3.34Å; D535-I537 HydrophobicContact CB-CG1 4.41Å; D535-I537 PolarHBondContact O-N 2.9Å
536V46.4Very low48.8Very low87 Ų87110.5 Ų110.553%0.52756%0.557SS.*  trans-68.896.8158.6-176.30000107.2I533 L538I533-V536 HydrophobicContact CB-CG2 4.33Å; I533-V536 HydrophobicContact CD1-CG2 3.89Å; I533-V536 HydrophobicContact CG2-CB 4.26Å; I533-V536 HydrophobicContact CG2-CG2 3.34Å; V536-L538 HydrophobicContact CG1-CD2 4.04Å; V536-L538 HydrophobicContact CG1-CG 4.08Å; V536-L538 PolarHBondContact O-N 3.14Å
537I50.8Low50Low136 Ų136107.9 Ų107.970%0.69755%0.55SS*.  trans-78.896.9168.2-57.5174.9000107.1D535D535-I537 VanDerWaalsContact C-N 3.34Å; D535-I537 HydrophobicContact CB-CG1 4.41Å; D535-I537 PolarHBondContact O-N 2.9Å
538L58Low51.1Low21 Ų21107.2 Ų107.211%0.1155%0.55CS..  trans-67131.6171.1-69.1166.3000109.2R329 V536 E542 E543 L546R329-L538 PolarHBondContact NH1-O 2.9Å; V536-L538 HydrophobicContact CG1-CD2 4.04Å; V536-L538 HydrophobicContact CG1-CG 4.08Å; V536-L538 PolarHBondContact O-N 3.14Å; L538-E542 HydrophobicContact CD2-CB 4.29Å; L538-E543 HydrophobicContact CB-CG 3.66Å; L538-E543 HydrophobicContact CD1-CG 4.25Å; L538-L546 HydrophobicContact CD1-CD1 3.83Å; L538-L546 HydrophobicContact CD2-CD1 3.94Å
539S64.9Low52.3Low53 Ų53106 Ų10637%0.37154%0.54SS..  trans-68.5154.2170.866.50000110.4E541 E542 E543S539-E541 PolarHBondContact O-N 3.4Å; S539-E542 WeakPolarHBondContact CB-OE2 3.41Å; S539-E542 PolarHBondContact N-OE2 3.35Å; S539-E542 WeakPolarHBondContact O-CB 3.16Å; S539-E542 PolarHBondContact O-N 3.18Å; S539-E542 VanDerWaalsContact OG-CG 3.24Å; S539-E542 WeakPolarHBondContact OG-CG 3.45Å; S539-E542 PolarHBondContact OG-N 3.13Å; S539-E542 PolarHBondContact OG-OE2 3.1Å; S539-E543 PolarHBondContact O-N 3.44Å
540K65Low53.4Low163 Ų163104.2 Ų104.271%0.70952%0.52SS*.Hα-helixtrans-56.1-36.2-178-148.2-178.6-175.8-172.70112.6E544K540-E544 WeakPolarHBondContact O-CG 3.39Å; K540-E544 PolarHBondContact O-N 2.75Å
541E66.9Low54.8Low134 Ų134104.8 Ų104.863%0.62651%0.513SS*.Hα-helixtrans-69.6-35.9175.5-72.2-178.2169.500113S539 R545S539-E541 PolarHBondContact O-N 3.4Å; E541-R545 WeakPolarHBondContact O-CB 3.35Å; E541-R545 VanDerWaalsContact O-CG 3.3Å; E541-R545 WeakPolarHBondContact O-CG 3.42Å; E541-R545 PolarHBondContact O-N 2.77Å; E541-R545 VanDerWaalsContact O-N 3.08Å
542E65.1Low56Low94 Ų94103.7 Ų103.744%0.43950%0.495SS..Hα-helixtrans-70.1-38.1175.5-73.1165.8142.300111.4L538 S539 R545 L546L538-E542 HydrophobicContact CD2-CB 4.29Å; S539-E542 WeakPolarHBondContact CB-OE2 3.41Å; S539-E542 PolarHBondContact N-OE2 3.35Å; S539-E542 WeakPolarHBondContact O-CB 3.16Å; S539-E542 PolarHBondContact O-N 3.18Å; S539-E542 VanDerWaalsContact OG-CG 3.24Å; S539-E542 WeakPolarHBondContact OG-CG 3.45Å; S539-E542 PolarHBondContact OG-N 3.13Å; S539-E542 PolarHBondContact OG-OE2 3.1Å; E542-R545 PolarHBondContact O-N 3Å; E542-L546 WeakPolarHBondContact O-CB 3.39Å; E542-L546 WeakPolarHBondContact O-CG 3.41Å; E542-L546 PolarHBondContact O-N 3.42Å
543E61.6Low57.9Low37 Ų3796.6 Ų96.617%0.17347%0.473CS..Hα-helixtrans-63-47.1173.5-70.2-170.7146.800111.9R329 L538 S539 R545 L546 F547R329-E543 VanDerWaalsContact CD-OE1 3.31Å; R329-E543 WeakPolarHBondContact CD-OE1 3.08Å; R329-E543 IonicContact CZ-OE1 3.74Å; R329-E543 IonicContact NE-OE1 2.71Å; R329-E543 IonicContact NH1-OE1 3.74Å; R329-E543 PolarHBondContact NH1-OE1 2.92Å; R329-E543 IonicContact NH1-OE2 2.82Å; L538-E543 HydrophobicContact CB-CG 3.66Å; L538-E543 HydrophobicContact CD1-CG 4.25Å; S539-E543 PolarHBondContact O-N 3.44Å; E543-R545 VanDerWaalsContact C-N 3.29Å; E543-R545 PolarHBondContact O-N 2.89Å; E543-L546 PolarHBondContact O-N 2.86Å; E543-F547 WeakPolarHBondContact O-CB 3.06Å; E543-F547 PolarHBondContact O-N 2.76Å
544E66.6Low59.4Low125 Ų12595.8 Ų95.858%0.58448%0.476SS*.Hα-helixtrans-60.6-38.6176.5-76.7175.8-175.400111.8K540 A548K540-E544 WeakPolarHBondContact O-CG 3.39Å; K540-E544 PolarHBondContact O-N 2.75Å; E544-A548 WeakPolarHBondContact O-CB 3.17Å; E544-A548 PolarHBondContact O-N 2.98Å
545R68.1Low61.7Low164 Ų16487 Ų8762%0.61944%0.441SS*.Hα-helixtrans-68.4-42.8174.9-75.9179-170.9-179.48112.9E541 E542 E543 F547 A548 Q549E541-R545 WeakPolarHBondContact O-CB 3.35Å; E541-R545 VanDerWaalsContact O-CG 3.3Å; E541-R545 WeakPolarHBondContact O-CG 3.42Å; E541-R545 PolarHBondContact O-N 2.77Å; E541-R545 VanDerWaalsContact O-N 3.08Å; E542-R545 PolarHBondContact O-N 3Å; E543-R545 VanDerWaalsContact C-N 3.29Å; E543-R545 PolarHBondContact O-N 2.89Å; R545-F547 VanDerWaalsContact C-N 3.31Å; R545-A548 PolarHBondContact O-N 3.14Å; R545-Q549 WeakPolarHBondContact O-CG 3.48Å; R545-Q549 PolarHBondContact O-N 3.49Å; R545-Q549 VanDerWaalsContact O-N 3.14Å
546L63.3Low63.7Low40 Ų4082 Ų8221%0.20942%0.416CS..Hα-helixtrans-62.7-41.9176.5-83.2161.2000110.6M375 L538 E542 E543 Q549 Y550M375-L546 HydrophobicContact CE-CD1 4.07Å; M375-L546 HydrophobicContact CE-CD2 3.96Å; L538-L546 HydrophobicContact CD1-CD1 3.83Å; L538-L546 HydrophobicContact CD2-CD1 3.94Å; E542-L546 WeakPolarHBondContact O-CB 3.39Å; E542-L546 WeakPolarHBondContact O-CG 3.41Å; E542-L546 PolarHBondContact O-N 3.42Å; E543-L546 PolarHBondContact O-N 2.86Å; L546-Q549 CarbonylContact O-C 3.6Å; L546-Q549 PolarHBondContact O-N 3.35Å; L546-Y550 WeakPolarHBondContact O-CB 3.16Å; L546-Y550 PolarHBondContact O-N 3.02Å
547F64.5Low65.4Low86 Ų8682.9 Ų82.938%0.37742%0.421SS..Hα-helixtrans-63.3-44.6175.7-170.1-98.7000111.9F331 E543 R545 Q549 Y550 G624 V627F331-F547 HydrophobicContact CE2-CD2 4Å; F331-F547 HydrophobicContact CZ-CD2 4.12Å; E543-F547 WeakPolarHBondContact O-CB 3.06Å; E543-F547 PolarHBondContact O-N 2.76Å; R545-F547 VanDerWaalsContact C-N 3.31Å; F547-Q549 PolarHBondContact O-N 2.9Å; F547-Y550 WeakPolarHBondContact O-CB 3.38Å; F547-Y550 PolarHBondContact O-N 3.41Å; F547-Y550 VanDerWaalsContact O-N 3.1Å; F547-G624 WeakPolarHBondContact CE2-O 3.35Å; F547-V627 HydrophobicContact CD2-CG1 3.51Å; F547-V627 HydrophobicContact CE2-CG1 3.81Å; F547-V627 HydrophobicContact CG-CG1 4.4Å
548A62.9Low67.1Low82 Ų8280.6 Ų80.668%0.67841%0.41SS*.Hα-helixtrans-62.9-25.4177.100000113.5E544 R545E544-A548 WeakPolarHBondContact O-CB 3.17Å; E544-A548 PolarHBondContact O-N 2.98Å; R545-A548 PolarHBondContact O-N 3.14Å
549Q61.2Low68.6Low117 Ų11779.7 Ų79.755%0.54741%0.406SS..Hα-helixtrans-96.6-5.9177.5-66.8177.716.100113.1R545 L546 F547 H551R545-Q549 WeakPolarHBondContact O-CG 3.48Å; R545-Q549 PolarHBondContact O-N 3.49Å; R545-Q549 VanDerWaalsContact O-N 3.14Å; L546-Q549 CarbonylContact O-C 3.6Å; L546-Q549 PolarHBondContact O-N 3.35Å; F547-Q549 PolarHBondContact O-N 2.9Å; Q549-H551 PolarHBondContact O-N 3.27Å; Q549-H551 PolarHBondContact O-ND1 2.83Å
550Y56Low69.9Low29 Ų2977.4 Ų77.411%0.11439%0.389CS..  trans-76.1118.7-176.5-176.8-102.5000111F331 H371 G372 K373 A374 H510 L546 F547F331-Y550 HydrophobicContact CE1-CD1 4.41Å; F331-Y550 AromaticContact CE1-CD2 3.35Å; F331-Y550 HydrophobicContact CE1-CD2 3.35Å; F331-Y550 AromaticContact CE1-CE2 3.96Å; F331-Y550 HydrophobicContact CE1-CE2 3.96Å; F331-Y550 AromaticContact CE1-CG 3.59Å; F331-Y550 HydrophobicContact CE1-CG 3.59Å; F331-Y550 AromaticContact CZ-CD1 3.89Å; F331-Y550 HydrophobicContact CZ-CD1 3.89Å; F331-Y550 AromaticContact CZ-CD2 3.67Å; F331-Y550 HydrophobicContact CZ-CD2 3.67Å; F331-Y550 HydrophobicContact CZ-CE1 4.37Å; F331-Y550 HydrophobicContact CZ-CE2 4.12Å; F331-Y550 AromaticContact CZ-CG 3.51Å; F331-Y550 HydrophobicContact CZ-CG 3.51Å; H371-Y550 PolarHBondContact NE2-OH 2.95Å; G372-Y550 WeakPolarHBondContact O-CE2 3.23Å; G372-Y550 PolarHBondContact O-OH 3.48Å; G372-Y550 VanDerWaalsContact O-OH 3.13Å; K373-Y550 HydrophobicContact CB-CE2 4.21Å; A374-Y550 HydrophobicContact CB-CE2 3.96Å; H510-Y550 AromaticContact CE1-CE1 3.83Å; L546-Y550 WeakPolarHBondContact O-CB 3.16Å; L546-Y550 PolarHBondContact O-N 3.02Å; F547-Y550 WeakPolarHBondContact O-CB 3.38Å; F547-Y550 PolarHBondContact O-N 3.41Å; F547-Y550 VanDerWaalsContact O-N 3.1Å
551H57.3Low71.1Confident100 Ų10069.7 Ų69.746%0.46336%0.355SS..  trans-112.2110.4175.3-65.971.5000108.5Q549Q549-H551 PolarHBondContact O-N 3.27Å; Q549-H551 PolarHBondContact O-ND1 2.83Å
552Y60.4Low72.3Confident83 Ų8364.3 Ų64.333%0.32533%0.331SS..  trans-62.4146.9169.8179.6-105000110.3E405 H510E405-Y552 VanDerWaalsContact OE1-CE2 3.32Å; E405-Y552 WeakPolarHBondContact OE1-CE2 3.45Å; E405-Y552 PolarHBondContact OE1-OH 2.96Å; H510-Y552 HydrophobicContact CB-CD1 4.49Å; H510-Y552 HydrophobicContact CB-CG 4.4Å; H510-Y552 WeakPolarHBondContact CD2-CB 3.34Å; H510-Y552 AromaticContact CD2-CD1 3.67Å; H510-Y552 AromaticContact CD2-CD2 3.86Å; H510-Y552 AromaticContact CD2-CG 3.25Å; H510-Y552 AromaticContact CG-CG 3.83Å; H510-Y552 AromaticContact NE2-CD2 3.94Å; H510-Y552 AromaticContact NE2-CG 3.79Å
553T68.1Low73.6Confident40 Ų4059.9 Ų59.925%0.24531%0.31CS..  trans-121.2125.3175.243.60000106W356 H407W356-T553 WeakPolarHBondContact CH2-OG1 3.15Å; H407-T553 PolarHBondContact CE1-O 3.27Å
554S71.2Confident75.1Confident81 Ų8158.1 Ų58.157%0.56630%0.302SS*.PPolyproline II helixtrans-67.6148.4175.6590000111.1
555A79.6Confident76.3Confident16 Ų1653.6 Ų53.613%0.13228%0.284CS..PPolyproline II helixtrans-52.2141.4173.100000111.9E405 N406 H407 K459E405-A555 HydrophobicContact CG-CB 4.22Å; N406-A555 CarbonylContact O-C 3.56Å; N406-A555 VanDerWaalsContact O-CA 3.28Å; N406-A555 WeakPolarHBondContact O-CA 3.38Å; N406-A555 WeakPolarHBondContact O-CB 3.24Å; H407-A555 PolarHBondContact CE1-N 2.94Å; K459-A555 PolarHBondContact NZ-O 3.35Å
556T80.8Confident77.6Confident35 Ų3545.9 Ų45.922%0.21526%0.255CS..PPolyproline II helixtrans-57.8143.4-177.8-1730000112.3N406 K459 N558 I559N406-T556 WeakPolarHBondContact O-CG2 3.44Å; N406-T556 PolarHBondContact O-N 3.2Å; K459-T556 WeakPolarHBondContact CD-O 3.32Å; T556-N558 PolarHBondContact OG1-N 3.21Å; T556-I559 HydrophobicContact CG2-CD1 4.08Å
557T81Confident79.1Confident105 Ų10544.1 Ų44.164%0.64425%0.246SC*.SBendtrans-90.4-14.1170.951.60000112.3I559T557-I559 PolarHBondContact O-N 3.4Å
558N86.3Confident80.6Confident87 Ų8740.1 Ų40.147%0.46523%0.229SC..  trans-87.484.6-179-166.66.2000110.6K410 Q413 T556K410-N558 WeakPolarHBondContact CE-OD1 3.32Å; Q413-N558 PolarHBondContact NE2-O 2.94Å; T556-N558 PolarHBondContact OG1-N 3.21Å
559I90.7Very high82.2Confident3 Ų336.4 Ų36.42%0.01520%0.197CC..  trans-92.6136.1-173.5-54.4-59.4000111.4K459 L461 T556 T557K459-I559 HydrophobicContact CB-CD1 3.99Å; K459-I559 HydrophobicContact CB-CG1 3.89Å; L461-I559 HydrophobicContact CD2-CB 4.32Å; L461-I559 HydrophobicContact CG-CB 4.34Å; T556-I559 HydrophobicContact CG2-CD1 4.08Å; T557-I559 PolarHBondContact O-N 3.4Å
560H91.9Very high83.8Confident5 Ų530.9 Ų30.92%0.02317%0.172CC..  trans-68.8133172.1-171.6-75.4000110.5Q413 L479 L562 L563 S564Q413-H560 HydrophobicContact CB-CB 3.82Å; L479-H560 WeakPolarHBondContact CD1-NE2 3.43Å; H560-L562 VanDerWaalsContact C-N 3.29Å; H560-L562 WeakPolarHBondContact ND1-CB 3.38Å; H560-L562 PolarHBondContact ND1-N 3.48Å; H560-L562 VanDerWaalsContact ND1-N 3.12Å; H560-L562 PolarHBondContact O-N 2.82Å; H560-L563 PolarHBondContact O-N 3.5Å; H560-S564 PolarHBondContact O-N 3.08Å
561P90.6Very high85.7Confident0 Ų030.6 Ų30.60%017%0.171CC..Hα-helixtrans-58.4-36.7-174.222.8-35.7000113.5L461 Q469 L470 L479 S564 S565L461-P561 HydrophobicContact CD1-CB 4.23Å; Q469-P561 HydrophobicContact CB-CB 3.9Å; Q469-P561 HydrophobicContact CB-CG 3.95Å; L470-P561 HydrophobicContact CB-CB 4.12Å; L470-P561 HydrophobicContact CD1-CB 4.31Å; L479-P561 HydrophobicContact CD1-CG 3.84Å; L479-P561 HydrophobicContact CD2-CG 4.36Å; P561-S564 WeakPolarHBondContact O-CB 3.26Å; P561-S564 PolarHBondContact O-N 3.47Å; P561-S565 PolarHBondContact O-N 3.32Å
562L91Very high87.4Confident22 Ų2227.1 Ų27.112%0.11516%0.158CC..Hα-helixtrans-61.7-43.7174.8-170.865000112.7L414 A417 M421 L470 H560 S565L414-L562 HydrophobicContact CD1-CD2 3.76Å; A417-L562 HydrophobicContact CB-CB 4.34Å; A417-L562 HydrophobicContact CB-CD2 3.9Å; A417-L562 HydrophobicContact CB-CG 3.92Å; M421-L562 HydrophobicContact SD-CD1 3.98Å; M421-L562 HydrophobicContact SD-CD2 4.15Å; M421-L562 HydrophobicContact SD-CG 4.2Å; L470-L562 HydrophobicContact CD1-CB 4.46Å; L470-L562 HydrophobicContact CD1-CD1 4.27Å; H560-L562 VanDerWaalsContact C-N 3.29Å; H560-L562 WeakPolarHBondContact ND1-CB 3.38Å; H560-L562 PolarHBondContact ND1-N 3.48Å; H560-L562 VanDerWaalsContact ND1-N 3.12Å; H560-L562 PolarHBondContact O-N 2.82Å; L562-S565 PolarHBondContact O-N 2.86Å; L562-S565 PolarHBondContact O-OG 3.07Å
563L92.5Very high89Confident0 Ų025.4 Ų25.40%016%0.156CC..Hα-helixtrans-67.5-40.8177.9-177.761.1000111F404 N406 Q413 A417 H560 S565 L566F404-L563 HydrophobicContact CD2-CD1 4.4Å; F404-L563 HydrophobicContact CE2-CD1 4.26Å; N406-L563 WeakPolarHBondContact ND2-CD2 3.42Å; Q413-L563 HydrophobicContact CB-CD2 4.11Å; Q413-L563 HydrophobicContact CG-CD2 4.22Å; A417-L563 HydrophobicContact CB-CB 4.19Å; A417-L563 HydrophobicContact CB-CD1 4.34Å; H560-L563 PolarHBondContact O-N 3.5Å; L563-S565 VanDerWaalsContact C-N 3.3Å; L563-S565 PolarHBondContact O-N 3.31Å; L563-L566 HydrophobicContact CD1-CD1 4.5Å; L563-L566 PolarHBondContact O-N 3.03Å
564S93.2Very high90Very high0 Ų033.4 Ų33.40%019%0.187CC..Hα-helixtrans-54.4-45.2173.6-172.30000111.8R460 L461 E466 H560 P561 L566 V567R460-S564 WeakPolarHBondContact CA-OG 3.12Å; R460-S564 WeakPolarHBondContact CG-OG 3.36Å; L461-S564 PolarHBondContact N-OG 3.48Å; E466-S564 VanDerWaalsContact OE2-CB 3.29Å; E466-S564 WeakPolarHBondContact OE2-CB 3.47Å; E466-S564 PolarHBondContact OE2-OG 3.38Å; H560-S564 PolarHBondContact O-N 3.08Å; P561-S564 WeakPolarHBondContact O-CB 3.26Å; P561-S564 PolarHBondContact O-N 3.47Å; S564-L566 PolarHBondContact O-N 3.36Å; S564-L566 VanDerWaalsContact O-N 3.1Å; S564-V567 PolarHBondContact O-N 3.47Å; S564-V567 VanDerWaalsContact O-N 3.08Å
565S92.3Very high91.1Very high31 Ų3131.2 Ų31.222%0.21717%0.167CC..Hα-helixtrans-64-17.7-177.676.30000114.8E466 P561 L562 L563 V567E466-S565 PolarHBondContact OE2-N 3.41Å; P561-S565 PolarHBondContact O-N 3.32Å; L562-S565 PolarHBondContact O-N 2.86Å; L562-S565 PolarHBondContact O-OG 3.07Å; L563-S565 VanDerWaalsContact C-N 3.3Å; L563-S565 PolarHBondContact O-N 3.31Å; S565-V567 VanDerWaalsContact C-N 3.32Å
566L94.9Very high91.7Very high2 Ų233.3 Ų33.31%0.0119%0.191CC..THydrogen-bonded Turntrans-82-10.3178.3-56.9179.4000113A417 C420 M421 L428 I456 L563 S564A417-L566 HydrophobicContact CB-CD1 4.17Å; C420-L566 HydrophobicContact CB-CD1 4.47Å; M421-L566 HydrophobicContact CG-CD1 4.34Å; M421-L566 HydrophobicContact CG-CD2 4.11Å; M421-L566 HydrophobicContact SD-CD2 4.29Å; L428-L566 HydrophobicContact CD2-CD1 4.22Å; L428-L566 HydrophobicContact CD2-CD2 4.01Å; I456-L566 HydrophobicContact CD1-CB 4Å; I456-L566 HydrophobicContact CD1-CD1 3.88Å; L563-L566 HydrophobicContact CD1-CD1 4.5Å; L563-L566 PolarHBondContact O-N 3.03Å; S564-L566 PolarHBondContact O-N 3.36Å; S564-L566 VanDerWaalsContact O-N 3.1Å
567V95.4Very high92.3Very high3 Ų332.3 Ų32.32%0.01819%0.187CC..  trans-90.6126-178.5-177.40000110.3I456 S564 S565 H571I456-V567 HydrophobicContact CG2-CG2 4.28Å; S564-V567 PolarHBondContact O-N 3.47Å; S564-V567 VanDerWaalsContact O-N 3.08Å; S565-V567 VanDerWaalsContact C-N 3.32Å; V567-H571 HydrophobicContact CG1-CB 4.03Å
568N94.6Very high93Very high2 Ų228.6 Ų28.61%0.01116%0.162CC..  trans-130.9-91.9-179.94651.3000113.6L429 P432 L438 T570L429-N568 PolarHBondContact O-ND2 3.41Å; P432-N568 HydrophobicContact CG-CB 4.27Å; L438-N568 HydrophobicContact CD1-CB 4.25Å; L438-N568 HydrophobicContact CD2-CB 4.37Å; N568-T570 VanDerWaalsContact C-N 3.26Å; N568-T570 PolarHBondContact O-N 3.13Å
569Y97.2Very high93.5Very high4 Ų430 Ų302%0.01617%0.17CC..THydrogen-bonded Turntrans-79.6-5.6-172.5-59.5-64.7000114.4L429 L433 N436 L438 L444 P445 L455 F588 M617L429-Y569 HydrophobicContact CD2-CD2 3.69Å; L429-Y569 HydrophobicContact CD2-CE2 3.8Å; L433-Y569 WeakPolarHBondContact CB-OH 3.45Å; L433-Y569 HydrophobicContact CG-CE2 4.4Å; L433-Y569 PolarHBondContact N-OH 2.83Å; N436-Y569 HydrophobicContact CB-CE1 4.03Å; N436-Y569 WeakPolarHBondContact CB-OH 3.28Å; N436-Y569 VanDerWaalsContact O-CE1 3.23Å; N436-Y569 WeakPolarHBondContact O-CE1 3.33Å; N436-Y569 PolarHBondContact O-OH 3.42Å; L438-Y569 HydrophobicContact CD2-CD1 3.81Å; L438-Y569 HydrophobicContact CD2-CE1 3.83Å; L444-Y569 HydrophobicContact CD2-CD1 4.2Å; L444-Y569 HydrophobicContact CD2-CG 4.43Å; L444-Y569 WeakPolarHBondContact CD2-O 3.24Å; P445-Y569 HydrophobicContact CG-CD1 4.13Å; P445-Y569 HydrophobicContact CG-CD2 3.78Å; P445-Y569 HydrophobicContact CG-CE1 4.06Å; P445-Y569 HydrophobicContact CG-CE2 3.68Å; P445-Y569 HydrophobicContact CG-CG 3.98Å; L455-Y569 HydrophobicContact CD2-CD2 4.3Å; Y569-F588 CarbonylContact C-O 3.59Å; Y569-F588 HydrophobicContact CD1-CB 4.4Å; Y569-M617 WeakPolarHBondContact O-CE 3.35Å
570T95.5Very high93.7Very high1 Ų133.4 Ų33.41%0.00619%0.19CC..THydrogen-bonded Turntrans-121.148.8179.350.10000110I401 L455 I456 K457 N568 P572 M617I401-T570 HydrophobicContact CD1-CG2 4.05Å; I401-T570 HydrophobicContact CG1-CG2 4.21Å; I401-T570 HydrophobicContact CG2-CG2 3.99Å; L455-T570 HydrophobicContact CB-CG2 4.32Å; L455-T570 HydrophobicContact CD2-CG2 4.02Å; I456-T570 PolarHBondContact O-OG1 3.22Å; K457-T570 WeakPolarHBondContact CA-O 3.4Å; N568-T570 VanDerWaalsContact C-N 3.26Å; N568-T570 PolarHBondContact O-N 3.13Å; T570-P572 WeakPolarHBondContact O-CD 3.47Å; T570-M617 HydrophobicContact CG2-CE 3.86Å
571H94.8Very high93.8Very high22 Ų2233.9 Ų33.910%0.10220%0.195CC..EExtended strand (participates in β ladder)trans-83.6106.4-177-177.5-176.1000110.5R460 V567 V573 F588 Y589 M590R460-H571 WeakPolarHBondContact CB-NE2 2.97Å; V567-H571 HydrophobicContact CG1-CB 4.03Å; H571-V573 PolarHBondContact O-N 2.92Å; H571-F588 HydrophobicContact CB-CD2 4.46Å; H571-F588 PolarHBondContact N-O 3.01Å; H571-F588 VanDerWaalsContact N-O 3.15Å; H571-Y589 HydrophobicContact CB-CD1 4.2Å; H571-Y589 AromaticContact CE1-CE1 3.7Å; H571-Y589 AromaticContact ND1-CD1 3.64Å; H571-Y589 AromaticContact ND1-CE1 3.33Å; H571-Y589 VanDerWaalsContact ND1-CE1 3.33Å; H571-Y589 WeakPolarHBondContact ND1-CE1 2.77Å; H571-Y589 WeakPolarHBondContact O-CA 3.44Å; H571-M590 PolarHBondContact O-N 3.34Å
572P93.5Very high94Very high28 Ų2838.9 Ų38.918%0.18222%0.219CC..EExtended strand (participates in β ladder)trans-72125.6178.331.2-34000111.2K457 S458 T570 M590K457-P572 HydrophobicContact CG-CB 4.35Å; K457-P572 HydrophobicContact CG-CG 4.09Å; S458-P572 WeakPolarHBondContact O-CD 3.45Å; S458-P572 WeakPolarHBondContact O-CG 3.32Å; T570-P572 WeakPolarHBondContact O-CD 3.47Å; P572-M590 CarbonylContact C-O 3.53Å; P572-M590 VanDerWaalsContact CA-O 3.31Å; P572-M590 WeakPolarHBondContact CA-O 3.2Å; P572-M590 HydrophobicContact CB-SD 3.76Å
573V92.9Very high94.2Very high47 Ų4746.1 Ų46.129%0.28525%0.252SS..  trans-119.6151174.4-61.40000111.1H571 F575 Y589 M590 S591H571-V573 PolarHBondContact O-N 2.92Å; V573-F575 PolarHBondContact O-N 3.32Å; V573-Y589 HydrophobicContact CG1-CD1 3.66Å; V573-Y589 HydrophobicContact CG1-CD2 4.1Å; V573-Y589 HydrophobicContact CG1-CE1 3.97Å; V573-Y589 HydrophobicContact CG1-CE2 4.4Å; V573-Y589 HydrophobicContact CG1-CG 3.74Å; V573-Y589 HydrophobicContact CG2-CD2 4.38Å; V573-Y589 HydrophobicContact CG2-CG 4.19Å; V573-M590 PolarHBondContact N-O 2.75Å; V573-S591 PolarHBondContact O-OG 3.44Å
574K90.7Very high94.3Very high208 Ų20848.2 Ų48.290%0.90427%0.269SS*.  trans-63.7126.4169.6-171.2178.7-179.3-177.10107.8G576K574-G576 PolarHBondContact O-N 2.84Å
575F94.2Very high94.4Very high34 Ų3450.1 Ų50.115%0.14928%0.28CS..  trans-74.9117-177.1-174.3-106.1000110.2V573 G577 F578 A581 F593 Y601 Y612V573-F575 PolarHBondContact O-N 3.32Å; F575-G577 VanDerWaalsContact CZ-C 3.44Å; F575-F578 HydrophobicContact CE1-CE1 4.5Å; F575-F578 HydrophobicContact CE1-CE2 4.47Å; F575-F578 HydrophobicContact CE1-CZ 4.42Å; F575-F578 HydrophobicContact CE2-CD1 4.12Å; F575-F578 HydrophobicContact CE2-CE1 4.22Å; F575-F578 HydrophobicContact CZ-CB 4.49Å; F575-F578 AromaticContact CZ-CD1 3.54Å; F575-F578 HydrophobicContact CZ-CD1 3.54Å; F575-F578 HydrophobicContact CZ-CD2 4.13Å; F575-F578 AromaticContact CZ-CE1 3.6Å; F575-F578 HydrophobicContact CZ-CE1 3.6Å; F575-F578 HydrophobicContact CZ-CE2 4.2Å; F575-F578 AromaticContact CZ-CG 3.81Å; F575-F578 HydrophobicContact CZ-CG 3.81Å; F575-F578 AromaticContact CZ-CZ 3.94Å; F575-F578 HydrophobicContact CZ-CZ 3.94Å; F575-A581 HydrophobicContact CE2-CB 4.48Å; F575-F593 HydrophobicContact CB-CE1 3.65Å; F575-F593 HydrophobicContact CB-CZ 3.99Å; F575-F593 AromaticContact CD1-CE1 3.92Å; F575-F593 HydrophobicContact CD1-CE1 3.92Å; F575-F593 AromaticContact CD1-CZ 3.94Å; F575-F593 HydrophobicContact CD1-CZ 3.94Å; F575-F593 HydrophobicContact CD2-CE1 4.32Å; F575-F593 AromaticContact CD2-CZ 3.79Å; F575-F593 HydrophobicContact CD2-CZ 3.79Å; F575-F593 HydrophobicContact CE1-CZ 4.35Å; F575-F593 HydrophobicContact CE2-CZ 4.23Å; F575-F593 AromaticContact CG-CE1 3.71Å; F575-F593 HydrophobicContact CG-CE1 3.71Å; F575-F593 AromaticContact CG-CZ 3.63Å; F575-F593 HydrophobicContact CG-CZ 3.63Å; F575-F593 HydrophobicContact CZ-CZ 4.48Å; F575-Y601 HydrophobicContact CD1-CE2 4.18Å; F575-Y601 AromaticContact CD1-CZ 3.77Å; F575-Y601 VanDerWaalsContact CD1-OH 3.3Å; F575-Y601 WeakPolarHBondContact CD1-OH 3.41Å; F575-Y601 AromaticContact CE1-CE1 3.98Å; F575-Y601 HydrophobicContact CE1-CE1 3.98Å; F575-Y601 HydrophobicContact CE1-CE2 4.17Å; F575-Y601 AromaticContact CE1-CZ 3.65Å; F575-Y612 HydrophobicContact CD2-CE2 4.28Å; F575-Y612 HydrophobicContact CE2-CD2 4.11Å; F575-Y612 AromaticContact CE2-CE2 3.77Å; F575-Y612 HydrophobicContact CE2-CE2 3.77Å
576G90.7Very high94.5Very high61 Ų6149.2 Ų49.263%0.62927%0.273SS*.  trans-92.5-15.4-179.100000114.8K574K574-G576 PolarHBondContact O-N 2.84Å
577G94.3Very high94.6Very high14 Ų1450.2 Ų50.214%0.14428%0.278CS..  trans141.8156.8-171.600000111F575 A581F575-G577 VanDerWaalsContact CZ-C 3.44Å; G577-A581 WeakPolarHBondContact O-CB 3.37Å; G577-A581 PolarHBondContact O-N 3.38Å; G577-A581 VanDerWaalsContact O-N 3.1Å
578F96Very high94.6Very high27 Ų2750.9 Ų50.912%0.11828%0.28CS..Hα-helixtrans-69.2-38.3178-69.9-66.6000112F575 A581 E582 Y601 E608 L609 Y612F575-F578 HydrophobicContact CE1-CE1 4.5Å; F575-F578 HydrophobicContact CE1-CE2 4.47Å; F575-F578 HydrophobicContact CE1-CZ 4.42Å; F575-F578 HydrophobicContact CE2-CD1 4.12Å; F575-F578 HydrophobicContact CE2-CE1 4.22Å; F575-F578 HydrophobicContact CZ-CB 4.49Å; F575-F578 AromaticContact CZ-CD1 3.54Å; F575-F578 HydrophobicContact CZ-CD1 3.54Å; F575-F578 HydrophobicContact CZ-CD2 4.13Å; F575-F578 AromaticContact CZ-CE1 3.6Å; F575-F578 HydrophobicContact CZ-CE1 3.6Å; F575-F578 HydrophobicContact CZ-CE2 4.2Å; F575-F578 AromaticContact CZ-CG 3.81Å; F575-F578 HydrophobicContact CZ-CG 3.81Å; F575-F578 AromaticContact CZ-CZ 3.94Å; F575-F578 HydrophobicContact CZ-CZ 3.94Å; F578-A581 PolarHBondContact O-N 3.26Å; F578-E582 VanDerWaalsContact O-CB 3.32Å; F578-E582 WeakPolarHBondContact O-CB 3.47Å; F578-E582 PolarHBondContact O-N 2.8Å; F578-Y601 AromaticContact CE2-CD1 3.77Å; F578-Y601 HydrophobicContact CE2-CD1 3.77Å; F578-Y601 HydrophobicContact CE2-CE1 4.34Å; F578-Y601 HydrophobicContact CE2-CG 4.21Å; F578-Y601 HydrophobicContact CZ-CD1 4.13Å; F578-Y601 HydrophobicContact CZ-CG 4.11Å; F578-E608 HydrophobicContact CB-CB 3.98Å; F578-E608 HydrophobicContact CD1-CB 4.18Å; F578-E608 HydrophobicContact CD2-CB 3.64Å; F578-E608 HydrophobicContact CD2-CG 4.48Å; F578-E608 HydrophobicContact CE2-CB 4.16Å; F578-E608 HydrophobicContact CG-CB 3.66Å; F578-L609 HydrophobicContact CE1-CB 4.04Å; F578-L609 HydrophobicContact CE1-CD1 3.84Å; F578-L609 HydrophobicContact CZ-CB 3.81Å; F578-L609 HydrophobicContact CZ-CD1 3.94Å; F578-L609 HydrophobicContact CZ-CG 4.44Å; F578-Y612 HydrophobicContact CD1-CD2 4.12Å; F578-Y612 HydrophobicContact CD1-CG 4.14Å; F578-Y612 HydrophobicContact CE1-CD2 4.44Å; F578-Y612 HydrophobicContact CE1-CG 4.15Å
579D96Very high94.7Very high115 Ų11554.2 Ų54.262%0.61529%0.293SS*.Hα-helixtrans-60.5-49.3172.755.1-26.2000111.8A581 E582 E583D579-A581 VanDerWaalsContact C-N 3.32Å; D579-A581 PolarHBondContact O-N 2.7Å; D579-E582 PolarHBondContact O-N 2.96Å; D579-E583 PolarHBondContact O-N 3.03Å
580V95.5Very high94.7Very high75 Ų7554.1 Ų54.146%0.45529%0.293SS..Hα-helixtrans-61.5-41.8177.7-178.30000111.3A584V580-A584 WeakPolarHBondContact O-CB 2.99Å; V580-A584 PolarHBondContact O-N 3.3Å
581A94.9Very high94.7Very high15 Ų1554.1 Ų54.112%0.12429%0.293CS..Hα-helixtrans-68.8-34.8178.200000112.7F575 G577 F578 D579 D585 Y612F575-A581 HydrophobicContact CE2-CB 4.48Å; G577-A581 WeakPolarHBondContact O-CB 3.37Å; G577-A581 PolarHBondContact O-N 3.38Å; G577-A581 VanDerWaalsContact O-N 3.1Å; F578-A581 PolarHBondContact O-N 3.26Å; D579-A581 VanDerWaalsContact C-N 3.32Å; D579-A581 PolarHBondContact O-N 2.7Å; A581-D585 PolarHBondContact O-N 3.45Å; A581-Y612 HydrophobicContact CB-CD2 3.98Å; A581-Y612 HydrophobicContact CB-CE2 3.8Å
582E94Very high94.8Very high106 Ų10654.9 Ų54.950%0.49530%0.301SS..Hα-helixtrans-69-42.6175-179.3151.7-110.600112.2F578 D579 D585 R615F578-E582 VanDerWaalsContact O-CB 3.32Å; F578-E582 WeakPolarHBondContact O-CB 3.47Å; F578-E582 PolarHBondContact O-N 2.8Å; D579-E582 PolarHBondContact O-N 2.96Å; E582-D585 PolarHBondContact O-N 2.89Å; E582-R615 IonicContact OE1-CZ 3.53Å; E582-R615 IonicContact OE1-NH1 3.44Å; E582-R615 PolarHBondContact OE1-NH1 3.13Å; E582-R615 IonicContact OE1-NH2 2.75Å; E582-R615 PolarHBondContact OE1-NH2 3.12Å
583E95.5Very high94.9Very high174 Ų17454.1 Ų54.181%0.81329%0.294SS*.Hα-helixtrans-65-40.1176.5-174.3174.8-168.800112.1D579 D585D579-E583 PolarHBondContact O-N 3.03Å; E583-D585 VanDerWaalsContact C-N 3.32Å; E583-D585 PolarHBondContact O-N 2.98Å
584A93.7Very high94.9Very high44 Ų4452 Ų5236%0.36428%0.282SS..Hα-helixtrans-67.9-30177.900000113.4V580 C586V580-A584 WeakPolarHBondContact O-CB 2.99Å; V580-A584 PolarHBondContact O-N 3.3Å; A584-C586 PolarHBondContact O-N 3.29Å; A584-C586 PolarHBondContact O-SG 3.07Å; A584-C586 VanDerWaalsContact O-SG 3.36Å
585D94.8Very high95.1Very high40 Ų4043 Ų4321%0.21424%0.243CC..  trans45.132.9179.7-162.530.5000115.2P440 S441 A581 E582 E583 H587P440-D585 CarbonylContact C-O 3.55Å; P440-D585 WeakPolarHBondContact CA-O 3.2Å; S441-D585 WeakPolarHBondContact CA-OD2 3.32Å; S441-D585 WeakPolarHBondContact CB-OD2 3.36Å; S441-D585 PolarHBondContact N-O 3.27Å; S441-D585 PolarHBondContact N-OD2 3.42Å; S441-D585 PolarHBondContact OG-OD2 2.94Å; A581-D585 PolarHBondContact O-N 3.45Å; E582-D585 PolarHBondContact O-N 2.89Å; E583-D585 VanDerWaalsContact C-N 3.32Å; E583-D585 PolarHBondContact O-N 2.98Å; D585-H587 PolarHBondContact O-CD2 3.18Å; D585-H587 PolarHBondContact O-N 3.16Å; D585-H587 IonicContact OD1-CD2 3.78Å; D585-H587 PolarHBondContact OD1-CD2 3.08Å; D585-H587 IonicContact OD1-NE2 3.82Å; D585-H587 PolarHBondContact OD1-NE2 3.1Å
586C95.6Very high95Very high12 Ų1243.6 Ų43.68%0.08125%0.252CS..  trans-92.493.4179.9-76.70000111A584 F588 Y589 Q616A584-C586 PolarHBondContact O-N 3.29Å; A584-C586 PolarHBondContact O-SG 3.07Å; A584-C586 VanDerWaalsContact O-SG 3.36Å; C586-F588 HydrophobicContact CB-CD1 4.41Å; C586-F588 HydrophobicContact CB-CE1 3.88Å; C586-F588 HydrophobicContact CB-CZ 4.01Å; C586-F588 PolarHBondContact O-N 3.28Å; C586-F588 VanDerWaalsContact O-N 3.16Å; C586-Y589 HydrophobicContact CB-CD1 4.42Å; C586-Y589 HydrophobicContact CB-CD2 3.39Å; C586-Y589 HydrophobicContact CB-CE2 3.64Å; C586-Y589 HydrophobicContact CB-CG 3.81Å; C586-Y589 WeakPolarHBondContact O-CB 2.77Å; C586-Y589 PolarHBondContact O-N 3.11Å; C586-Q616 PolarHBondContact O-NE2 2.76Å
587H96.6Very high95.2Very high23 Ų2343 Ų4311%0.10624%0.236CC..THydrogen-bonded Turntrans-67.6-21.2-171.1-64.2-157.6000113.9C442 L444 D585 Y589 R615C442-H587 WeakPolarHBondContact O-CB 3.48Å; L444-H587 WeakPolarHBondContact CD2-O 3.16Å; L444-H587 HydrophobicContact CG-CB 4.35Å; D585-H587 PolarHBondContact O-CD2 3.18Å; D585-H587 PolarHBondContact O-N 3.16Å; D585-H587 IonicContact OD1-CD2 3.78Å; D585-H587 PolarHBondContact OD1-CD2 3.08Å; D585-H587 IonicContact OD1-NE2 3.82Å; D585-H587 PolarHBondContact OD1-NE2 3.1Å; H587-Y589 VanDerWaalsContact C-N 3.27Å; H587-R615 WeakPolarHBondContact CB-O 3.42Å
588F95.8Very high95.2Very high16 Ų1642.4 Ų42.47%0.0723%0.229CC..THydrogen-bonded Turntrans-77-10.6174.861-88.8000113.7L438 Y569 H571 C586L438-F588 HydrophobicContact CB-CD1 4.22Å; L438-F588 HydrophobicContact CB-CE1 4.16Å; L438-F588 HydrophobicContact CB-CE2 4.42Å; L438-F588 HydrophobicContact CB-CG 4.41Å; L438-F588 HydrophobicContact CB-CZ 4.26Å; L438-F588 HydrophobicContact CD2-CB 3.79Å; L438-F588 HydrophobicContact CD2-CD1 4.2Å; L438-F588 HydrophobicContact CD2-CD2 4.17Å; L438-F588 HydrophobicContact CD2-CG 3.8Å; Y569-F588 CarbonylContact C-O 3.59Å; Y569-F588 HydrophobicContact CD1-CB 4.4Å; H571-F588 HydrophobicContact CB-CD2 4.46Å; H571-F588 PolarHBondContact N-O 3.01Å; H571-F588 VanDerWaalsContact N-O 3.15Å; C586-F588 HydrophobicContact CB-CD1 4.41Å; C586-F588 HydrophobicContact CB-CE1 3.88Å; C586-F588 HydrophobicContact CB-CZ 4.01Å; C586-F588 PolarHBondContact O-N 3.28Å; C586-F588 VanDerWaalsContact O-N 3.16Å
589Y96.6Very high95.1Very high73 Ų7344.5 Ų44.529%0.28624%0.241SC..EExtended strand (participates in β ladder)trans-76.8143.1167.8-68.3-16.9000110.6H571 V573 C586 H587 Q616H571-Y589 HydrophobicContact CB-CD1 4.2Å; H571-Y589 AromaticContact CE1-CE1 3.7Å; H571-Y589 AromaticContact ND1-CD1 3.64Å; H571-Y589 AromaticContact ND1-CE1 3.33Å; H571-Y589 VanDerWaalsContact ND1-CE1 3.33Å; H571-Y589 WeakPolarHBondContact ND1-CE1 2.77Å; H571-Y589 WeakPolarHBondContact O-CA 3.44Å; V573-Y589 HydrophobicContact CG1-CD1 3.66Å; V573-Y589 HydrophobicContact CG1-CD2 4.1Å; V573-Y589 HydrophobicContact CG1-CE1 3.97Å; V573-Y589 HydrophobicContact CG1-CE2 4.4Å; V573-Y589 HydrophobicContact CG1-CG 3.74Å; V573-Y589 HydrophobicContact CG2-CD2 4.38Å; V573-Y589 HydrophobicContact CG2-CG 4.19Å; C586-Y589 HydrophobicContact CB-CD1 4.42Å; C586-Y589 HydrophobicContact CB-CD2 3.39Å; C586-Y589 HydrophobicContact CB-CE2 3.64Å; C586-Y589 HydrophobicContact CB-CG 3.81Å; C586-Y589 WeakPolarHBondContact O-CB 2.77Å; C586-Y589 PolarHBondContact O-N 3.11Å; H587-Y589 VanDerWaalsContact C-N 3.27Å; Y589-Q616 WeakPolarHBondContact O-CG 3.34Å
590M96.7Very high95.1Very high1 Ų140.6 Ų40.61%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-141157.51776879.264.900110.2K457 H571 P572 V573 M617 R619 M644K457-M590 HydrophobicContact CD-CE 3.83Å; K457-M590 HydrophobicContact CD-SD 3.87Å; K457-M590 HydrophobicContact CG-SD 4.27Å; H571-M590 PolarHBondContact O-N 3.34Å; P572-M590 CarbonylContact C-O 3.53Å; P572-M590 VanDerWaalsContact CA-O 3.31Å; P572-M590 WeakPolarHBondContact CA-O 3.2Å; P572-M590 HydrophobicContact CB-SD 3.76Å; V573-M590 PolarHBondContact N-O 2.75Å; M590-M617 WeakPolarHBondContact CA-O 3.48Å; M590-M617 HydrophobicContact CB-CB 4.07Å; M590-M617 WeakPolarHBondContact CB-O 3.41Å; M590-R619 HydrophobicContact CE-CB 3.83Å; M590-M644 HydrophobicContact CE-CE 3.41Å; M590-M644 VanDerWaalsContact CE-CE 3.41Å; M590-M644 HydrophobicContact CE-SD 4.48Å
591S96.4Very high95Very high2 Ų240 Ų401%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-126.7147.2177.5-66.30000111V573 Y612 M617 T618 R619V573-S591 PolarHBondContact O-OG 3.44Å; S591-Y612 PolarHBondContact N-OH 3.17Å; S591-Y612 PolarHBondContact OG-OH 3.01Å; S591-M617 PolarHBondContact N-O 3.38Å; S591-T618 WeakPolarHBondContact O-CA 3.4Å; S591-R619 PolarHBondContact O-N 2.92Å
592S95.8Very high94.9Very high37 Ų3739.7 Ų39.726%0.25922%0.215SC..EExtended strand (participates in β ladder)trans-114.2129.2176.1-57.40000109.1K457 R619K457-S592 WeakPolarHBondContact CE-OG 3.5Å; S592-R619 CarbonylContact C-O 3.5Å; S592-R619 VanDerWaalsContact CA-O 3.27Å; S592-R619 WeakPolarHBondContact CA-O 3.48Å
593F95.5Very high94.8Very high12 Ų1243.5 Ų43.55%0.05323%0.23CC..EExtended strand (participates in β ladder)trans-122.6140.8-179.9-53.5-58.2000110.7F575 T597 Y601 T618 R619 I620 Y621F575-F593 HydrophobicContact CB-CE1 3.65Å; F575-F593 HydrophobicContact CB-CZ 3.99Å; F575-F593 AromaticContact CD1-CE1 3.92Å; F575-F593 HydrophobicContact CD1-CE1 3.92Å; F575-F593 AromaticContact CD1-CZ 3.94Å; F575-F593 HydrophobicContact CD1-CZ 3.94Å; F575-F593 HydrophobicContact CD2-CE1 4.32Å; F575-F593 AromaticContact CD2-CZ 3.79Å; F575-F593 HydrophobicContact CD2-CZ 3.79Å; F575-F593 HydrophobicContact CE1-CZ 4.35Å; F575-F593 HydrophobicContact CE2-CZ 4.23Å; F575-F593 AromaticContact CG-CE1 3.71Å; F575-F593 HydrophobicContact CG-CE1 3.71Å; F575-F593 AromaticContact CG-CZ 3.63Å; F575-F593 HydrophobicContact CG-CZ 3.63Å; F575-F593 HydrophobicContact CZ-CZ 4.48Å; F593-T597 HydrophobicContact CB-CG2 4.37Å; F593-T597 HydrophobicContact CD1-CG2 4.09Å; F593-Y601 HydrophobicContact CD1-CD2 4.45Å; F593-Y601 AromaticContact CD1-CE2 3.88Å; F593-Y601 HydrophobicContact CD1-CE2 3.88Å; F593-Y601 HydrophobicContact CD2-CD2 4.49Å; F593-Y601 HydrophobicContact CE1-CD2 4.39Å; F593-Y601 AromaticContact CE1-CE2 3.66Å; F593-Y601 HydrophobicContact CE1-CE2 3.66Å; F593-Y601 HydrophobicContact CE2-CD2 4.45Å; F593-Y601 HydrophobicContact CE2-CE2 4.46Å; F593-Y601 HydrophobicContact CG-CE2 4.37Å; F593-Y601 HydrophobicContact CZ-CD2 4.39Å; F593-Y601 AromaticContact CZ-CE2 3.97Å; F593-Y601 HydrophobicContact CZ-CE2 3.97Å; F593-T618 HydrophobicContact CD2-CG2 3.54Å; F593-T618 HydrophobicContact CE2-CG2 3.77Å; F593-R619 PolarHBondContact N-O 3.05Å; F593-I620 HydrophobicContact CB-CD1 3.89Å; F593-I620 HydrophobicContact CD2-CD1 4.02Å; F593-I620 HydrophobicContact CG-CD1 4.47Å; F593-I620 WeakPolarHBondContact O-CA 3.11Å; F593-Y621 WeakPolarHBondContact O-CD1 3.48Å; F593-Y621 WeakPolarHBondContact O-CE1 3.23Å; F593-Y621 PolarHBondContact O-N 2.76Å; F593-Y621 VanDerWaalsContact O-N 3.08Å
594S94.2Very high94.6Very high4 Ų440.1 Ų40.13%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-63.6155.6164.977.60000110.1S596 T597 G598 Y621S594-S596 PolarHBondContact O-N 2.97Å; S594-T597 PolarHBondContact O-N 3.12Å; S594-T597 VanDerWaalsContact O-N 3.08Å; S594-T597 PolarHBondContact OG-N 3.33Å; S594-T597 PolarHBondContact OG-OG1 3.45Å; S594-G598 PolarHBondContact O-N 3.08Å; S594-Y621 CarbonylContact C-O 3.59Å
595E93.8Very high94.7Very high18 Ų1839.4 Ų39.48%0.08421%0.214CC..Hα-helixtrans-47.6-45.5173.2177.6-169.2173.600111.5G598 L599 Y621 R626 Y632 F637E595-G598 PolarHBondContact O-N 3Å; E595-L599 HydrophobicContact CG-CD1 4.06Å; E595-L599 WeakPolarHBondContact O-CB 3.49Å; E595-L599 VanDerWaalsContact O-CG 3.25Å; E595-L599 WeakPolarHBondContact O-CG 3.31Å; E595-L599 PolarHBondContact O-N 3.4Å; E595-Y621 PolarHBondContact N-O 3.32Å; E595-R626 IonicContact OE1-CZ 2.72Å; E595-R626 IonicContact OE1-NE 3.12Å; E595-R626 IonicContact OE1-NH2 3.91Å; E595-R626 PolarHBondContact OE1-NH2 2.89Å; E595-R626 IonicContact OE2-CZ 3.39Å; E595-R626 IonicContact OE2-NE 2.59Å; E595-R626 PolarHBondContact OE2-NE 3.28Å; E595-R626 IonicContact OE2-NH2 3.84Å; E595-R626 PolarHBondContact OE2-NH2 3.47Å; E595-Y632 HydrophobicContact CB-CD1 4.16Å; E595-Y632 HydrophobicContact CG-CD1 4.08Å; E595-Y632 HydrophobicContact CG-CG 3.96Å; E595-Y632 WeakPolarHBondContact OE1-CB 3.39Å; E595-F637 HydrophobicContact CG-CE2 4.39Å; E595-F637 HydrophobicContact CG-CZ 4.28Å
596S93.5Very high94.6Very high47 Ų4738 Ų3833%0.32921%0.208SC..Hα-helixtrans-62.7-45.9179.6-57.50000112.2S594 L599 G600S594-S596 PolarHBondContact O-N 2.97Å; S596-L599 PolarHBondContact O-N 3.01Å; S596-G600 PolarHBondContact O-N 2.74Å
597T94.5Very high94.5Very high49 Ų4940.1 Ų40.130%0.30122%0.217SC..Hα-helixtrans-65.8-43.6178.5-49.10000111.2F593 S594 L599 G600 Y601F593-T597 HydrophobicContact CB-CG2 4.37Å; F593-T597 HydrophobicContact CD1-CG2 4.09Å; S594-T597 PolarHBondContact O-N 3.12Å; S594-T597 VanDerWaalsContact O-N 3.08Å; S594-T597 PolarHBondContact OG-N 3.33Å; S594-T597 PolarHBondContact OG-OG1 3.45Å; T597-L599 PolarHBondContact O-N 3.03Å; T597-G600 WeakPolarHBondContact O-CA 3.48Å; T597-G600 PolarHBondContact O-N 3.17Å; T597-G600 VanDerWaalsContact O-N 3.11Å; T597-Y601 HydrophobicContact CG2-CD2 4.16Å; T597-Y601 HydrophobicContact CG2-CE2 3.63Å; T597-Y601 WeakPolarHBondContact O-CD2 3.38Å; T597-Y601 PolarHBondContact O-N 3.32Å
598G94.4Very high94.5Very high0 Ų043.2 Ų43.20%023%0.232CC..Hα-helixtrans-62.3-41.2176.800000112.4S594 E595 G600 Y601 L602S594-G598 PolarHBondContact O-N 3.08Å; E595-G598 PolarHBondContact O-N 3Å; G598-G600 VanDerWaalsContact C-N 3.3Å; G598-G600 PolarHBondContact O-N 3.43Å; G598-Y601 PolarHBondContact O-N 3.27Å; G598-L602 WeakPolarHBondContact O-CB 3.37Å; G598-L602 PolarHBondContact O-N 2.91Å
599L94.2Very high94.6Very high71 Ų7142.5 Ų42.537%0.37223%0.229SC..Hα-helixtrans-63.3-37172.3-73.8170.9000111.8E595 S596 T597 L602 K603 I636 F637E595-L599 HydrophobicContact CG-CD1 4.06Å; E595-L599 WeakPolarHBondContact O-CB 3.49Å; E595-L599 VanDerWaalsContact O-CG 3.25Å; E595-L599 WeakPolarHBondContact O-CG 3.31Å; E595-L599 PolarHBondContact O-N 3.4Å; S596-L599 PolarHBondContact O-N 3.01Å; T597-L599 PolarHBondContact O-N 3.03Å; L599-L602 PolarHBondContact O-N 3.41Å; L599-K603 WeakPolarHBondContact O-CB 3.39Å; L599-K603 PolarHBondContact O-N 3.29Å; L599-I636 HydrophobicContact CD2-CG2 3.99Å; L599-F637 HydrophobicContact CD2-CZ 4.2Å; L599-F637 HydrophobicContact CG-CE1 4.5Å; L599-F637 HydrophobicContact CG-CZ 4Å
600G94.2Very high94.6Very high34 Ų3439 Ų3935%0.35122%0.215SC..Hα-helixtrans-57.7-48.4172.700000112.5S596 T597 G598 K603 T604S596-G600 PolarHBondContact O-N 2.74Å; T597-G600 WeakPolarHBondContact O-CA 3.48Å; T597-G600 PolarHBondContact O-N 3.17Å; T597-G600 VanDerWaalsContact O-N 3.11Å; G598-G600 VanDerWaalsContact C-N 3.3Å; G598-G600 PolarHBondContact O-N 3.43Å; G600-K603 PolarHBondContact O-N 3.34Å; G600-T604 PolarHBondContact O-N 3.41Å; G600-T604 VanDerWaalsContact O-N 3.09Å; G600-T604 PolarHBondContact O-OG1 3.3Å
601Y94.9Very high94.5Very high62 Ų6240.9 Ų40.924%0.24323%0.225CC..Hα-helixtrans-67.7-40176-69-52.2000112.9F575 F578 F593 T597 G598 K603 T604 S605 A606F575-Y601 HydrophobicContact CD1-CE2 4.18Å; F575-Y601 AromaticContact CD1-CZ 3.77Å; F575-Y601 VanDerWaalsContact CD1-OH 3.3Å; F575-Y601 WeakPolarHBondContact CD1-OH 3.41Å; F575-Y601 AromaticContact CE1-CE1 3.98Å; F575-Y601 HydrophobicContact CE1-CE1 3.98Å; F575-Y601 HydrophobicContact CE1-CE2 4.17Å; F575-Y601 AromaticContact CE1-CZ 3.65Å; F578-Y601 AromaticContact CE2-CD1 3.77Å; F578-Y601 HydrophobicContact CE2-CD1 3.77Å; F578-Y601 HydrophobicContact CE2-CE1 4.34Å; F578-Y601 HydrophobicContact CE2-CG 4.21Å; F578-Y601 HydrophobicContact CZ-CD1 4.13Å; F578-Y601 HydrophobicContact CZ-CG 4.11Å; F593-Y601 HydrophobicContact CD1-CD2 4.45Å; F593-Y601 AromaticContact CD1-CE2 3.88Å; F593-Y601 HydrophobicContact CD1-CE2 3.88Å; F593-Y601 HydrophobicContact CD2-CD2 4.49Å; F593-Y601 HydrophobicContact CE1-CD2 4.39Å; F593-Y601 AromaticContact CE1-CE2 3.66Å; F593-Y601 HydrophobicContact CE1-CE2 3.66Å; F593-Y601 HydrophobicContact CE2-CD2 4.45Å; F593-Y601 HydrophobicContact CE2-CE2 4.46Å; F593-Y601 HydrophobicContact CG-CE2 4.37Å; F593-Y601 HydrophobicContact CZ-CD2 4.39Å; F593-Y601 AromaticContact CZ-CE2 3.97Å; F593-Y601 HydrophobicContact CZ-CE2 3.97Å; T597-Y601 HydrophobicContact CG2-CD2 4.16Å; T597-Y601 HydrophobicContact CG2-CE2 3.63Å; T597-Y601 WeakPolarHBondContact O-CD2 3.38Å; T597-Y601 PolarHBondContact O-N 3.32Å; G598-Y601 PolarHBondContact O-N 3.27Å; Y601-K603 PolarHBondContact O-N 3.03Å; Y601-T604 PolarHBondContact O-N 2.92Å; Y601-S605 CarbonylContact O-C 3.49Å; Y601-S605 WeakPolarHBondContact O-CA 3.35Å; Y601-S605 PolarHBondContact O-N 2.64Å; Y601-A606 PolarHBondContact O-N 3.12Å
602L92.3Very high94.5Very high8 Ų841 Ų414%0.04223%0.225CC..Hα-helixtrans-59.4-35.6172.6-87.9168000112.4G598 L599 A606 L609 I636 F637 A640 F688G598-L602 WeakPolarHBondContact O-CB 3.37Å; G598-L602 PolarHBondContact O-N 2.91Å; L599-L602 PolarHBondContact O-N 3.41Å; L602-A606 HydrophobicContact CD2-CB 4.46Å; L602-A606 WeakPolarHBondContact O-CB 3.42Å; L602-L609 HydrophobicContact CD2-CD2 4.31Å; L602-L609 HydrophobicContact CG-CD2 4.05Å; L602-I636 HydrophobicContact CD1-CG2 3.55Å; L602-F637 HydrophobicContact CD1-CD1 3.65Å; L602-F637 HydrophobicContact CD1-CE1 3.71Å; L602-A640 HydrophobicContact CD2-CB 3.62Å; L602-A640 HydrophobicContact CG-CB 4.45Å; L602-F688 HydrophobicContact CD2-CE2 4.3Å; L602-F688 WeakPolarHBondContact O-CE2 3.42Å
603K91Very high94.6Very high186 Ų18639.2 Ų39.281%0.80921%0.213SC*.Hα-helixtrans-74-35179.2-177.6179.1177.1-176.70112.8L599 G600 Y601L599-K603 WeakPolarHBondContact O-CB 3.39Å; L599-K603 PolarHBondContact O-N 3.29Å; G600-K603 PolarHBondContact O-N 3.34Å; Y601-K603 PolarHBondContact O-N 3.03Å
604T93Very high94.7Very high103 Ų10339.1 Ų39.163%0.63221%0.213SC*.Hα-helixtrans-105-29.1-169.351.50000114G600 Y601G600-T604 PolarHBondContact O-N 3.41Å; G600-T604 VanDerWaalsContact O-N 3.09Å; G600-T604 PolarHBondContact O-OG1 3.3Å; Y601-T604 PolarHBondContact O-N 2.92Å
605S94.2Very high94.8Very high30 Ų3041.5 Ų41.521%0.2122%0.221CC..  trans-152.652.3-168.8-54.10000111.8Y601 I607 E608 L609Y601-S605 CarbonylContact O-C 3.49Å; Y601-S605 WeakPolarHBondContact O-CA 3.35Å; Y601-S605 PolarHBondContact O-N 2.64Å; S605-I607 PolarHBondContact O-N 3.07Å; S605-E608 WeakPolarHBondContact CA-OE2 3.3Å; S605-E608 WeakPolarHBondContact CB-OE2 3.32Å; S605-L609 PolarHBondContact O-N 3.05Å; S605-L609 VanDerWaalsContact O-N 3.08Å
606A93.7Very high95Very high11 Ų1140.9 Ų40.99%0.09122%0.218CC..Hα-helixtrans-63.1-40.6-176.700000113.4Y601 L602 L609 V610 P687 F688Y601-A606 PolarHBondContact O-N 3.12Å; L602-A606 HydrophobicContact CD2-CB 4.46Å; L602-A606 WeakPolarHBondContact O-CB 3.42Å; A606-L609 PolarHBondContact O-N 3.41Å; A606-V610 WeakPolarHBondContact O-CG2 3.25Å; A606-V610 PolarHBondContact O-N 2.73Å; A606-P687 HydrophobicContact CB-CG 3.8Å; A606-F688 HydrophobicContact CB-CD2 3.99Å; A606-F688 HydrophobicContact CB-CE2 3.81Å
607I94.1Very high95.2Very high55 Ų5538.7 Ų38.728%0.28220%0.203SC..Hα-helixtrans-69-42.3-176.6-62.7172.7000109.8S605 L609 V610 N611 I684 D686S605-I607 PolarHBondContact O-N 3.07Å; I607-L609 VanDerWaalsContact C-N 3.32Å; I607-L609 PolarHBondContact O-N 2.85Å; I607-V610 PolarHBondContact O-N 2.81Å; I607-N611 PolarHBondContact O-N 3.2Å; I607-N611 PolarHBondContact O-ND2 3Å; I607-I684 HydrophobicContact CG2-CG2 3.58Å; I607-D686 HydrophobicContact CD1-CB 4.09Å; I607-D686 HydrophobicContact CG1-CB 3.99Å
608E96.2Very high95.4Very high88 Ų8836.3 Ų36.341%0.41119%0.188SC..Hα-helixtrans-62.3-41.6175.7-62.381.2175.100110.7F578 S605 V610 N611 Y612F578-E608 HydrophobicContact CB-CB 3.98Å; F578-E608 HydrophobicContact CD1-CB 4.18Å; F578-E608 HydrophobicContact CD2-CB 3.64Å; F578-E608 HydrophobicContact CD2-CG 4.48Å; F578-E608 HydrophobicContact CE2-CB 4.16Å; F578-E608 HydrophobicContact CG-CB 3.66Å; S605-E608 WeakPolarHBondContact CA-OE2 3.3Å; S605-E608 WeakPolarHBondContact CB-OE2 3.32Å; E608-V610 PolarHBondContact O-N 2.86Å; E608-N611 PolarHBondContact O-N 3.09Å; E608-Y612 WeakPolarHBondContact O-CB 3.31Å; E608-Y612 PolarHBondContact O-N 2.91Å
609L96.8Very high95.6Very high1 Ų136.6 Ų36.61%0.00519%0.189CC..Hα-helixtrans-62.8-41.6175.1-176.660.4000112.4F578 L602 S605 A606 I607 N611 Y612 N613 A640F578-L609 HydrophobicContact CE1-CB 4.04Å; F578-L609 HydrophobicContact CE1-CD1 3.84Å; F578-L609 HydrophobicContact CZ-CB 3.81Å; F578-L609 HydrophobicContact CZ-CD1 3.94Å; F578-L609 HydrophobicContact CZ-CG 4.44Å; L602-L609 HydrophobicContact CD2-CD2 4.31Å; L602-L609 HydrophobicContact CG-CD2 4.05Å; S605-L609 PolarHBondContact O-N 3.05Å; S605-L609 VanDerWaalsContact O-N 3.08Å; A606-L609 PolarHBondContact O-N 3.41Å; I607-L609 VanDerWaalsContact C-N 3.32Å; I607-L609 PolarHBondContact O-N 2.85Å; L609-N611 VanDerWaalsContact C-N 3.35Å; L609-Y612 PolarHBondContact O-N 2.81Å; L609-N613 WeakPolarHBondContact O-CB 3.41Å; L609-N613 PolarHBondContact O-N 3Å; L609-N613 PolarHBondContact O-ND2 3.28Å; L609-N613 VanDerWaalsContact O-ND2 3.08Å; L609-A640 HydrophobicContact CD2-CB 3.73Å; L609-A640 HydrophobicContact CG-CB 4.03Å
610V96.2Very high95.8Very high1 Ų133.3 Ų33.31%0.00617%0.172CC..Hα-helixtrans-60.4-45.5173.1170.60000111A606 I607 E608 N613 K614 A640 F685 P687A606-V610 WeakPolarHBondContact O-CG2 3.25Å; A606-V610 PolarHBondContact O-N 2.73Å; I607-V610 PolarHBondContact O-N 2.81Å; E608-V610 PolarHBondContact O-N 2.86Å; V610-N613 PolarHBondContact O-N 2.98Å; V610-K614 PolarHBondContact O-N 3.31Å; V610-A640 WeakPolarHBondContact CA-O 3.49Å; V610-A640 HydrophobicContact CG2-CB 4.37Å; V610-F685 HydrophobicContact CG1-CB 4.28Å; V610-F685 HydrophobicContact CG1-CD1 4.09Å; V610-F685 HydrophobicContact CG2-CD1 4.17Å; V610-P687 HydrophobicContact CG2-CG 4.26Å
611N95.9Very high95.9Very high39 Ų3934.9 Ų34.921%0.20917%0.168CC..Hα-helixtrans-65.6-42.1-179.9-76.5-28.3000112.4I607 E608 L609 N613 K614I607-N611 PolarHBondContact O-N 3.2Å; I607-N611 PolarHBondContact O-ND2 3Å; E608-N611 PolarHBondContact O-N 3.09Å; L609-N611 VanDerWaalsContact C-N 3.35Å; N611-N613 VanDerWaalsContact C-N 3.3Å; N611-N613 PolarHBondContact O-N 3.36Å; N611-K614 WeakPolarHBondContact O-CB 3.21Å; N611-K614 PolarHBondContact O-N 3.09Å; N611-K614 WeakPolarHBondContact OD1-CE 3.27Å; N611-K614 PolarHBondContact OD1-NZ 3.08Å
612Y96.9Very high95.9Very high5 Ų532.1 Ų32.12%0.0216%0.157CC..Hα-helixtrans-54-47.7172.3174.9-87.7000111.3F575 F578 A581 S591 E608 L609 K614 R615 Q616 T618F575-Y612 HydrophobicContact CD2-CE2 4.28Å; F575-Y612 HydrophobicContact CE2-CD2 4.11Å; F575-Y612 AromaticContact CE2-CE2 3.77Å; F575-Y612 HydrophobicContact CE2-CE2 3.77Å; F578-Y612 HydrophobicContact CD1-CD2 4.12Å; F578-Y612 HydrophobicContact CD1-CG 4.14Å; F578-Y612 HydrophobicContact CE1-CD2 4.44Å; F578-Y612 HydrophobicContact CE1-CG 4.15Å; A581-Y612 HydrophobicContact CB-CD2 3.98Å; A581-Y612 HydrophobicContact CB-CE2 3.8Å; S591-Y612 PolarHBondContact N-OH 3.17Å; S591-Y612 PolarHBondContact OG-OH 3.01Å; E608-Y612 WeakPolarHBondContact O-CB 3.31Å; E608-Y612 PolarHBondContact O-N 2.91Å; L609-Y612 PolarHBondContact O-N 2.81Å; Y612-K614 PolarHBondContact O-N 3.02Å; Y612-K614 VanDerWaalsContact O-N 3.1Å; Y612-R615 PolarHBondContact O-N 2.95Å; Y612-R615 VanDerWaalsContact O-N 3.13Å; Y612-Q616 HydrophobicContact CD1-CB 4.41Å; Y612-Q616 HydrophobicContact CE1-CB 3.87Å; Y612-Q616 HydrophobicContact CE2-CB 4.08Å; Y612-Q616 PolarHBondContact O-N 3.38Å; Y612-T618 WeakPolarHBondContact CD1-OG1 3.44Å; Y612-T618 WeakPolarHBondContact CE1-OG1 3.14Å
613N97.7Very high95.7Very high0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-69.9-3.7-177.8-75.2-35.8000114.9L609 V610 N611 Q616 T618 A640 G641 C642 Q643 K674L609-N613 WeakPolarHBondContact O-CB 3.41Å; L609-N613 PolarHBondContact O-N 3Å; L609-N613 PolarHBondContact O-ND2 3.28Å; L609-N613 VanDerWaalsContact O-ND2 3.08Å; V610-N613 PolarHBondContact O-N 2.98Å; N611-N613 VanDerWaalsContact C-N 3.3Å; N611-N613 PolarHBondContact O-N 3.36Å; N613-Q616 WeakPolarHBondContact CA-O 3.34Å; N613-T618 VanDerWaalsContact OD1-CB 3.23Å; N613-T618 WeakPolarHBondContact OD1-CB 3.42Å; N613-T618 PolarHBondContact OD1-OG1 3.01Å; N613-A640 PolarHBondContact ND2-O 3.22Å; N613-G641 WeakPolarHBondContact CB-O 3.39Å; N613-C642 PolarHBondContact ND2-N 3.05Å; N613-C642 PolarHBondContact ND2-SG 3.21Å; N613-C642 VanDerWaalsContact ND2-SG 3.36Å; N613-Q643 PolarHBondContact O-NE2 3.08Å; N613-Q643 PolarHBondContact OD1-OE1 3.04Å; N613-K674 PolarHBondContact O-NZ 3.01Å
614K97.2Very high95.2Very high10 Ų1028.7 Ų28.74%0.04315%0.151CC..Hα-helixtrans-74.8-38.7169.2-67.2170-177.3171.30111.5S314 H315 V610 N611 Y612 M678 R680 R683S314-K614 WeakPolarHBondContact CB-O 3.33Å; S314-K614 PolarHBondContact OG-O 3.42Å; H315-K614 PolarHBondContact CD2-O 3.49Å; H315-K614 PolarHBondContact NE2-O 3Å; V610-K614 PolarHBondContact O-N 3.31Å; N611-K614 WeakPolarHBondContact O-CB 3.21Å; N611-K614 PolarHBondContact O-N 3.09Å; N611-K614 WeakPolarHBondContact OD1-CE 3.27Å; N611-K614 PolarHBondContact OD1-NZ 3.08Å; Y612-K614 PolarHBondContact O-N 3.02Å; Y612-K614 VanDerWaalsContact O-N 3.1Å; K614-M678 WeakPolarHBondContact CG-O 3.21Å; K614-R680 VanDerWaalsContact CE-O 3.29Å; K614-R680 WeakPolarHBondContact CE-O 3.31Å; K614-R680 PolarHBondContact NZ-O 3.09Å; K614-R683 PolarHBondContact NZ-O 2.57Å
615R96.4Very high94.6Very high54 Ų5426 Ų2620%0.20414%0.144CC..Hα-helixtrans-101.5-44.2-171.9-61.1-178.6-62.4-110.82.4112E582 H587 Y612E582-R615 IonicContact OE1-CZ 3.53Å; E582-R615 IonicContact OE1-NH1 3.44Å; E582-R615 PolarHBondContact OE1-NH1 3.13Å; E582-R615 IonicContact OE1-NH2 2.75Å; E582-R615 PolarHBondContact OE1-NH2 3.12Å; H587-R615 WeakPolarHBondContact CB-O 3.42Å; Y612-R615 PolarHBondContact O-N 2.95Å; Y612-R615 VanDerWaalsContact O-N 3.13Å
616Q97.5Very high94.4Very high4 Ų426.9 Ų26.92%0.01914%0.143CC..SBendtrans-112.6168.3-174.5-72.7172.3-31.100111C586 Y589 Y612 N613 Q643C586-Q616 PolarHBondContact O-NE2 2.76Å; Y589-Q616 WeakPolarHBondContact O-CG 3.34Å; Y612-Q616 HydrophobicContact CD1-CB 4.41Å; Y612-Q616 HydrophobicContact CE1-CB 3.87Å; Y612-Q616 HydrophobicContact CE2-CB 4.08Å; Y612-Q616 PolarHBondContact O-N 3.38Å; N613-Q616 WeakPolarHBondContact CA-O 3.34Å; Q616-Q643 PolarHBondContact O-NE2 3.45Å
617M98Very high94Very high1 Ų128.1 Ų28.11%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-103.3138.9178.2-67.7-176.2-68.900111.8L313 I318 L444 Y569 T570 M590 S591 Q643 M644L313-M617 HydrophobicContact CB-SD 4.14Å; I318-M617 HydrophobicContact CD1-SD 4.37Å; L444-M617 HydrophobicContact CD1-CE 3.93Å; L444-M617 HydrophobicContact CD1-CG 3.87Å; L444-M617 HydrophobicContact CD1-SD 4.15Å; L444-M617 HydrophobicContact CD2-CE 4.34Å; Y569-M617 WeakPolarHBondContact O-CE 3.35Å; T570-M617 HydrophobicContact CG2-CE 3.86Å; M590-M617 WeakPolarHBondContact CA-O 3.48Å; M590-M617 HydrophobicContact CB-CB 4.07Å; M590-M617 WeakPolarHBondContact CB-O 3.41Å; S591-M617 PolarHBondContact N-O 3.38Å; M617-Q643 VanDerWaalsContact CA-OE1 3.29Å; M617-Q643 HydrophobicContact CG-CG 4.41Å; M617-M644 HydrophobicContact CB-CE 3.74Å; M617-M644 HydrophobicContact SD-CE 4.25Å
618T98.5Very high93.7Very high0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-111131.2170.7-62.90000110.1S591 F593 Y612 N613 I620 C642 Q643 M644S591-T618 WeakPolarHBondContact O-CA 3.4Å; F593-T618 HydrophobicContact CD2-CG2 3.54Å; F593-T618 HydrophobicContact CE2-CG2 3.77Å; Y612-T618 WeakPolarHBondContact CD1-OG1 3.44Å; Y612-T618 WeakPolarHBondContact CE1-OG1 3.14Å; N613-T618 VanDerWaalsContact OD1-CB 3.23Å; N613-T618 WeakPolarHBondContact OD1-CB 3.42Å; N613-T618 PolarHBondContact OD1-OG1 3.01Å; T618-I620 HydrophobicContact CG2-CD1 3.59Å; T618-I620 HydrophobicContact CG2-CG1 4.11Å; T618-C642 HydrophobicContact CG2-CB 4.28Å; T618-Q643 PolarHBondContact O-N 3.04Å; T618-M644 PolarHBondContact O-N 3.32Å
619R98.5Very high93.6Very high6 Ų625.9 Ų25.92%0.02314%0.14CC..EExtended strand (participates in β ladder)trans-101.6130.9163.8-177.6177.7-177.8-117.85.5110.3E352 M590 S591 S592 F593 M644 S646E352-R619 IonicContact OE1-CZ 3.7Å; E352-R619 VanDerWaalsContact OE1-CZ 3.27Å; E352-R619 IonicContact OE1-NH1 3.26Å; E352-R619 PolarHBondContact OE1-NH1 2.98Å; E352-R619 IonicContact OE1-NH2 2.95Å; E352-R619 PolarHBondContact OE1-NH2 3.43Å; E352-R619 IonicContact OE2-CZ 3.43Å; E352-R619 IonicContact OE2-NH1 3.45Å; E352-R619 IonicContact OE2-NH2 2.79Å; E352-R619 PolarHBondContact OE2-NH2 3.34Å; M590-R619 HydrophobicContact CE-CB 3.83Å; S591-R619 PolarHBondContact O-N 2.92Å; S592-R619 CarbonylContact C-O 3.5Å; S592-R619 VanDerWaalsContact CA-O 3.27Å; S592-R619 WeakPolarHBondContact CA-O 3.48Å; F593-R619 PolarHBondContact N-O 3.05Å; R619-M644 CarbonylContact C-O 3.53Å; R619-M644 VanDerWaalsContact CA-O 3.24Å; R619-M644 WeakPolarHBondContact CA-O 3.4Å; R619-M644 HydrophobicContact CB-CB 3.93Å; R619-M644 HydrophobicContact CB-CE 4.21Å; R619-M644 HydrophobicContact CG-CB 3.98Å; R619-M644 WeakPolarHBondContact CG-O 3.47Å; R619-S646 PolarHBondContact NE-OG 2.87Å; R619-S646 VanDerWaalsContact NE-OG 3.07Å; R619-S646 PolarHBondContact NH2-OG 2.93Å
620I98.2Very high93.5Very high1 Ų127 Ų271%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-112.2137.7170.6-53.6-61.8000108.5F593 T618 Y632 F637 C642 M644 S646F593-I620 HydrophobicContact CB-CD1 3.89Å; F593-I620 HydrophobicContact CD2-CD1 4.02Å; F593-I620 HydrophobicContact CG-CD1 4.47Å; F593-I620 WeakPolarHBondContact O-CA 3.11Å; T618-I620 HydrophobicContact CG2-CD1 3.59Å; T618-I620 HydrophobicContact CG2-CG1 4.11Å; I620-Y632 HydrophobicContact CG2-CE1 4.48Å; I620-Y632 HydrophobicContact CG2-CE2 4.15Å; I620-Y632 PolarHBondContact O-OH 3.16Å; I620-F637 HydrophobicContact CB-CG 4.38Å; I620-F637 HydrophobicContact CD1-CD1 4.08Å; I620-F637 HydrophobicContact CD1-CE1 4.29Å; I620-F637 HydrophobicContact CG1-CB 4.16Å; I620-F637 HydrophobicContact CG1-CD1 3.82Å; I620-F637 HydrophobicContact CG1-CE1 4.33Å; I620-F637 HydrophobicContact CG1-CG 3.91Å; I620-F637 HydrophobicContact CG2-CD1 4.2Å; I620-F637 HydrophobicContact CG2-CD2 3.93Å; I620-F637 HydrophobicContact CG2-CE1 4.05Å; I620-F637 HydrophobicContact CG2-CE2 3.75Å; I620-F637 HydrophobicContact CG2-CG 4.13Å; I620-F637 HydrophobicContact CG2-CZ 3.8Å; I620-C642 HydrophobicContact CG1-CB 4.17Å; I620-M644 PolarHBondContact N-O 2.94Å; I620-S646 VanDerWaalsContact O-CB 3.31Å; I620-S646 WeakPolarHBondContact O-CB 3.24Å; I620-S646 PolarHBondContact O-N 3.35Å
621Y96.2Very high93.5Very high68 Ų6827.5 Ų27.527%0.26715%0.151SC..EExtended strand (participates in β ladder)trans-135.2153.5177.561.5-87.5000112.2F593 S594 E595F593-Y621 WeakPolarHBondContact O-CD1 3.48Å; F593-Y621 WeakPolarHBondContact O-CE1 3.23Å; F593-Y621 PolarHBondContact O-N 2.76Å; F593-Y621 VanDerWaalsContact O-N 3.08Å; S594-Y621 CarbonylContact C-O 3.59Å; E595-Y621 PolarHBondContact N-O 3.32Å
622P95.4Very high93.6Very high4 Ų425.9 Ų25.93%0.02614%0.142CC..  trans-60.2146.3-178.1-19.431.4000112.1H322 Y632H322-P622 HydrophobicContact CB-CG 4.17Å; P622-Y632 HydrophobicContact CB-CD1 4.18Å; P622-Y632 HydrophobicContact CB-CE1 4.19Å; P622-Y632 HydrophobicContact CG-CD1 4.14Å; P622-Y632 HydrophobicContact CG-CE1 3.77Å
623K89.1Confident93.6Very high90 Ų9027.2 Ų27.239%0.39115%0.149SC..  trans-69.2147.8172.667.4-177.7179.9-179.50111.4G625 R626K623-G625 PolarHBondContact O-N 3.01Å; K623-R626 HydrophobicContact CG-CG 4.24Å; K623-R626 PolarHBondContact O-N 3.2Å; K623-R626 VanDerWaalsContact O-N 3.09Å
624G79.7Confident93.5Very high32 Ų3227.2 Ų27.233%0.3315%0.149SC..THydrogen-bonded Turntrans-58.8-19.6-179.900000115.3F547 R626F547-G624 WeakPolarHBondContact CE2-O 3.35Å; G624-R626 PolarHBondContact O-N 3.34Å; G624-R626 VanDerWaalsContact O-N 3.15Å
625G81.2Confident93.5Very high47 Ų4726.9 Ų26.949%0.48515%0.148SC..THydrogen-bonded Turntrans-65.6-9.8174.600000115.1K623 V627K623-G625 PolarHBondContact O-N 3.01Å; G625-V627 VanDerWaalsContact C-N 3.28Å; G625-V627 PolarHBondContact O-N 2.86Å; G625-V627 VanDerWaalsContact O-N 3.16Å
626R88.5Confident93.5Very high48 Ų4827.4 Ų27.418%0.18115%0.154CC..  trans-87.862.1176.4-66172.3173.1-80.37.4111Q330 E595 K623 G624 D628 S629 S630 N631Q330-R626 WeakPolarHBondContact CG-O 3.45Å; E595-R626 IonicContact OE1-CZ 2.72Å; E595-R626 IonicContact OE1-NE 3.12Å; E595-R626 IonicContact OE1-NH2 3.91Å; E595-R626 PolarHBondContact OE1-NH2 2.89Å; E595-R626 IonicContact OE2-CZ 3.39Å; E595-R626 IonicContact OE2-NE 2.59Å; E595-R626 PolarHBondContact OE2-NE 3.28Å; E595-R626 IonicContact OE2-NH2 3.84Å; E595-R626 PolarHBondContact OE2-NH2 3.47Å; K623-R626 HydrophobicContact CG-CG 4.24Å; K623-R626 PolarHBondContact O-N 3.2Å; K623-R626 VanDerWaalsContact O-N 3.09Å; G624-R626 PolarHBondContact O-N 3.34Å; G624-R626 VanDerWaalsContact O-N 3.15Å; R626-D628 PolarHBondContact O-N 2.92Å; R626-S629 PolarHBondContact O-N 2.77Å; R626-S630 WeakPolarHBondContact CD-O 3.34Å; R626-S630 PolarHBondContact NH1-OG 3.06Å; R626-S630 VanDerWaalsContact NH1-OG 3.15Å; R626-N631 PolarHBondContact NH1-O 3.1Å
627V85.8Confident93.5Very high36 Ų3627.3 Ų27.322%0.21815%0.154CC..THydrogen-bonded Turntrans-63.3-26.4-174.8-60.20000113.6Q330 F331 F547 G625 S629Q330-V627 PolarHBondContact N-O 2.84Å; F331-V627 HydrophobicContact CD2-CB 4.1Å; F331-V627 HydrophobicContact CD2-CG1 3.91Å; F331-V627 HydrophobicContact CE2-CB 4.45Å; F331-V627 HydrophobicContact CE2-CG1 3.79Å; F547-V627 HydrophobicContact CD2-CG1 3.51Å; F547-V627 HydrophobicContact CE2-CG1 3.81Å; F547-V627 HydrophobicContact CG-CG1 4.4Å; G625-V627 VanDerWaalsContact C-N 3.28Å; G625-V627 PolarHBondContact O-N 2.86Å; G625-V627 VanDerWaalsContact O-N 3.16Å; V627-S629 PolarHBondContact O-N 3.05Å
628D87.9Confident93.4Very high96 Ų9627.3 Ų27.351%0.51315%0.154SC..THydrogen-bonded Turntrans-78.81175.767.2-16.2000113.5R626 S630R626-D628 PolarHBondContact O-N 2.92Å; D628-S630 PolarHBondContact O-N 2.92Å; D628-S630 VanDerWaalsContact OD1-CB 3.23Å; D628-S630 WeakPolarHBondContact OD1-CB 3.25Å; D628-S630 PolarHBondContact OD1-N 3.42Å; D628-S630 PolarHBondContact OD1-OG 3.28Å
629S93.2Very high93.3Very high0 Ų027.7 Ų27.70%016%0.156CC..  trans6619.7-174.8-53.50000114.4G328 Q330 R626 V627 N648 Q650 T651G328-S629 PolarHBondContact O-OG 3.34Å; Q330-S629 PolarHBondContact NE2-OG 2.92Å; R626-S629 PolarHBondContact O-N 2.77Å; V627-S629 PolarHBondContact O-N 3.05Å; S629-N648 WeakPolarHBondContact O-CB 3.49Å; S629-N648 PolarHBondContact O-ND2 3.47Å; S629-Q650 PolarHBondContact OG-NE2 3.43Å; S629-T651 WeakPolarHBondContact O-CB 3.44Å; S629-T651 PolarHBondContact O-OG1 3.29Å; S629-T651 VanDerWaalsContact O-OG1 3.07Å
630S95.4Very high93.2Very high24 Ų2427.4 Ų27.417%0.16816%0.155CC..  trans-56.9154.5171.556.40000112.7R626 D628 N648R626-S630 WeakPolarHBondContact CD-O 3.34Å; R626-S630 PolarHBondContact NH1-OG 3.06Å; R626-S630 VanDerWaalsContact NH1-OG 3.15Å; D628-S630 PolarHBondContact O-N 2.92Å; D628-S630 VanDerWaalsContact OD1-CB 3.23Å; D628-S630 WeakPolarHBondContact OD1-CB 3.25Å; D628-S630 PolarHBondContact OD1-N 3.42Å; D628-S630 PolarHBondContact OD1-OG 3.28Å; S630-N648 PolarHBondContact O-ND2 3.42Å
631N97.1Very high93.1Very high12 Ų1227.4 Ų27.46%0.06416%0.155CC..  trans-105.4157.9179.3-70.7-57000113R626 L647 N648 T651 D653 A655R626-N631 PolarHBondContact NH1-O 3.1Å; N631-L647 HydrophobicContact CB-CD2 4.13Å; N631-L647 WeakPolarHBondContact OD1-CA 3.45Å; N631-L647 WeakPolarHBondContact OD1-CB 3.47Å; N631-N648 PolarHBondContact ND2-O 3.41Å; N631-N648 VanDerWaalsContact ND2-O 3.12Å; N631-N648 WeakPolarHBondContact OD1-CB 3.39Å; N631-N648 PolarHBondContact OD1-N 3.45Å; N631-T651 PolarHBondContact ND2-O 2.83Å; N631-D653 WeakPolarHBondContact CB-OD1 3.4Å; N631-D653 VanDerWaalsContact CB-OD2 3.3Å; N631-D653 WeakPolarHBondContact CB-OD2 3.49Å; N631-D653 PolarHBondContact N-OD2 3.49Å; N631-D653 PolarHBondContact ND2-OD1 3.33Å; N631-A655 HydrophobicContact CB-CB 3.54Å
632Y97Very high93.2Very high6 Ų624.2 Ų24.22%0.02414%0.142CC..  trans-92.7160.516661.4-94.9000110.1E595 I620 P622 P634 F637 V645 S646 L647 A655E595-Y632 HydrophobicContact CB-CD1 4.16Å; E595-Y632 HydrophobicContact CG-CD1 4.08Å; E595-Y632 HydrophobicContact CG-CG 3.96Å; E595-Y632 WeakPolarHBondContact OE1-CB 3.39Å; I620-Y632 HydrophobicContact CG2-CE1 4.48Å; I620-Y632 HydrophobicContact CG2-CE2 4.15Å; I620-Y632 PolarHBondContact O-OH 3.16Å; P622-Y632 HydrophobicContact CB-CD1 4.18Å; P622-Y632 HydrophobicContact CB-CE1 4.19Å; P622-Y632 HydrophobicContact CG-CD1 4.14Å; P622-Y632 HydrophobicContact CG-CE1 3.77Å; Y632-P634 VanDerWaalsContact O-CD 3.24Å; Y632-P634 WeakPolarHBondContact O-CD 3.3Å; Y632-F637 AromaticContact CD2-CD2 3.73Å; Y632-F637 HydrophobicContact CD2-CD2 3.73Å; Y632-F637 AromaticContact CD2-CE2 3.43Å; Y632-F637 HydrophobicContact CD2-CE2 3.43Å; Y632-F637 VanDerWaalsContact CD2-CE2 3.43Å; Y632-F637 AromaticContact CE2-CD2 3.42Å; Y632-F637 HydrophobicContact CE2-CD2 3.42Å; Y632-F637 VanDerWaalsContact CE2-CD2 3.42Å; Y632-F637 AromaticContact CE2-CE2 3.46Å; Y632-F637 HydrophobicContact CE2-CE2 3.46Å; Y632-F637 VanDerWaalsContact CE2-CE2 3.46Å; Y632-F637 HydrophobicContact CG-CE2 4.28Å; Y632-V645 HydrophobicContact CE2-CG1 3.51Å; Y632-V645 VanDerWaalsContact OH-CG1 3.32Å; Y632-V645 WeakPolarHBondContact OH-CG1 3.48Å; Y632-S646 WeakPolarHBondContact CE1-O 3.39Å; Y632-S646 PolarHBondContact OH-N 3.5Å; Y632-S646 PolarHBondContact OH-O 3.42Å; Y632-L647 HydrophobicContact CD1-CD2 4.48Å; Y632-L647 HydrophobicContact CD2-CD2 4.42Å; Y632-L647 HydrophobicContact CE1-CD2 4.09Å; Y632-L647 HydrophobicContact CE2-CD2 4.05Å; Y632-A655 WeakPolarHBondContact O-CB 3.44Å
633L96Very high93.4Very high33 Ų3324 Ų2417%0.17314%0.141CC..  trans-72.1113.3-178.6-172.369.3000110.2Q635 I636 L658 Y725L633-Q635 VanDerWaalsContact C-N 3.3Å; L633-Q635 HydrophobicContact CG-CB 4.35Å; L633-Q635 PolarHBondContact O-N 3.08Å; L633-I636 HydrophobicContact CB-CD1 3.93Å; L633-I636 HydrophobicContact CB-CG1 4.22Å; L633-I636 HydrophobicContact CD2-CD1 4.35Å; L633-I636 HydrophobicContact CD2-CG1 4.18Å; L633-I636 HydrophobicContact CG-CG1 4.43Å; L633-I636 PolarHBondContact O-N 3.25Å; L633-L658 HydrophobicContact CD1-CD1 3.38Å; L633-Y725 HydrophobicContact CD1-CD1 4Å; L633-Y725 HydrophobicContact CD1-CE1 3.92Å; L633-Y725 HydrophobicContact CD2-CD1 4.11Å; L633-Y725 HydrophobicContact CD2-CE1 4.26Å
634P97.7Very high93.8Very high0 Ų019.7 Ų19.70%012%0.122CC..THydrogen-bonded Turntrans-70.4-28.1-171.628.5-37.4000113Y632 I636 F637 W638 V645 L647Y632-P634 VanDerWaalsContact O-CD 3.24Å; Y632-P634 WeakPolarHBondContact O-CD 3.3Å; P634-I636 PolarHBondContact O-N 2.75Å; P634-I636 VanDerWaalsContact O-N 3.11Å; P634-F637 PolarHBondContact O-N 3.36Å; P634-W638 HydrophobicContact CB-CD2 4.24Å; P634-W638 HydrophobicContact CB-CE3 4.34Å; P634-W638 HydrophobicContact CB-CH2 3.67Å; P634-W638 HydrophobicContact CB-CZ2 3.58Å; P634-W638 HydrophobicContact CB-CZ3 4.06Å; P634-W638 HydrophobicContact CG-CE3 4.45Å; P634-W638 HydrophobicContact CG-CH2 3.48Å; P634-W638 VanDerWaalsContact CG-CH2 3.48Å; P634-W638 HydrophobicContact CG-CZ2 3.93Å; P634-W638 HydrophobicContact CG-CZ3 3.78Å; P634-W638 PolarHBondContact O-N 3.14Å; P634-W638 VanDerWaalsContact O-N 3.07Å; P634-V645 HydrophobicContact CB-CG1 3.74Å; P634-L647 HydrophobicContact CB-CD1 4.23Å; P634-L647 HydrophobicContact CB-CD2 4.46Å; P634-L647 HydrophobicContact CG-CD1 4.12Å
635Q96.1Very high94.7Very high3 Ų318.2 Ų18.21%0.01411%0.107CC..Hα-helixtrans-53.5-34.5179.2-171.865.749.500112.5L633 F637 W638 N639 G726L633-Q635 VanDerWaalsContact C-N 3.3Å; L633-Q635 HydrophobicContact CG-CB 4.35Å; L633-Q635 PolarHBondContact O-N 3.08Å; Q635-F637 VanDerWaalsContact C-N 3.26Å; Q635-F637 PolarHBondContact O-N 2.92Å; Q635-W638 HydrophobicContact CB-CE3 4.28Å; Q635-W638 PolarHBondContact O-N 3.09Å; Q635-N639 PolarHBondContact NE2-OD1 3.24Å; Q635-N639 PolarHBondContact O-N 3.02Å; Q635-N639 PolarHBondContact O-ND2 3.06Å; Q635-N639 PolarHBondContact O-OD1 2.97Å; Q635-N639 VanDerWaalsContact O-OD1 3.05Å; Q635-G726 VanDerWaalsContact CG-O 3.24Å; Q635-G726 WeakPolarHBondContact CG-O 3.47Å
636I95.6Very high95.5Very high65 Ų6516 Ų1633%0.3338%0.084SC..Hα-helixtrans-55-43.8178.1-63.5174.2000111.2L599 L602 L633 P634L599-I636 HydrophobicContact CD2-CG2 3.99Å; L602-I636 HydrophobicContact CD1-CG2 3.55Å; L633-I636 HydrophobicContact CB-CD1 3.93Å; L633-I636 HydrophobicContact CB-CG1 4.22Å; L633-I636 HydrophobicContact CD2-CD1 4.35Å; L633-I636 HydrophobicContact CD2-CG1 4.18Å; L633-I636 HydrophobicContact CG-CG1 4.43Å; L633-I636 PolarHBondContact O-N 3.25Å; P634-I636 PolarHBondContact O-N 2.75Å; P634-I636 VanDerWaalsContact O-N 3.11Å
637F97.7Very high96Very high1 Ų113.7 Ų13.70%0.0048%0.075CC..Hα-helixtrans-87.9-28.8-177.8-60.9-72.1000112.6E595 L599 L602 I620 Y632 P634 Q635 N639 A640 G641 C642 V645E595-F637 HydrophobicContact CG-CE2 4.39Å; E595-F637 HydrophobicContact CG-CZ 4.28Å; L599-F637 HydrophobicContact CD2-CZ 4.2Å; L599-F637 HydrophobicContact CG-CE1 4.5Å; L599-F637 HydrophobicContact CG-CZ 4Å; L602-F637 HydrophobicContact CD1-CD1 3.65Å; L602-F637 HydrophobicContact CD1-CE1 3.71Å; I620-F637 HydrophobicContact CB-CG 4.38Å; I620-F637 HydrophobicContact CD1-CD1 4.08Å; I620-F637 HydrophobicContact CD1-CE1 4.29Å; I620-F637 HydrophobicContact CG1-CB 4.16Å; I620-F637 HydrophobicContact CG1-CD1 3.82Å; I620-F637 HydrophobicContact CG1-CE1 4.33Å; I620-F637 HydrophobicContact CG1-CG 3.91Å; I620-F637 HydrophobicContact CG2-CD1 4.2Å; I620-F637 HydrophobicContact CG2-CD2 3.93Å; I620-F637 HydrophobicContact CG2-CE1 4.05Å; I620-F637 HydrophobicContact CG2-CE2 3.75Å; I620-F637 HydrophobicContact CG2-CG 4.13Å; I620-F637 HydrophobicContact CG2-CZ 3.8Å; Y632-F637 AromaticContact CD2-CD2 3.73Å; Y632-F637 HydrophobicContact CD2-CD2 3.73Å; Y632-F637 AromaticContact CD2-CE2 3.43Å; Y632-F637 HydrophobicContact CD2-CE2 3.43Å; Y632-F637 VanDerWaalsContact CD2-CE2 3.43Å; Y632-F637 AromaticContact CE2-CD2 3.42Å; Y632-F637 HydrophobicContact CE2-CD2 3.42Å; Y632-F637 VanDerWaalsContact CE2-CD2 3.42Å; Y632-F637 AromaticContact CE2-CE2 3.46Å; Y632-F637 HydrophobicContact CE2-CE2 3.46Å; Y632-F637 VanDerWaalsContact CE2-CE2 3.46Å; Y632-F637 HydrophobicContact CG-CE2 4.28Å; P634-F637 PolarHBondContact O-N 3.36Å; Q635-F637 VanDerWaalsContact C-N 3.26Å; Q635-F637 PolarHBondContact O-N 2.92Å; F637-N639 PolarHBondContact O-N 3.43Å; F637-A640 CarbonylContact O-C 3.54Å; F637-A640 PolarHBondContact O-N 2.94Å; F637-A640 VanDerWaalsContact O-N 3.1Å; F637-G641 PolarHBondContact O-N 2.83Å; F637-C642 HydrophobicContact CB-CB 4.05Å; F637-C642 WeakPolarHBondContact O-CB 3Å; F637-C642 PolarHBondContact O-N 3.1Å; F637-C642 VanDerWaalsContact O-N 3.13Å; F637-V645 HydrophobicContact CB-CG1 4.21Å; F637-V645 HydrophobicContact CB-CG2 3.77Å; F637-V645 HydrophobicContact CD2-CG1 4.29Å
638W97.5Very high96.6Very high2 Ų212 Ų121%0.0087%0.065CC..Hα-helixtrans-62.5-33169.3-64.8-27.4000112.2L317 P634 Q635 A640 G641 N659 K662 F663 M678L317-W638 HydrophobicContact CD1-CB 4.09Å; L317-W638 HydrophobicContact CD1-CD2 4.29Å; L317-W638 HydrophobicContact CD1-CG 3.85Å; L317-W638 HydrophobicContact CD2-CB 4.36Å; L317-W638 HydrophobicContact CD2-CG 4.24Å; P634-W638 HydrophobicContact CB-CD2 4.24Å; P634-W638 HydrophobicContact CB-CE3 4.34Å; P634-W638 HydrophobicContact CB-CH2 3.67Å; P634-W638 HydrophobicContact CB-CZ2 3.58Å; P634-W638 HydrophobicContact CB-CZ3 4.06Å; P634-W638 HydrophobicContact CG-CE3 4.45Å; P634-W638 HydrophobicContact CG-CH2 3.48Å; P634-W638 VanDerWaalsContact CG-CH2 3.48Å; P634-W638 HydrophobicContact CG-CZ2 3.93Å; P634-W638 HydrophobicContact CG-CZ3 3.78Å; P634-W638 PolarHBondContact O-N 3.14Å; P634-W638 VanDerWaalsContact O-N 3.07Å; Q635-W638 HydrophobicContact CB-CE3 4.28Å; Q635-W638 PolarHBondContact O-N 3.09Å; W638-A640 PolarHBondContact O-N 2.77Å; W638-G641 WeakPolarHBondContact O-CA 3.33Å; W638-G641 PolarHBondContact O-N 2.99Å; W638-N659 HydrophobicContact CH2-CB 4.42Å; W638-K662 HydrophobicContact CD2-CD 4.39Å; W638-K662 HydrophobicContact CE3-CD 3.65Å; W638-K662 HydrophobicContact CH2-CB 4.49Å; W638-K662 HydrophobicContact CH2-CD 3.9Å; W638-K662 HydrophobicContact CZ3-CD 3.38Å; W638-F663 AromaticContact CZ2-CE2 3.8Å; W638-F663 HydrophobicContact CZ2-CE2 3.8Å; W638-M678 WeakPolarHBondContact O-CE 3.41Å
639N95.3Very high97Very high8 Ų87.6 Ų7.64%0.0434%0.041CC..THydrogen-bonded Turntrans-60.2-31.8172.8-63-15000112.3Q635 F637 G641 M678 P687 G726 L727 L765Q635-N639 PolarHBondContact NE2-OD1 3.24Å; Q635-N639 PolarHBondContact O-N 3.02Å; Q635-N639 PolarHBondContact O-ND2 3.06Å; Q635-N639 PolarHBondContact O-OD1 2.97Å; Q635-N639 VanDerWaalsContact O-OD1 3.05Å; F637-N639 PolarHBondContact O-N 3.43Å; N639-G641 VanDerWaalsContact C-N 3.34Å; N639-M678 WeakPolarHBondContact O-CE 3.48Å; N639-P687 HydrophobicContact CB-CB 4.12Å; N639-G726 PolarHBondContact ND2-O 3.45Å; N639-G726 PolarHBondContact OD1-O 2.78Å; N639-L727 HydrophobicContact CB-CD2 4.02Å; N639-L765 HydrophobicContact CB-CD2 4.34Å; N639-L765 WeakPolarHBondContact OD1-CD2 3.38Å
640A95.9Very high97Very high0 Ų08.4 Ų8.40%05%0.045CC..THydrogen-bonded Turntrans-870.2172.700000114L602 L609 V610 N613 F637 W638 C642L602-A640 HydrophobicContact CD2-CB 3.62Å; L602-A640 HydrophobicContact CG-CB 4.45Å; L609-A640 HydrophobicContact CD2-CB 3.73Å; L609-A640 HydrophobicContact CG-CB 4.03Å; V610-A640 WeakPolarHBondContact CA-O 3.49Å; V610-A640 HydrophobicContact CG2-CB 4.37Å; N613-A640 PolarHBondContact ND2-O 3.22Å; F637-A640 CarbonylContact O-C 3.54Å; F637-A640 PolarHBondContact O-N 2.94Å; F637-A640 VanDerWaalsContact O-N 3.1Å; W638-A640 PolarHBondContact O-N 2.77Å; A640-C642 VanDerWaalsContact C-N 3.32Å; A640-C642 PolarHBondContact O-N 2.65Å
641G96.7Very high97Very high1 Ų18.8 Ų8.81%0.015%0.046CC..THydrogen-bonded Turntrans78.513.5177.600000114.7N613 F637 W638 N639 Q643 K674N613-G641 WeakPolarHBondContact CB-O 3.39Å; F637-G641 PolarHBondContact O-N 2.83Å; W638-G641 WeakPolarHBondContact O-CA 3.33Å; W638-G641 PolarHBondContact O-N 2.99Å; N639-G641 VanDerWaalsContact C-N 3.34Å; G641-Q643 PolarHBondContact O-N 3.34Å; G641-K674 PolarHBondContact O-NZ 2.93Å
642C98.4Very high96.8Very high0 Ų010.4 Ų10.40%06%0.058CC..  trans-61128.5173.8-62.10000109.6L317 N613 T618 I620 F637 A640 V645L317-C642 WeakPolarHBondContact CD2-O 3.2Å; N613-C642 PolarHBondContact ND2-N 3.05Å; N613-C642 PolarHBondContact ND2-SG 3.21Å; N613-C642 VanDerWaalsContact ND2-SG 3.36Å; T618-C642 HydrophobicContact CG2-CB 4.28Å; I620-C642 HydrophobicContact CG1-CB 4.17Å; F637-C642 HydrophobicContact CB-CB 4.05Å; F637-C642 WeakPolarHBondContact O-CB 3Å; F637-C642 PolarHBondContact O-N 3.1Å; F637-C642 VanDerWaalsContact O-N 3.13Å; A640-C642 VanDerWaalsContact C-N 3.32Å; A640-C642 PolarHBondContact O-N 2.65Å; C642-V645 HydrophobicContact CB-CG2 3.93Å; C642-V645 WeakPolarHBondContact O-CG2 3.44Å
643Q98.7Very high96.7Very high0 Ų012 Ų120%07%0.067CC..SBendtrans-85.8-49.2-169.4-58.184.9-8.400111.4S314 Y316 I318 N613 Q616 M617 T618 G641 V645S314-Q643 PolarHBondContact O-NE2 3.26Å; Y316-Q643 WeakPolarHBondContact O-CB 3.35Å; Y316-Q643 WeakPolarHBondContact O-CG 3.42Å; I318-Q643 HydrophobicContact CD1-CB 4.15Å; I318-Q643 HydrophobicContact CG1-CB 4.17Å; I318-Q643 PolarHBondContact N-O 2.85Å; I318-Q643 VanDerWaalsContact O-O 3.11Å; N613-Q643 PolarHBondContact O-NE2 3.08Å; N613-Q643 PolarHBondContact OD1-OE1 3.04Å; Q616-Q643 PolarHBondContact O-NE2 3.45Å; M617-Q643 VanDerWaalsContact CA-OE1 3.29Å; M617-Q643 HydrophobicContact CG-CG 4.41Å; T618-Q643 PolarHBondContact O-N 3.04Å; G641-Q643 PolarHBondContact O-N 3.34Å; Q643-V645 PolarHBondContact O-N 3.38Å
644M98.5Very high96.7Very high0 Ų012.5 Ų12.50%07%0.069CC..EExtended strand (participates in β ladder)trans-100.774.4-175.6-69.5169.5-73.100110.9I318 S320 C350 I401 M590 M617 T618 R619 I620 S646I318-M644 HydrophobicContact CB-CG 4.29Å; I318-M644 HydrophobicContact CD1-CG 4.23Å; S320-M644 VanDerWaalsContact OG-CA 3.27Å; S320-M644 WeakPolarHBondContact OG-CA 3.46Å; C350-M644 HydrophobicContact CB-CG 4.23Å; C350-M644 HydrophobicContact CB-SD 4.44Å; I401-M644 HydrophobicContact CD1-SD 3.9Å; M590-M644 HydrophobicContact CE-CE 3.41Å; M590-M644 VanDerWaalsContact CE-CE 3.41Å; M590-M644 HydrophobicContact CE-SD 4.48Å; M617-M644 HydrophobicContact CB-CE 3.74Å; M617-M644 HydrophobicContact SD-CE 4.25Å; T618-M644 PolarHBondContact O-N 3.32Å; R619-M644 CarbonylContact C-O 3.53Å; R619-M644 VanDerWaalsContact CA-O 3.24Å; R619-M644 WeakPolarHBondContact CA-O 3.4Å; R619-M644 HydrophobicContact CB-CB 3.93Å; R619-M644 HydrophobicContact CB-CE 4.21Å; R619-M644 HydrophobicContact CG-CB 3.98Å; R619-M644 WeakPolarHBondContact CG-O 3.47Å; I620-M644 PolarHBondContact N-O 2.94Å; M644-S646 PolarHBondContact O-N 3.1Å
645V98.6Very high96.7Very high1 Ų112.8 Ų12.81%0.0067%0.071CC..EExtended strand (participates in β ladder)trans-86.388.1177.7-174.80000108.5Y632 P634 F637 C642 Q643Y632-V645 HydrophobicContact CE2-CG1 3.51Å; Y632-V645 VanDerWaalsContact OH-CG1 3.32Å; Y632-V645 WeakPolarHBondContact OH-CG1 3.48Å; P634-V645 HydrophobicContact CB-CG1 3.74Å; F637-V645 HydrophobicContact CB-CG1 4.21Å; F637-V645 HydrophobicContact CB-CG2 3.77Å; F637-V645 HydrophobicContact CD2-CG1 4.29Å; C642-V645 HydrophobicContact CB-CG2 3.93Å; C642-V645 WeakPolarHBondContact O-CG2 3.44Å; Q643-V645 PolarHBondContact O-N 3.38Å
646S98.5Very high96.7Very high0 Ų012.7 Ų12.70%07%0.071CC..EExtended strand (participates in β ladder)trans-75.9130.5-171.3-72.50000112.6S320 S321 R619 I620 Y632 M644S320-S646 WeakPolarHBondContact O-CA 3.39Å; S321-S646 WeakPolarHBondContact O-CB 3.23Å; S321-S646 PolarHBondContact O-OG 2.64Å; R619-S646 PolarHBondContact NE-OG 2.87Å; R619-S646 VanDerWaalsContact NE-OG 3.07Å; R619-S646 PolarHBondContact NH2-OG 2.93Å; I620-S646 VanDerWaalsContact O-CB 3.31Å; I620-S646 WeakPolarHBondContact O-CB 3.24Å; I620-S646 PolarHBondContact O-N 3.35Å; Y632-S646 WeakPolarHBondContact CE1-O 3.39Å; Y632-S646 PolarHBondContact OH-N 3.5Å; Y632-S646 PolarHBondContact OH-O 3.42Å; M644-S646 PolarHBondContact O-N 3.1Å
647L98.4Very high96.8Very high0 Ų010.1 Ų10.10%06%0.058CC..EExtended strand (participates in β ladder)trans-122.9157.6178.6-59.1-179.5000112.2S320 S321 H322 N631 Y632 P634 F649 M656 N659S320-L647 PolarHBondContact O-N 3.43Å; S321-L647 CarbonylContact C-O 3.49Å; S321-L647 WeakPolarHBondContact CA-O 3.36Å; H322-L647 PolarHBondContact N-O 3.28Å; N631-L647 HydrophobicContact CB-CD2 4.13Å; N631-L647 WeakPolarHBondContact OD1-CA 3.45Å; N631-L647 WeakPolarHBondContact OD1-CB 3.47Å; Y632-L647 HydrophobicContact CD1-CD2 4.48Å; Y632-L647 HydrophobicContact CD2-CD2 4.42Å; Y632-L647 HydrophobicContact CE1-CD2 4.09Å; Y632-L647 HydrophobicContact CE2-CD2 4.05Å; P634-L647 HydrophobicContact CB-CD1 4.23Å; P634-L647 HydrophobicContact CB-CD2 4.46Å; P634-L647 HydrophobicContact CG-CD1 4.12Å; L647-F649 WeakPolarHBondContact O-CD2 3.46Å; L647-F649 PolarHBondContact O-N 2.97Å; L647-M656 HydrophobicContact CB-CE 3.5Å; L647-M656 VanDerWaalsContact CB-CE 3.5Å; L647-M656 HydrophobicContact CD1-CE 4.05Å; L647-M656 HydrophobicContact CG-CE 4.45Å; L647-N659 HydrophobicContact CD1-CB 3.6Å
648N97.4Very high96.8Very high1 Ų110.2 Ų10.21%0.0056%0.058CC..  trans-77.9101172-63.5-44.2000110H322 S629 S630 N631 Q650 T651 M656H322-N648 PolarHBondContact ND1-OD1 3.21Å; S629-N648 WeakPolarHBondContact O-CB 3.49Å; S629-N648 PolarHBondContact O-ND2 3.47Å; S630-N648 PolarHBondContact O-ND2 3.42Å; N631-N648 PolarHBondContact ND2-O 3.41Å; N631-N648 VanDerWaalsContact ND2-O 3.12Å; N631-N648 WeakPolarHBondContact OD1-CB 3.39Å; N631-N648 PolarHBondContact OD1-N 3.45Å; N648-Q650 VanDerWaalsContact C-N 3.25Å; N648-Q650 VanDerWaalsContact CA-OE1 3.32Å; N648-Q650 PolarHBondContact O-N 3.26Å; N648-T651 PolarHBondContact O-N 2.87Å; N648-M656 WeakPolarHBondContact O-CE 2.99Å
649F96.7Very high96.8Very high3 Ų310.1 Ų10.11%0.0136%0.058CC..THydrogen-bonded Turntrans-67.9-21.3-175.5-90.3-125.8000114L124 N319 S320 M339 V343 A346 C348 L647 T651 M656 Q660L124-F649 HydrophobicContact CD1-CB 4.48Å; L124-F649 HydrophobicContact CD1-CD1 3.88Å; N319-F649 WeakPolarHBondContact OD1-CZ 3.43Å; S320-F649 WeakPolarHBondContact O-CE2 3.34Å; M339-F649 HydrophobicContact CE-CB 4.25Å; V343-F649 HydrophobicContact CB-CD1 4.22Å; V343-F649 HydrophobicContact CG1-CD1 3.89Å; V343-F649 HydrophobicContact CG1-CE1 3.98Å; V343-F649 HydrophobicContact CG1-CG 4.27Å; V343-F649 HydrophobicContact CG1-CZ 4.46Å; V343-F649 HydrophobicContact CG2-CB 3.78Å; V343-F649 HydrophobicContact CG2-CD1 3.75Å; V343-F649 HydrophobicContact CG2-CG 3.94Å; A346-F649 HydrophobicContact CB-CE1 4.5Å; C348-F649 HydrophobicContact CB-CE1 3.89Å; C348-F649 HydrophobicContact CB-CZ 3.8Å; L647-F649 WeakPolarHBondContact O-CD2 3.46Å; L647-F649 PolarHBondContact O-N 2.97Å; F649-T651 PolarHBondContact O-N 3.47Å; F649-M656 HydrophobicContact CB-CE 4.42Å; F649-M656 HydrophobicContact CD1-SD 4.47Å; F649-M656 HydrophobicContact CD2-CE 3.6Å; F649-M656 HydrophobicContact CD2-SD 4.13Å; F649-M656 HydrophobicContact CE2-CE 4.03Å; F649-M656 HydrophobicContact CE2-SD 4.27Å; F649-M656 HydrophobicContact CG-CE 4.06Å; F649-M656 HydrophobicContact CG-SD 4.23Å; F649-Q660 VanDerWaalsContact CE1-NE2 3.32Å
650Q93.8Very high96.8Very high17 Ų1710.4 Ų10.48%0.0796%0.059CC..THydrogen-bonded Turntrans-70.5-1017669.8-85.736.600113.8V125 G328 M339 S629 N648V125-Q650 HydrophobicContact CG2-CB 3.8Å; G328-Q650 WeakPolarHBondContact O-CG 3.42Å; G328-Q650 PolarHBondContact O-NE2 2.94Å; G328-Q650 VanDerWaalsContact O-NE2 3.16Å; M339-Q650 HydrophobicContact CE-CB 3.68Å; S629-Q650 PolarHBondContact OG-NE2 3.43Å; N648-Q650 VanDerWaalsContact C-N 3.25Å; N648-Q650 VanDerWaalsContact CA-OE1 3.32Å; N648-Q650 PolarHBondContact O-N 3.26Å
651T95.3Very high96.7Very high31 Ų3110.4 Ų10.419%0.196%0.059CC..  trans-117.7104.9-175.1-570000110.4S629 N631 N648 F649 D653 M656S629-T651 WeakPolarHBondContact O-CB 3.44Å; S629-T651 PolarHBondContact O-OG1 3.29Å; S629-T651 VanDerWaalsContact O-OG1 3.07Å; N631-T651 PolarHBondContact ND2-O 2.83Å; N648-T651 PolarHBondContact O-N 2.87Å; F649-T651 PolarHBondContact O-N 3.47Å; T651-D653 HydrophobicContact CG2-CB 4.15Å; T651-D653 PolarHBondContact O-N 2.98Å; T651-M656 WeakPolarHBondContact O-CB 3.38Å
652P93.5Very high96.6Very high47 Ų4711.1 Ų11.131%0.3056%0.061SC..  trans-81.545-175.936.3-38.9000113.1Q657 D802 I803P652-Q657 PolarHBondContact O-NE2 3.04Å; P652-Q657 VanDerWaalsContact O-NE2 3.14Å; P652-D802 HydrophobicContact CB-CB 4.25Å; P652-I803 HydrophobicContact CB-CG2 3.44Å; P652-I803 VanDerWaalsContact CB-CG2 3.44Å; P652-I803 HydrophobicContact CG-CG2 4.48Å
653D95Very high96.5Very high40 Ų4011.1 Ų11.121%0.2146%0.062CC..SBendtrans-74.7179.91786513000112.4N631 T651 A655 M656 Q657N631-D653 WeakPolarHBondContact CB-OD1 3.4Å; N631-D653 VanDerWaalsContact CB-OD2 3.3Å; N631-D653 WeakPolarHBondContact CB-OD2 3.49Å; N631-D653 PolarHBondContact N-OD2 3.49Å; N631-D653 PolarHBondContact ND2-OD1 3.33Å; T651-D653 HydrophobicContact CG2-CB 4.15Å; T651-D653 PolarHBondContact O-N 2.98Å; D653-A655 PolarHBondContact O-N 3.26Å; D653-A655 PolarHBondContact OD1-N 2.95Å; D653-M656 PolarHBondContact O-N 3.04Å; D653-M656 VanDerWaalsContact O-N 3.13Å; D653-M656 PolarHBondContact OD1-N 3.49Å; D653-Q657 WeakPolarHBondContact O-CG 3.41Å; D653-Q657 PolarHBondContact O-N 2.6Å
654L96Very high96.2Very high42 Ų4212.6 Ų12.622%0.227%0.068CC..Hα-helixtrans-52.7-38.5179.7171.564.4000112.9Q657 L658 Y725 R769L654-Q657 WeakPolarHBondContact O-CB 2.76Å; L654-Q657 PolarHBondContact O-N 3.45Å; L654-L658 HydrophobicContact CD1-CD1 4.25Å; L654-L658 HydrophobicContact CD1-CG 4.35Å; L654-L658 HydrophobicContact CG-CD1 4.29Å; L654-L658 WeakPolarHBondContact O-CG 3.2Å; L654-L658 PolarHBondContact O-N 3.41Å; L654-Y725 HydrophobicContact CD1-CE2 4.43Å; L654-Y725 HydrophobicContact CD2-CE1 4.39Å; L654-Y725 WeakPolarHBondContact CD2-OH 3.47Å; L654-R769 VanDerWaalsContact CD1-CD 3.47Å; L654-R769 VanDerWaalsContact CD1-NE 3.33Å
655A97.3Very high95.9Very high6 Ų613 Ų135%0.057%0.07CC..Hα-helixtrans-70.1-41.6-178.800000111.3N631 Y632 D653 L658 N659N631-A655 HydrophobicContact CB-CB 3.54Å; Y632-A655 WeakPolarHBondContact O-CB 3.44Å; D653-A655 PolarHBondContact O-N 3.26Å; D653-A655 PolarHBondContact OD1-N 2.95Å; A655-L658 PolarHBondContact O-N 2.89Å; A655-N659 WeakPolarHBondContact O-CB 3.38Å; A655-N659 PolarHBondContact O-N 2.98Å
656M97Very high95.7Very high2 Ų213 Ų131%0.017%0.07CC..Hα-helixtrans-66.3-39.5173.4-172.453.553.600112.3L647 N648 F649 T651 D653 L658 N659 Q660L647-M656 HydrophobicContact CB-CE 3.5Å; L647-M656 VanDerWaalsContact CB-CE 3.5Å; L647-M656 HydrophobicContact CD1-CE 4.05Å; L647-M656 HydrophobicContact CG-CE 4.45Å; N648-M656 WeakPolarHBondContact O-CE 2.99Å; F649-M656 HydrophobicContact CB-CE 4.42Å; F649-M656 HydrophobicContact CD1-SD 4.47Å; F649-M656 HydrophobicContact CD2-CE 3.6Å; F649-M656 HydrophobicContact CD2-SD 4.13Å; F649-M656 HydrophobicContact CE2-CE 4.03Å; F649-M656 HydrophobicContact CE2-SD 4.27Å; F649-M656 HydrophobicContact CG-CE 4.06Å; F649-M656 HydrophobicContact CG-SD 4.23Å; T651-M656 WeakPolarHBondContact O-CB 3.38Å; D653-M656 PolarHBondContact O-N 3.04Å; D653-M656 VanDerWaalsContact O-N 3.13Å; D653-M656 PolarHBondContact OD1-N 3.49Å; M656-L658 VanDerWaalsContact C-N 3.34Å; M656-L658 PolarHBondContact O-N 3.38Å; M656-N659 PolarHBondContact O-N 3.19Å; M656-N659 HydrophobicContact SD-CB 4.39Å; M656-Q660 HydrophobicContact CG-CG 4.3Å; M656-Q660 WeakPolarHBondContact O-CG 3.46Å; M656-Q660 PolarHBondContact O-N 3.02Å; M656-Q660 HydrophobicContact SD-CG 3.98Å
657Q96.9Very high95.3Very high11 Ų1114 Ų145%0.0518%0.08CC..Hα-helixtrans-53.2-53.7172.2-73.8165.136.100110P652 D653 L654 N659 Q660 G661 Q782 I784 D802P652-Q657 PolarHBondContact O-NE2 3.04Å; P652-Q657 VanDerWaalsContact O-NE2 3.14Å; D653-Q657 WeakPolarHBondContact O-CG 3.41Å; D653-Q657 PolarHBondContact O-N 2.6Å; L654-Q657 WeakPolarHBondContact O-CB 2.76Å; L654-Q657 PolarHBondContact O-N 3.45Å; Q657-N659 VanDerWaalsContact C-N 3.32Å; Q657-N659 PolarHBondContact O-N 3.39Å; Q657-Q660 PolarHBondContact O-N 2.87Å; Q657-G661 PolarHBondContact O-N 3.11Å; Q657-Q782 HydrophobicContact CG-CG 4.38Å; Q657-I784 HydrophobicContact CB-CD1 4.14Å; Q657-I784 WeakPolarHBondContact O-CD1 3.36Å; Q657-D802 WeakPolarHBondContact CG-O 3.42Å
658L97.3Very high95.1Very high2 Ų215.7 Ų15.71%0.019%0.089CC..Hα-helixtrans-58.3-41.5178-72170.5000112.6L633 L654 A655 M656 K662 Y725 V767 I784L633-L658 HydrophobicContact CD1-CD1 3.38Å; L654-L658 HydrophobicContact CD1-CD1 4.25Å; L654-L658 HydrophobicContact CD1-CG 4.35Å; L654-L658 HydrophobicContact CG-CD1 4.29Å; L654-L658 WeakPolarHBondContact O-CG 3.2Å; L654-L658 PolarHBondContact O-N 3.41Å; A655-L658 PolarHBondContact O-N 2.89Å; M656-L658 VanDerWaalsContact C-N 3.34Å; M656-L658 PolarHBondContact O-N 3.38Å; L658-K662 WeakPolarHBondContact O-CB 3.21Å; L658-K662 PolarHBondContact O-N 3.26Å; L658-Y725 HydrophobicContact CD1-CD1 3.8Å; L658-Y725 HydrophobicContact CD1-CD2 4.1Å; L658-Y725 HydrophobicContact CD1-CE1 3.94Å; L658-Y725 HydrophobicContact CD1-CE2 4.25Å; L658-Y725 HydrophobicContact CD1-CG 3.89Å; L658-Y725 HydrophobicContact CD2-CD2 3.69Å; L658-Y725 HydrophobicContact CD2-CE2 4.16Å; L658-Y725 HydrophobicContact CD2-CG 4.05Å; L658-V767 HydrophobicContact CD2-CG2 3.96Å; L658-I784 HydrophobicContact CD2-CD1 4.16Å; L658-I784 HydrophobicContact CD2-CG1 4.25Å
659N97.5Very high95Very high1 Ų115.9 Ų15.91%0.0059%0.09CC..Hα-helixtrans-62.4-55.3177.3-173.275.6000112.4N319 W638 L647 A655 M656 Q657 G661 K662 F663N319-N659 PolarHBondContact OD1-ND2 3.44Å; W638-N659 HydrophobicContact CH2-CB 4.42Å; L647-N659 HydrophobicContact CD1-CB 3.6Å; A655-N659 WeakPolarHBondContact O-CB 3.38Å; A655-N659 PolarHBondContact O-N 2.98Å; M656-N659 PolarHBondContact O-N 3.19Å; M656-N659 HydrophobicContact SD-CB 4.39Å; Q657-N659 VanDerWaalsContact C-N 3.32Å; Q657-N659 PolarHBondContact O-N 3.39Å; N659-G661 VanDerWaalsContact C-N 3.34Å; N659-G661 PolarHBondContact O-N 3.05Å; N659-K662 PolarHBondContact O-N 2.82Å; N659-F663 WeakPolarHBondContact O-CD2 3.2Å; N659-F663 PolarHBondContact O-N 3.22Å; N659-F663 WeakPolarHBondContact OD1-CD2 3.48Å; N659-F663 VanDerWaalsContact OD1-CE2 3.31Å; N659-F663 WeakPolarHBondContact OD1-CE2 3.02Å
660Q94.7Very high95Very high14 Ų1415.7 Ų15.77%0.0659%0.09CC..Hα-helixtrans-61.8-42.7179.8-69.8-65.6-14.900111.7F649 M656 Q657 K662 E664 N804F649-Q660 VanDerWaalsContact CE1-NE2 3.32Å; M656-Q660 HydrophobicContact CG-CG 4.3Å; M656-Q660 WeakPolarHBondContact O-CG 3.46Å; M656-Q660 PolarHBondContact O-N 3.02Å; M656-Q660 HydrophobicContact SD-CG 3.98Å; Q657-Q660 PolarHBondContact O-N 2.87Å; Q660-K662 PolarHBondContact O-N 2.72Å; Q660-E664 PolarHBondContact O-N 2.95Å; Q660-E664 VanDerWaalsContact O-N 3.1Å; Q660-N804 HydrophobicContact CB-CB 3.7Å; Q660-N804 PolarHBondContact O-ND2 3.49Å
661G94.5Very high95.2Very high0 Ų015 Ų150%09%0.086CC..Hα-helixtrans-64.6-36.7177.500000113.5Q657 N659 Y665Q657-G661 PolarHBondContact O-N 3.11Å; N659-G661 VanDerWaalsContact C-N 3.34Å; N659-G661 PolarHBondContact O-N 3.05Å; G661-Y665 VanDerWaalsContact O-CD2 3.3Å; G661-Y665 WeakPolarHBondContact O-CD2 3.04Å; G661-Y665 WeakPolarHBondContact O-CE2 3.43Å
662K94.9Very high95.3Very high15 Ų1514.1 Ų14.17%0.0658%0.08CC..Hα-helixtrans-75.7-41.6178.6-162.9-178.2-176.180.50111.9W638 L658 N659 Q660 E664 L672 L765 V767W638-K662 HydrophobicContact CD2-CD 4.39Å; W638-K662 HydrophobicContact CE3-CD 3.65Å; W638-K662 HydrophobicContact CH2-CB 4.49Å; W638-K662 HydrophobicContact CH2-CD 3.9Å; W638-K662 HydrophobicContact CZ3-CD 3.38Å; L658-K662 WeakPolarHBondContact O-CB 3.21Å; L658-K662 PolarHBondContact O-N 3.26Å; N659-K662 PolarHBondContact O-N 2.82Å; Q660-K662 PolarHBondContact O-N 2.72Å; K662-E664 VanDerWaalsContact C-N 3.35Å; K662-L672 HydrophobicContact CD-CD1 4.29Å; K662-L672 HydrophobicContact CG-CD1 3.78Å; K662-L672 WeakPolarHBondContact O-CD1 3.46Å; K662-L765 PolarHBondContact NZ-O 2.78Å; K662-L765 VanDerWaalsContact NZ-O 3.11Å; K662-V767 HydrophobicContact CG-CG1 4.35Å
663F96Very high95.5Very high1 Ų113.7 Ų13.70%0.0048%0.076CC..Hα-helixtrans-81.6-7.1-177.2-79-70.8000115.1L317 N319 W638 N659 Y665 N668 L672L317-F663 HydrophobicContact CB-CE1 4.41Å; L317-F663 HydrophobicContact CB-CZ 4.08Å; N319-F663 HydrophobicContact CB-CB 4.33Å; N319-F663 HydrophobicContact CB-CD1 3.75Å; N319-F663 HydrophobicContact CB-CD2 3.75Å; N319-F663 HydrophobicContact CB-CE1 3.89Å; N319-F663 HydrophobicContact CB-CE2 3.89Å; N319-F663 HydrophobicContact CB-CG 3.68Å; N319-F663 HydrophobicContact CB-CZ 3.97Å; N319-F663 VanDerWaalsContact N-CZ 3.3Å; W638-F663 AromaticContact CZ2-CE2 3.8Å; W638-F663 HydrophobicContact CZ2-CE2 3.8Å; N659-F663 WeakPolarHBondContact O-CD2 3.2Å; N659-F663 PolarHBondContact O-N 3.22Å; N659-F663 WeakPolarHBondContact OD1-CD2 3.48Å; N659-F663 VanDerWaalsContact OD1-CE2 3.31Å; N659-F663 WeakPolarHBondContact OD1-CE2 3.02Å; F663-Y665 PolarHBondContact O-N 3.48Å; F663-N668 WeakPolarHBondContact O-CA 3.49Å; F663-L672 HydrophobicContact CD1-CD1 3.73Å; F663-L672 HydrophobicContact CD1-CG 3.78Å; F663-L672 HydrophobicContact CE1-CB 4.41Å; F663-L672 HydrophobicContact CE1-CD1 3.82Å; F663-L672 HydrophobicContact CE1-CG 3.84Å; F663-L672 HydrophobicContact CG-CD1 4.28Å; F663-L672 HydrophobicContact CZ-CD1 4.43Å
664E92.9Very high95.6Very high30 Ų3012 Ų1214%0.147%0.066CC..THydrogen-bonded Turntrans-57.9-33.7166.9179.5-177.3-179.500112.1Q660 K662 N668 R783 R800 N804Q660-E664 PolarHBondContact O-N 2.95Å; Q660-E664 VanDerWaalsContact O-N 3.1Å; K662-E664 VanDerWaalsContact C-N 3.35Å; E664-N668 PolarHBondContact O-N 3.5Å; E664-N668 VanDerWaalsContact O-N 3.09Å; E664-R783 IonicContact OE1-CZ 3.61Å; E664-R783 IonicContact OE1-NH1 3.28Å; E664-R783 IonicContact OE1-NH2 2.85Å; E664-R783 PolarHBondContact OE1-NH2 2.94Å; E664-R783 IonicContact OE2-CZ 3.95Å; E664-R783 IonicContact OE2-NH1 2.77Å; E664-R783 PolarHBondContact OE2-NH1 3.42Å; E664-R783 IonicContact OE2-NH2 3.56Å; E664-R800 IonicContact OE1-CZ 3.64Å; E664-R800 VanDerWaalsContact OE1-CZ 3.27Å; E664-R800 IonicContact OE1-NH1 3.48Å; E664-R800 PolarHBondContact OE1-NH1 3.37Å; E664-R800 IonicContact OE1-NH2 3.25Å; E664-R800 PolarHBondContact OE1-NH2 3.13Å; E664-R800 IonicContact OE2-CZ 2.72Å; E664-R800 IonicContact OE2-NH1 3.63Å; E664-R800 PolarHBondContact OE2-NH1 3.24Å; E664-R800 IonicContact OE2-NH2 2.84Å; E664-N804 PolarHBondContact OE2-ND2 2.9Å
665Y92.6Very high95.5Very high10 Ų1010.4 Ų10.44%0.0396%0.059CC..THydrogen-bonded Turntrans-74.3161.7-178.9-63.5-88.1000112M298 R302 I303 G661 F663 G667 I784 L785 P786M298-Y665 HydrophobicContact CE-CD1 4.37Å; M298-Y665 HydrophobicContact CE-CE1 3.62Å; M298-Y665 HydrophobicContact CG-CE1 4.08Å; M298-Y665 HydrophobicContact SD-CE1 4.43Å; R302-Y665 HydrophobicContact CB-CD1 4.44Å; I303-Y665 HydrophobicContact CG1-CD1 4.39Å; I303-Y665 HydrophobicContact CG1-CE1 4.21Å; G661-Y665 VanDerWaalsContact O-CD2 3.3Å; G661-Y665 WeakPolarHBondContact O-CD2 3.04Å; G661-Y665 WeakPolarHBondContact O-CE2 3.43Å; F663-Y665 PolarHBondContact O-N 3.48Å; Y665-G667 VanDerWaalsContact C-N 3.3Å; Y665-I784 PolarHBondContact OH-O 3.18Å; Y665-L785 WeakPolarHBondContact OH-CD2 3.36Å; Y665-P786 HydrophobicContact CD1-CG 4.28Å; Y665-P786 HydrophobicContact CD2-CG 3.51Å; Y665-P786 HydrophobicContact CE1-CG 4.18Å; Y665-P786 HydrophobicContact CE2-CG 3.4Å; Y665-P786 HydrophobicContact CG-CG 3.97Å; Y665-P786 VanDerWaalsContact OH-CD 3.24Å; Y665-P786 WeakPolarHBondContact OH-CD 3.11Å
666N93.9Very high95.2Very high1 Ų113.2 Ų13.21%0.0057%0.072CC..THydrogen-bonded Turntrans61.736.6-171.2-16139.7000113R302 S306 Q307 C669 Y671 L672R302-N666 PolarHBondContact O-N 3.43Å; S306-N666 PolarHBondContact N-OD1 3.2Å; Q307-N666 HydrophobicContact CG-CB 4.39Å; Q307-N666 PolarHBondContact N-OD1 3.4Å; N666-C669 PolarHBondContact ND2-SG 3.26Å; N666-C669 VanDerWaalsContact ND2-SG 3.43Å; N666-C669 WeakPolarHBondContact O-CB 3.31Å; N666-C669 PolarHBondContact O-SG 3.11Å; N666-Y671 PolarHBondContact ND2-O 3.36Å; N666-L672 HydrophobicContact CB-CD2 3.84Å
667G90.4Very high94.7Very high21 Ų2113.8 Ų13.822%0.2168%0.075CC..THydrogen-bonded Turntrans71.738174.200000113.7I303 Y665 C669I303-G667 VanDerWaalsContact O-CA 3.28Å; I303-G667 WeakPolarHBondContact O-CA 3.35Å; I303-G667 PolarHBondContact O-N 2.9Å; Y665-G667 VanDerWaalsContact C-N 3.3Å; G667-C669 PolarHBondContact O-N 2.85Å
668N92.6Very high94.5Very high35 Ų3513.3 Ų13.319%0.1877%0.073CC..THydrogen-bonded Turntrans47.428.4-178.4-164.131.4000114.1T395 F663 E664 G670T395-N668 WeakPolarHBondContact CG2-ND2 3.43Å; F663-N668 WeakPolarHBondContact O-CA 3.49Å; E664-N668 PolarHBondContact O-N 3.5Å; E664-N668 VanDerWaalsContact O-N 3.09Å; N668-G670 PolarHBondContact O-N 3.18Å
669C95.9Very high94.4Very high4 Ų414.5 Ų14.53%0.0278%0.077CC..  trans-80.6-10-166.176.80000112.7L305 S396 Y398 N666 G667 Y671L305-C669 HydrophobicContact CD1-CB 4.21Å; S396-C669 WeakPolarHBondContact CB-O 3.24Å; S396-C669 PolarHBondContact OG-O 3.43Å; Y398-C669 HydrophobicContact CD2-CB 3.69Å; Y398-C669 HydrophobicContact CE2-CB 3.86Å; N666-C669 PolarHBondContact ND2-SG 3.26Å; N666-C669 VanDerWaalsContact ND2-SG 3.43Å; N666-C669 WeakPolarHBondContact O-CB 3.31Å; N666-C669 PolarHBondContact O-SG 3.11Å; G667-C669 PolarHBondContact O-N 2.85Å; C669-Y671 VanDerWaalsContact C-N 3.34Å; C669-Y671 PolarHBondContact SG-O 3.5Å; C669-Y671 VanDerWaalsContact SG-O 3.36Å
670G97.4Very high94.2Very high0 Ų020.2 Ų20.20%010%0.099CC..SBendtrans82.45.1-179.600000115.1I318 N319 G347 N668I318-G670 WeakPolarHBondContact CA-O 3.4Å; N319-G670 PolarHBondContact N-O 3.14Å; G347-G670 WeakPolarHBondContact O-CA 3.49Å; N668-G670 PolarHBondContact O-N 3.18Å
671Y98.5Very high93.9Very high1 Ų125.1 Ų25.10%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-126.7127.9177.7-72.9-92.8000110.7M309 L313 Y316 L317 I318 R349 Y398 P399 P447 N666 C669M309-Y671 HydrophobicContact CE-CG 4.32Å; L313-Y671 HydrophobicContact CD2-CE1 3.65Å; Y316-Y671 HydrophobicContact CG-CD1 4.25Å; L317-Y671 WeakPolarHBondContact O-CA 3.45Å; I318-Y671 HydrophobicContact CB-CE1 4.36Å; I318-Y671 HydrophobicContact CD1-CD1 4.5Å; I318-Y671 HydrophobicContact CD1-CE1 3.79Å; I318-Y671 HydrophobicContact CG1-CD1 3.9Å; I318-Y671 HydrophobicContact CG1-CE1 3.61Å; I318-Y671 HydrophobicContact CG2-CE1 4.02Å; R349-Y671 HydrophobicContact CB-CE2 3.77Å; R349-Y671 HydrophobicContact CG-CD2 3.9Å; R349-Y671 HydrophobicContact CG-CE2 3.46Å; R349-Y671 VanDerWaalsContact CG-CE2 3.46Å; Y398-Y671 HydrophobicContact CG-CD2 4.23Å; P399-Y671 HydrophobicContact CG-CE2 4.37Å; P399-Y671 WeakPolarHBondContact O-CE2 3.27Å; P399-Y671 PolarHBondContact O-OH 3.25Å; P447-Y671 HydrophobicContact CG-CD1 4.15Å; P447-Y671 HydrophobicContact CG-CE1 4.43Å; N666-Y671 PolarHBondContact ND2-O 3.36Å; C669-Y671 VanDerWaalsContact C-N 3.34Å; C669-Y671 PolarHBondContact SG-O 3.5Å; C669-Y671 VanDerWaalsContact SG-O 3.36Å
672L97.5Very high93.7Very high13 Ų1331.2 Ų31.27%0.06816%0.164CC..EExtended strand (participates in β ladder)trans-124.2122.1174.6-61.9172.3000109.5Y316 L317 K662 F663 N666 K674Y316-L672 CarbonylContact C-O 3.52Å; Y316-L672 VanDerWaalsContact CA-O 3.24Å; Y316-L672 WeakPolarHBondContact CA-O 3.42Å; L317-L672 HydrophobicContact CB-CB 4.36Å; L317-L672 PolarHBondContact N-O 3.15Å; L317-L672 PolarHBondContact O-N 3.11Å; K662-L672 HydrophobicContact CD-CD1 4.29Å; K662-L672 HydrophobicContact CG-CD1 3.78Å; K662-L672 WeakPolarHBondContact O-CD1 3.46Å; F663-L672 HydrophobicContact CD1-CD1 3.73Å; F663-L672 HydrophobicContact CD1-CG 3.78Å; F663-L672 HydrophobicContact CE1-CB 4.41Å; F663-L672 HydrophobicContact CE1-CD1 3.82Å; F663-L672 HydrophobicContact CE1-CG 3.84Å; F663-L672 HydrophobicContact CG-CD1 4.28Å; F663-L672 HydrophobicContact CZ-CD1 4.43Å; N666-L672 HydrophobicContact CB-CD2 3.84Å; L672-K674 PolarHBondContact O-N 2.99Å
673L97.7Very high93.4Very high39 Ų3934.8 Ų34.820%0.20418%0.177CC..EExtended strand (participates in β ladder)trans-64.1130.2177.5-174.766.3000110.2Q307 D308 Q311 H315 Y316Q307-L673 HydrophobicContact CB-CB 4.28Å; D308-L673 HydrophobicContact CB-CD2 4.15Å; Q311-L673 HydrophobicContact CB-CD1 4.01Å; Q311-L673 HydrophobicContact CG-CD1 3.81Å; H315-L673 HydrophobicContact CB-CD1 4.2Å; Y316-L673 HydrophobicContact CD1-CB 4.1Å; Y316-L673 HydrophobicContact CD1-CD1 4.07Å; Y316-L673 HydrophobicContact CE1-CB 4.07Å; Y316-L673 HydrophobicContact CE1-CD1 3.71Å; Y316-L673 HydrophobicContact CE1-CG 4.48Å; Y316-L673 HydrophobicContact CE2-CD1 4.43Å
674K96.8Very high93Very high4 Ų440.9 Ų40.92%0.01721%0.209CC..PPolyproline II helixtrans-69.1153.4176.2-69-173-70.5-179.50111.3S314 H315 L317 N613 G641 L672 M678 R679S314-K674 WeakPolarHBondContact O-CE 3.14Å; S314-K674 PolarHBondContact O-NZ 3.23Å; H315-K674 VanDerWaalsContact C-CE 3.48Å; H315-K674 VanDerWaalsContact O-CB 3.28Å; H315-K674 WeakPolarHBondContact O-CB 3.44Å; H315-K674 WeakPolarHBondContact O-CG 3.39Å; H315-K674 PolarHBondContact O-N 3.31Å; L317-K674 HydrophobicContact CD2-CD 3.93Å; L317-K674 HydrophobicContact CD2-CG 3.81Å; L317-K674 HydrophobicContact CG-CG 3.97Å; N613-K674 PolarHBondContact O-NZ 3.01Å; G641-K674 PolarHBondContact O-NZ 2.93Å; L672-K674 PolarHBondContact O-N 2.99Å; K674-M678 HydrophobicContact CB-CB 4.28Å; K674-R679 HydrophobicContact CB-CG 3.98Å; K674-R679 VanDerWaalsContact O-CD 3.22Å; K674-R679 WeakPolarHBondContact O-CD 3.27Å; K674-R679 PolarHBondContact O-NE 3.38Å
675P92.8Very high92.8Very high9 Ų939.6 Ų39.66%0.05820%0.203CC..PPolyproline II helixtrans-54150.7171.6-28.336.6000113.5F677 M678 E764 L765P675-F677 HydrophobicContact CB-CD1 4.11Å; P675-F677 HydrophobicContact CB-CE1 3.32Å; P675-F677 HydrophobicContact CB-CE2 4Å; P675-F677 HydrophobicContact CB-CZ 3.22Å; P675-F677 HydrophobicContact CG-CE1 4.37Å; P675-F677 HydrophobicContact CG-CZ 3.89Å; P675-F677 PolarHBondContact O-N 3.01Å; P675-M678 HydrophobicContact CB-CG 4.49Å; P675-M678 HydrophobicContact CG-SD 4.27Å; P675-M678 WeakPolarHBondContact O-CB 3.47Å; P675-M678 PolarHBondContact O-N 3.12Å; P675-E764 WeakPolarHBondContact CB-OE2 3.13Å; P675-E764 HydrophobicContact CG-CB 4.2Å; P675-L765 HydrophobicContact CG-CD1 3.92Å
676D90.6Very high92.7Very high64 Ų6442 Ų4234%0.34222%0.216SC..G310 helixtrans-51.3-45.6-173.4-89.441.3000114.6M678 R679 R680D676-M678 VanDerWaalsContact C-N 3.26Å; D676-M678 PolarHBondContact O-N 2.97Å; D676-R679 VanDerWaalsContact CG-NH2 3.29Å; D676-R679 PolarHBondContact O-N 2.87Å; D676-R679 VanDerWaalsContact O-N 3.09Å; D676-R679 IonicContact OD1-CZ 3.74Å; D676-R679 IonicContact OD1-NH2 3.27Å; D676-R679 PolarHBondContact OD1-NH2 3.26Å; D676-R679 IonicContact OD2-NH2 2.98Å; D676-R680 WeakPolarHBondContact O-CG 3.33Å; D676-R680 PolarHBondContact O-N 2.94Å; D676-R680 IonicContact OD2-CZ 3.94Å; D676-R680 IonicContact OD2-NE 3.54Å; D676-R680 PolarHBondContact OD2-NE 2.89Å; D676-R680 IonicContact OD2-NH2 2.81Å; D676-R680 PolarHBondContact OD2-NH2 3.25Å
677F87.3Confident92.4Very high15 Ų1542.1 Ų42.17%0.06622%0.217CC..G310 helixtrans-69.4-21.7-177.750.7-89.7000113.2P675 R679 R683 F685 V696 L762P675-F677 HydrophobicContact CB-CD1 4.11Å; P675-F677 HydrophobicContact CB-CE1 3.32Å; P675-F677 HydrophobicContact CB-CE2 4Å; P675-F677 HydrophobicContact CB-CZ 3.22Å; P675-F677 HydrophobicContact CG-CE1 4.37Å; P675-F677 HydrophobicContact CG-CZ 3.89Å; P675-F677 PolarHBondContact O-N 3.01Å; F677-R679 PolarHBondContact O-N 3.24Å; F677-R683 HydrophobicContact CB-CB 4.34Å; F677-F685 HydrophobicContact CD2-CB 4.08Å; F677-F685 HydrophobicContact CD2-CD1 4.11Å; F677-F685 AromaticContact CD2-CD2 3.81Å; F677-F685 HydrophobicContact CD2-CD2 3.81Å; F677-F685 HydrophobicContact CD2-CE2 4.31Å; F677-F685 AromaticContact CD2-CG 3.71Å; F677-F685 HydrophobicContact CD2-CG 3.71Å; F677-F685 HydrophobicContact CE2-CD1 4.16Å; F677-F685 AromaticContact CE2-CD2 3.99Å; F677-F685 HydrophobicContact CE2-CD2 3.99Å; F677-F685 HydrophobicContact CE2-CE1 4.16Å; F677-F685 HydrophobicContact CE2-CE2 4.02Å; F677-F685 HydrophobicContact CE2-CG 4.08Å; F677-F685 HydrophobicContact CE2-CZ 4.09Å; F677-V696 HydrophobicContact CD1-CG2 3.57Å; F677-V696 HydrophobicContact CE1-CG2 3.54Å; F677-V696 HydrophobicContact CZ-CG2 4.49Å; F677-L762 HydrophobicContact CE1-CD1 3.56Å; F677-L762 HydrophobicContact CE2-CD1 3.9Å; F677-L762 HydrophobicContact CE2-CD2 3.86Å; F677-L762 HydrophobicContact CE2-CG 4.48Å; F677-L762 HydrophobicContact CZ-CD1 3.12Å; F677-L762 HydrophobicContact CZ-CD2 3.55Å; F677-L762 HydrophobicContact CZ-CG 3.77Å
678M92.8Very high92.4Very high1 Ų146 Ų461%0.00523%0.228CC..G310 helixtrans-84.31.2173.6-57.1-173.974.100113.2K614 W638 N639 K674 P675 D676 F685 L765K614-M678 WeakPolarHBondContact CG-O 3.21Å; W638-M678 WeakPolarHBondContact O-CE 3.41Å; N639-M678 WeakPolarHBondContact O-CE 3.48Å; K674-M678 HydrophobicContact CB-CB 4.28Å; P675-M678 HydrophobicContact CB-CG 4.49Å; P675-M678 HydrophobicContact CG-SD 4.27Å; P675-M678 WeakPolarHBondContact O-CB 3.47Å; P675-M678 PolarHBondContact O-N 3.12Å; D676-M678 VanDerWaalsContact C-N 3.26Å; D676-M678 PolarHBondContact O-N 2.97Å; M678-F685 HydrophobicContact CG-CD1 4.18Å; M678-F685 HydrophobicContact CG-CE1 4.45Å; M678-L765 HydrophobicContact SD-CD1 4.28Å
679R95Very high92Very high27 Ų2746 Ų4610%0.10223%0.23CC..THydrogen-bonded Turntrans-120.6-40.3-178.4-62.1-175.5-65.1109-10.4111.8H315 K674 D676 F677H315-R679 HydrophobicContact CB-CG 3.95Å; K674-R679 HydrophobicContact CB-CG 3.98Å; K674-R679 VanDerWaalsContact O-CD 3.22Å; K674-R679 WeakPolarHBondContact O-CD 3.27Å; K674-R679 PolarHBondContact O-NE 3.38Å; D676-R679 VanDerWaalsContact CG-NH2 3.29Å; D676-R679 PolarHBondContact O-N 2.87Å; D676-R679 VanDerWaalsContact O-N 3.09Å; D676-R679 IonicContact OD1-CZ 3.74Å; D676-R679 IonicContact OD1-NH2 3.27Å; D676-R679 PolarHBondContact OD1-NH2 3.26Å; D676-R679 IonicContact OD2-NH2 2.98Å; F677-R679 PolarHBondContact O-N 3.24Å
680R92.8Very high91.3Very high121 Ų12152.6 Ų52.646%0.45726%0.261SS..  trans-67.2128.7-176.6-71-179.2-170.1-1626.2111.4K614 D676 N682 R683K614-R680 VanDerWaalsContact CE-O 3.29Å; K614-R680 WeakPolarHBondContact CE-O 3.31Å; K614-R680 PolarHBondContact NZ-O 3.09Å; D676-R680 WeakPolarHBondContact O-CG 3.33Å; D676-R680 PolarHBondContact O-N 2.94Å; D676-R680 IonicContact OD2-CZ 3.94Å; D676-R680 IonicContact OD2-NE 3.54Å; D676-R680 PolarHBondContact OD2-NE 2.89Å; D676-R680 IonicContact OD2-NH2 2.81Å; D676-R680 PolarHBondContact OD2-NH2 3.25Å; R680-N682 VanDerWaalsContact C-N 3.28Å; R680-N682 PolarHBondContact O-N 2.99Å; R680-R683 HydrophobicContact CB-CB 4.3Å; R680-R683 HydrophobicContact CB-CG 4.09Å; R680-R683 PolarHBondContact O-N 3.25Å
681P89.3Confident90.4Very high117 Ų11756.2 Ų56.276%0.7629%0.286SS*.THydrogen-bonded Turntrans-66.8-29.9-177.524.9-33.1000112.7R683P681-R683 PolarHBondContact O-N 3.21Å
682N89.6Confident89.2Confident128 Ų12859.1 Ų59.168%0.68431%0.305SS*.THydrogen-bonded Turntrans-87.24.3-177.167.9-29.4000115R680R680-N682 VanDerWaalsContact C-N 3.28Å; R680-N682 PolarHBondContact O-N 2.99Å
683R89Confident88.2Confident89 Ų8959.4 Ų59.434%0.33631%0.307SS..  trans-109.6127179-73-63.2-166.41755110.2K614 F677 R680 P681 D694K614-R683 PolarHBondContact NZ-O 2.57Å; F677-R683 HydrophobicContact CB-CB 4.34Å; R680-R683 HydrophobicContact CB-CB 4.3Å; R680-R683 HydrophobicContact CB-CG 4.09Å; R680-R683 PolarHBondContact O-N 3.25Å; P681-R683 PolarHBondContact O-N 3.21Å; R683-D694 IonicContact CZ-OD2 2.87Å; R683-D694 IonicContact NH1-OD2 3.77Å; R683-D694 PolarHBondContact NH1-OD2 3.4Å; R683-D694 IonicContact NH2-OD2 3.76Å
684I86.8Confident87.2Confident130 Ų13063.2 Ų63.267%0.66733%0.328SS*.  trans-94.4138.4171.6-59.2174.6000107.8I607I607-I684 HydrophobicContact CG2-CG2 3.58Å
685F88.8Confident86.3Confident3 Ų366.4 Ų66.41%0.01336%0.362CS..  trans-136.9125.3179.6171.8-113.6000109.5V610 F677 M678 P687 V693 L727 L762V610-F685 HydrophobicContact CG1-CB 4.28Å; V610-F685 HydrophobicContact CG1-CD1 4.09Å; V610-F685 HydrophobicContact CG2-CD1 4.17Å; F677-F685 HydrophobicContact CD2-CB 4.08Å; F677-F685 HydrophobicContact CD2-CD1 4.11Å; F677-F685 AromaticContact CD2-CD2 3.81Å; F677-F685 HydrophobicContact CD2-CD2 3.81Å; F677-F685 HydrophobicContact CD2-CE2 4.31Å; F677-F685 AromaticContact CD2-CG 3.71Å; F677-F685 HydrophobicContact CD2-CG 3.71Å; F677-F685 HydrophobicContact CE2-CD1 4.16Å; F677-F685 AromaticContact CE2-CD2 3.99Å; F677-F685 HydrophobicContact CE2-CD2 3.99Å; F677-F685 HydrophobicContact CE2-CE1 4.16Å; F677-F685 HydrophobicContact CE2-CE2 4.02Å; F677-F685 HydrophobicContact CE2-CG 4.08Å; F677-F685 HydrophobicContact CE2-CZ 4.09Å; M678-F685 HydrophobicContact CG-CD1 4.18Å; M678-F685 HydrophobicContact CG-CE1 4.45Å; F685-P687 HydrophobicContact CE1-CB 3.96Å; F685-P687 HydrophobicContact CZ-CB 4.31Å; F685-V693 HydrophobicContact CD2-CG1 4.2Å; F685-V693 HydrophobicContact CD2-CG2 3.89Å; F685-V693 HydrophobicContact CE2-CG2 3.65Å; F685-L727 HydrophobicContact CE1-CD2 4.45Å; F685-L727 HydrophobicContact CE2-CD1 4.31Å; F685-L727 HydrophobicContact CZ-CD1 4.01Å; F685-L727 HydrophobicContact CZ-CD2 3.78Å; F685-L762 HydrophobicContact CZ-CD2 4.12Å
686D90.3Very high86Confident61 Ų6167.2 Ų67.233%0.32637%0.367SS..  trans-99.9115.2170.6-178.3-3.7000109I607 F688 S689I607-D686 HydrophobicContact CD1-CB 4.09Å; I607-D686 HydrophobicContact CG1-CB 3.99Å; D686-F688 PolarHBondContact O-N 2.79Å; D686-F688 VanDerWaalsContact O-N 3.15Å; D686-F688 PolarHBondContact OD1-N 2.86Å; D686-S689 WeakPolarHBondContact O-CB 3.35Å; D686-S689 PolarHBondContact O-N 2.97Å; D686-S689 VanDerWaalsContact O-N 3.12Å
687P89.5Confident85.8Confident2 Ų268.9 Ų68.91%0.01338%0.379CS..THydrogen-bonded Turntrans-66.7-10.4179.628-33.6000114A606 V610 N639 F685 P728A606-P687 HydrophobicContact CB-CG 3.8Å; V610-P687 HydrophobicContact CG2-CG 4.26Å; N639-P687 HydrophobicContact CB-CB 4.12Å; F685-P687 HydrophobicContact CE1-CB 3.96Å; F685-P687 HydrophobicContact CZ-CB 4.31Å; P687-P728 WeakPolarHBondContact O-CD 3.47Å
688F90.2Very high86Confident103 Ų10368.5 Ų68.545%0.45238%0.378SS..THydrogen-bonded Turntrans-101.64.1175.7-63.3-85.9000113.4L602 A606 D686 E690 P728L602-F688 HydrophobicContact CD2-CE2 4.3Å; L602-F688 WeakPolarHBondContact O-CE2 3.42Å; A606-F688 HydrophobicContact CB-CD2 3.99Å; A606-F688 HydrophobicContact CB-CE2 3.81Å; D686-F688 PolarHBondContact O-N 2.79Å; D686-F688 VanDerWaalsContact O-N 3.15Å; D686-F688 PolarHBondContact OD1-N 2.86Å; F688-E690 PolarHBondContact O-N 3.11Å; F688-P728 HydrophobicContact CD1-CB 4.33Å; F688-P728 HydrophobicContact CD1-CG 3.75Å; F688-P728 HydrophobicContact CE1-CG 3.82Å
689S83.2Confident86Confident34 Ų3468.5 Ų68.524%0.23838%0.379CS..  trans-62124.5177.2176.50000111.7D686 S691D686-S689 WeakPolarHBondContact O-CB 3.35Å; D686-S689 PolarHBondContact O-N 2.97Å; D686-S689 VanDerWaalsContact O-N 3.12Å; S689-S691 PolarHBondContact OG-N 3.3Å; S689-S691 PolarHBondContact OG-O 3.49Å
690E82.1Confident86Confident144 Ų14470.2 Ų70.267%0.67339%0.386SS*.  trans-83.1-16.3171.4-62.9179.7-172.500112.5F688 K759F688-E690 PolarHBondContact O-N 3.11Å; E690-K759 PolarHBondContact O-NZ 2.85Å
691S76.8Confident86.2Confident76 Ų7664.5 Ų64.553%0.53136%0.364SS..SBendtrans-87145.9179.3-67.70000111.2S689 V693S689-S691 PolarHBondContact OG-N 3.3Å; S689-S691 PolarHBondContact OG-O 3.49Å; S691-V693 PolarHBondContact O-N 3.47Å
692P74.4Confident86.6Confident61 Ų6159.3 Ų59.340%0.39633%0.331SS..PPolyproline II helixtrans-50.6130.6172.2-24.234.2000110.8
693V76.8Confident86.9Confident19 Ų1953.2 Ų53.212%0.11530%0.298CS..PPolyproline II helixtrans-71.4133.6179-177.80000108.7F685 S691 G695 V696 V761 L762F685-V693 HydrophobicContact CD2-CG1 4.2Å; F685-V693 HydrophobicContact CD2-CG2 3.89Å; F685-V693 HydrophobicContact CE2-CG2 3.65Å; S691-V693 PolarHBondContact O-N 3.47Å; V693-G695 PolarHBondContact O-N 2.9Å; V693-V696 HydrophobicContact CB-CB 4.19Å; V693-V696 HydrophobicContact CB-CG2 3.99Å; V693-V696 HydrophobicContact CG1-CG2 4.16Å; V693-V696 PolarHBondContact O-N 3.37Å; V693-V761 HydrophobicContact CG2-CG1 4.43Å; V693-L762 HydrophobicContact CG2-CD1 4.49Å
694D75.3Confident87.4Confident120 Ų12053.1 Ų53.164%0.64230%0.298SS*.THydrogen-bonded Turntrans-55.1127.1177.4178.744.6000111.4R683 V696R683-D694 IonicContact CZ-OD2 2.87Å; R683-D694 IonicContact NH1-OD2 3.77Å; R683-D694 PolarHBondContact NH1-OD2 3.4Å; R683-D694 IonicContact NH2-OD2 3.76Å; D694-V696 VanDerWaalsContact C-N 3.34Å
695G79.7Confident87.9Confident71 Ų7147 Ų4773%0.73227%0.267SS*.THydrogen-bonded Turntrans82.8-0.8-175.300000115.7V693V693-G695 PolarHBondContact O-N 2.9Å
696V84.8Confident88.3Confident25 Ų2547.3 Ų47.315%0.15227%0.268CS..  trans-108.3129.8173.7-175.40000110.4F677 V693 D694 A698 L762F677-V696 HydrophobicContact CD1-CG2 3.57Å; F677-V696 HydrophobicContact CE1-CG2 3.54Å; F677-V696 HydrophobicContact CZ-CG2 4.49Å; V693-V696 HydrophobicContact CB-CB 4.19Å; V693-V696 HydrophobicContact CB-CG2 3.99Å; V693-V696 HydrophobicContact CG1-CG2 4.16Å; V693-V696 PolarHBondContact O-N 3.37Å; D694-V696 VanDerWaalsContact C-N 3.34Å; V696-A698 PolarHBondContact O-N 3.31Å; V696-L762 HydrophobicContact CB-CD1 4.34Å; V696-L762 HydrophobicContact CG1-CD1 3.78Å; V696-L762 HydrophobicContact CG2-CD1 4.05Å
697V87.4Confident88.6Confident100 Ų10044.5 Ų44.561%0.60625%0.253SS*.  trans-84.9109.2175.9-177.20000109.1T820V697-T820 HydrophobicContact CG1-CG2 3.46Å; V697-T820 VanDerWaalsContact CG1-CG2 3.46Å
698A91.5Very high88.8Confident6 Ų644.4 Ų44.45%0.0525%0.253CS..  trans-63148.317300000111V696 V760 Y821V696-A698 PolarHBondContact O-N 3.31Å; A698-V760 CarbonylContact C-O 3.51Å; A698-V760 VanDerWaalsContact CA-O 3.26Å; A698-V760 WeakPolarHBondContact CA-O 3.47Å; A698-V760 WeakPolarHBondContact CB-O 3.48Å; A698-Y821 HydrophobicContact CB-CD1 4.01Å; A698-Y821 HydrophobicContact CB-CG 4.35Å; A698-Y821 PolarHBondContact O-N 2.96Å
699A93.3Very high88.9Confident2 Ų239.8 Ų39.82%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-112.8155.2-178.500000112.4V760 P763 L787 K819A699-V760 HydrophobicContact CB-CB 4.39Å; A699-V760 PolarHBondContact N-O 3.45Å; A699-V760 PolarHBondContact O-N 3.34Å; A699-P763 HydrophobicContact CB-CB 4.1Å; A699-P763 HydrophobicContact CB-CG 3.43Å; A699-P763 VanDerWaalsContact CB-CG 3.43Å; A699-L787 HydrophobicContact CB-CD2 4.37Å; A699-K819 WeakPolarHBondContact CA-O 3.4Å
700Y94.6Very high89.2Confident63 Ų6339.1 Ų39.125%0.24723%0.225CC..EExtended strand (participates in β ladder)trans-105.4132.1161.9171.8-82.5000107.8V756 R758 V817 L818 K819Y700-V756 HydrophobicContact CE2-CG1 3.59Å; Y700-V756 WeakPolarHBondContact OH-CG1 3.44Å; Y700-R758 WeakPolarHBondContact CD2-O 3.4Å; Y700-V817 HydrophobicContact CE1-CG1 4.33Å; Y700-L818 WeakPolarHBondContact O-CA 3.24Å; Y700-K819 HydrophobicContact CD1-CB 4.32Å; Y700-K819 PolarHBondContact N-O 3.4Å; Y700-K819 PolarHBondContact O-N 2.83Å
701C96.8Very high89.6Confident0 Ų032.7 Ų32.70%020%0.196CC..EExtended strand (participates in β ladder)trans-130.3133.1175.5178.90000110M724 F757 L787 V817 L818C701-M724 HydrophobicContact CB-CE 4.32Å; C701-F757 HydrophobicContact CB-CB 4.16Å; C701-F757 PolarHBondContact N-O 3.07Å; C701-F757 CarbonylContact O-C 3.54Å; C701-F757 WeakPolarHBondContact O-CA 3.48Å; C701-F757 WeakPolarHBondContact O-CB 3.34Å; C701-F757 PolarHBondContact O-N 3.41Å; C701-L787 HydrophobicContact CB-CD1 4.21Å; C701-V817 CarbonylContact C-O 3.57Å; C701-V817 WeakPolarHBondContact CA-O 3.32Å; C701-L818 HydrophobicContact CB-CD2 3.82Å
702S96.9Very high90Very high8 Ų830.1 Ų30.16%0.05618%0.178CC..EExtended strand (participates in β ladder)trans-135.6135.2175.9168.70000110.1P754 F755 I816 V817S702-P754 VanDerWaalsContact OG-CB 3.27Å; S702-P754 WeakPolarHBondContact OG-CB 3.37Å; S702-F755 CarbonylContact C-O 3.5Å; S702-F755 VanDerWaalsContact CA-O 3.25Å; S702-F755 WeakPolarHBondContact CA-O 3.02Å; S702-I816 CarbonylContact O-C 3.6Å; S702-I816 WeakPolarHBondContact O-CA 3.1Å; S702-V817 PolarHBondContact N-O 2.99Å; S702-V817 PolarHBondContact O-N 3.37Å
703I97.7Very high90.1Very high0 Ų031.3 Ų31.30%018%0.181CC..EExtended strand (participates in β ladder)trans-131.2115.8-171.4-61.2171000108.8V705 V722 P754 F755 F757 L768 F770I703-V705 HydrophobicContact CG2-CG2 4.42Å; I703-V722 HydrophobicContact CD1-CG1 3.65Å; I703-V722 HydrophobicContact CG2-CG1 4.29Å; I703-V722 HydrophobicContact CG2-CG2 4.44Å; I703-P754 CarbonylContact O-C 3.5Å; I703-P754 WeakPolarHBondContact O-CA 3.44Å; I703-F755 PolarHBondContact N-O 3.11Å; I703-F755 PolarHBondContact O-N 2.86Å; I703-F757 HydrophobicContact CD1-CD2 4.49Å; I703-F757 HydrophobicContact CD1-CE2 3.91Å; I703-F757 HydrophobicContact CG1-CE2 4.47Å; I703-L768 HydrophobicContact CD1-CD1 3.57Å; I703-L768 HydrophobicContact CD1-CD2 3.46Å; I703-L768 VanDerWaalsContact CD1-CD2 3.46Å; I703-L768 HydrophobicContact CD1-CG 4.09Å; I703-F770 HydrophobicContact CD1-CE1 4.38Å; I703-F770 HydrophobicContact CD1-CZ 3.89Å; I703-F770 HydrophobicContact CG2-CE1 3.71Å; I703-F770 HydrophobicContact CG2-CZ 4.17Å
704R97.7Very high90.4Very high88 Ų8836.9 Ų36.933%0.33220%0.203SC..EExtended strand (participates in β ladder)trans-102.3113.8170.4-173.3176.2-176.2174.2-0.9109.4I706 N751 E752 P754 C814 H815R704-I706 HydrophobicContact CG-CG1 4.25Å; R704-I706 PolarHBondContact O-N 3.22Å; R704-N751 PolarHBondContact NH2-OD1 2.93Å; R704-E752 VanDerWaalsContact CG-O 3.27Å; R704-E752 WeakPolarHBondContact CG-O 3.22Å; R704-E752 PolarHBondContact NE-O 3.25Å; R704-P754 HydrophobicContact CB-CB 4.17Å; R704-C814 CarbonylContact O-C 3.2Å; R704-C814 VanDerWaalsContact O-CA 3.24Å; R704-C814 WeakPolarHBondContact O-CA 3.41Å; R704-H815 HydrophobicContact CB-CB 4.23Å; R704-H815 PolarHBondContact N-O 2.98Å; R704-H815 PolarHBondContact O-N 2.78Å
705V97.9Very high90.8Very high2 Ų238 Ų381%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-80.5110.6172.2-173.80000108.2I703 V720 V722 T738 Y750 F755I703-V705 HydrophobicContact CG2-CG2 4.42Å; V705-V720 HydrophobicContact CG1-CB 4.08Å; V705-V720 HydrophobicContact CG1-CG1 4.17Å; V705-V720 HydrophobicContact CG1-CG2 3.97Å; V705-V720 HydrophobicContact CG2-CG1 4.26Å; V705-V722 HydrophobicContact CG2-CG2 3.71Å; V705-T738 HydrophobicContact CB-CG2 3.93Å; V705-T738 HydrophobicContact CG1-CG2 4.18Å; V705-T738 HydrophobicContact CG2-CG2 4.3Å; V705-Y750 HydrophobicContact CG1-CD2 3.75Å; V705-Y750 HydrophobicContact CG1-CE2 4.27Å; V705-Y750 HydrophobicContact CG1-CG 4.45Å; V705-F755 HydrophobicContact CG2-CD2 4.3Å; V705-F755 HydrophobicContact CG2-CE2 3.84Å
706I97.2Very high91.3Very high9 Ų935.8 Ų35.85%0.04617%0.174CC..EExtended strand (participates in β ladder)trans-89.8-54.1-173.5-61.4169.5000109.7D215 I219 R704 Y750 N751 Y794 F813 H815D215-I706 HydrophobicContact CB-CG2 3.88Å; I219-I706 HydrophobicContact CD1-CD1 4.17Å; R704-I706 HydrophobicContact CG-CG1 4.25Å; R704-I706 PolarHBondContact O-N 3.22Å; I706-Y750 PolarHBondContact O-N 2.94Å; I706-N751 PolarHBondContact O-N 2.89Å; I706-Y794 HydrophobicContact CD1-CD1 3.86Å; I706-Y794 HydrophobicContact CD1-CE1 3.81Å; I706-F813 HydrophobicContact CB-CD1 3.95Å; I706-F813 WeakPolarHBondContact CB-O 3.37Å; I706-F813 HydrophobicContact CD1-CD1 3.95Å; I706-F813 HydrophobicContact CD1-CE1 3.77Å; I706-F813 HydrophobicContact CG2-CD1 4.02Å; I706-F813 HydrophobicContact CG2-CE1 4.43Å; I706-F813 PolarHBondContact N-O 3.09Å; I706-H815 HydrophobicContact CD1-CB 3.99Å
707S96.8Very high91.7Very high2 Ų234.6 Ų34.61%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-156167.5-175.364.50000111.9D215 Q709 P748 F813D215-S707 WeakPolarHBondContact OD2-CB 3.36Å; D215-S707 PolarHBondContact OD2-OG 3.49Å; S707-Q709 PolarHBondContact OG-NE2 3.21Å; S707-P748 CarbonylContact C-O 3.45Å; S707-P748 WeakPolarHBondContact CA-O 3.14Å; S707-P748 WeakPolarHBondContact CB-O 3.49Å; S707-F813 PolarHBondContact N-O 3.33Å; S707-F813 PolarHBondContact O-N 3.47Å; S707-F813 WeakPolarHBondContact OG-CB 3.34Å
708G94.3Very high92.1Very high0 Ų029.8 Ų29.80%014%0.137CC..EExtended strand (participates in β ladder)trans-121.8161.8166.700000111.5N747 P748 T811G708-N747 CarbonylContact O-C 3.56Å; G708-N747 VanDerWaalsContact O-CA 3.26Å; G708-N747 WeakPolarHBondContact O-CA 2.95Å; G708-P748 PolarHBondContact N-O 3.4Å; G708-P748 WeakPolarHBondContact O-CD 2.7Å; G708-T811 CarbonylContact C-O 3.59Å; G708-T811 VanDerWaalsContact CA-O 3.32Å; G708-T811 WeakPolarHBondContact CA-O 3.45Å
709Q91.2Very high92.4Very high6 Ų630.7 Ų30.73%0.02814%0.14CC..EExtended strand (participates in β ladder)trans-134.3133.1179-62.478.455.300109.3S707 L711 L746 P810 T811S707-Q709 PolarHBondContact OG-NE2 3.21Å; Q709-L711 PolarHBondContact O-N 3.43Å; Q709-L711 VanDerWaalsContact O-N 3.12Å; Q709-L746 CarbonylContact C-O 3.41Å; Q709-L746 WeakPolarHBondContact CA-O 3.41Å; Q709-P810 WeakPolarHBondContact O-CA 3.49Å; Q709-T811 PolarHBondContact N-O 3.27Å; Q709-T811 PolarHBondContact O-N 3.43Å; Q709-T811 PolarHBondContact OE1-O 3.14Å
710F89.3Confident92.6Very high19 Ų1930.6 Ų30.68%0.08314%0.139CC..SBendtrans49.337.7176.1-53.8-83.1000114.1F167 F207 I210 C211 S712 L746 L809 P810F167-F710 HydrophobicContact CD1-CD1 4.4Å; F167-F710 AromaticContact CD1-CE1 3.73Å; F167-F710 HydrophobicContact CD1-CE1 3.73Å; F167-F710 HydrophobicContact CE1-CD1 4.28Å; F167-F710 AromaticContact CE1-CE1 3.54Å; F167-F710 HydrophobicContact CE1-CE1 3.54Å; F167-F710 AromaticContact CE1-CZ 3.97Å; F167-F710 HydrophobicContact CE1-CZ 3.97Å; F207-F710 HydrophobicContact CD2-CE2 4Å; F207-F710 AromaticContact CD2-CZ 3.9Å; F207-F710 HydrophobicContact CD2-CZ 3.9Å; F207-F710 HydrophobicContact CE2-CD2 4.2Å; F207-F710 AromaticContact CE2-CE2 3.19Å; F207-F710 HydrophobicContact CE2-CE2 3.19Å; F207-F710 AromaticContact CE2-CZ 3.57Å; F207-F710 HydrophobicContact CE2-CZ 3.57Å; F207-F710 AromaticContact CZ-CE2 3.66Å; F207-F710 HydrophobicContact CZ-CE2 3.66Å; F207-F710 HydrophobicContact CZ-CZ 4.3Å; I210-F710 HydrophobicContact CG2-CE1 4.32Å; C211-F710 HydrophobicContact CB-CE1 4.45Å; C211-F710 HydrophobicContact CB-CE2 3.89Å; C211-F710 HydrophobicContact CB-CZ 3.56Å; F710-S712 PolarHBondContact O-N 3.36Å; F710-L746 HydrophobicContact CD1-CD1 3.45Å; F710-L746 VanDerWaalsContact CD1-CD1 3.45Å; F710-L746 HydrophobicContact CE1-CD1 3.45Å; F710-L746 VanDerWaalsContact CE1-CD1 3.45Å; F710-L746 HydrophobicContact CG-CD1 4.34Å; F710-L746 HydrophobicContact CZ-CD1 4.33Å; F710-L746 PolarHBondContact N-O 2.73Å; F710-L809 HydrophobicContact CB-CB 3.54Å; F710-L809 HydrophobicContact CB-CD1 4.49Å; F710-L809 HydrophobicContact CD1-CD1 4.4Å; F710-L809 HydrophobicContact CD2-CB 4.28Å; F710-L809 HydrophobicContact CG-CB 3.95Å; F710-L809 HydrophobicContact CG-CD1 4.42Å; F710-P810 WeakPolarHBondContact O-CG 3.03Å
711L90.8Very high92.7Very high9 Ų928.8 Ų28.85%0.04713%0.133CC..  trans-67.2-28-177.9-56.2179.9000112.4Q709 T718 G745 P748 Y750 V772 L799 L812Q709-L711 PolarHBondContact O-N 3.43Å; Q709-L711 VanDerWaalsContact O-N 3.12Å; L711-T718 HydrophobicContact CB-CG2 4.33Å; L711-T718 HydrophobicContact CD1-CG2 4.25Å; L711-G745 PolarHBondContact N-O 3.12Å; L711-P748 HydrophobicContact CD1-CG 3.62Å; L711-P748 HydrophobicContact CG-CG 4.48Å; L711-Y750 WeakPolarHBondContact CD1-OH 3.33Å; L711-V772 HydrophobicContact CB-CG1 4.42Å; L711-V772 HydrophobicContact CD1-CG1 3.81Å; L711-V772 HydrophobicContact CD2-CG1 4.27Å; L711-V772 HydrophobicContact CD2-CG2 4.34Å; L711-V772 HydrophobicContact CG-CG1 4.4Å; L711-L799 HydrophobicContact CD2-CD1 3.79Å; L711-L812 HydrophobicContact CD2-CD2 4.27Å
712S86.6Confident92.8Very high22 Ų2228.8 Ų28.815%0.15413%0.133CC..  trans-152.3146.5173.1-174.70000111.4F710 K714 I716 G745F710-S712 PolarHBondContact O-N 3.36Å; S712-K714 PolarHBondContact O-N 3.3Å; S712-K714 PolarHBondContact OG-N 3.46Å; S712-K714 VanDerWaalsContact OG-N 3.09Å; S712-I716 WeakPolarHBondContact OG-CD1 3.32Å; S712-G745 PolarHBondContact N-O 3.46Å; S712-G745 VanDerWaalsContact N-O 3.09Å
713D75.6Confident92.8Very high86 Ų8628.7 Ų28.746%0.4613%0.132SC..SBendtrans-71.6-17.1168.368.3-37.5000112.5S169S169-D713 PolarHBondContact OG-OD2 3.26Å
714K82.4Confident92.8Very high136 Ų13628.8 Ų28.859%0.59113%0.132SC*.SBendtrans-95.4150.1178.8-63.6172.2-171.2176.20111.1S712 I716S712-K714 PolarHBondContact O-N 3.3Å; S712-K714 PolarHBondContact OG-N 3.46Å; S712-K714 VanDerWaalsContact OG-N 3.09Å; K714-I716 HydrophobicContact CB-CG1 4.47Å; K714-I716 HydrophobicContact CB-CG2 3.93Å; K714-I716 PolarHBondContact O-N 2.99Å
715K84.2Confident92.8Very high143 Ų14324.6 Ų24.662%0.62212%0.116SC*.  trans-75.174.6167.8-81-165.9173-168.70110.7
716I89.4Confident92.6Very high25 Ų2524.5 Ų24.513%0.12812%0.115CC..  trans-111.9156.7176.454.2162000110.7S712 K714 N744 G745 D774 L780S712-I716 WeakPolarHBondContact OG-CD1 3.32Å; K714-I716 HydrophobicContact CB-CG1 4.47Å; K714-I716 HydrophobicContact CB-CG2 3.93Å; K714-I716 PolarHBondContact O-N 2.99Å; I716-N744 CarbonylContact O-C 3.54Å; I716-N744 PolarHBondContact O-N 3.3Å; I716-N744 VanDerWaalsContact O-N 3.17Å; I716-G745 PolarHBondContact O-N 2.95Å; I716-D774 HydrophobicContact CD1-CB 3.67Å; I716-L780 HydrophobicContact CD1-CD1 3.89Å; I716-L780 HydrophobicContact CD1-CD2 4.24Å
717G93.8Very high92.4Very high0 Ų024 Ų240%011%0.113CC..  trans-72.9144.7167.100000112V741 D774 E775G717-V741 WeakPolarHBondContact CA-O 3.5Å; G717-D774 CarbonylContact O-C 3.58Å; G717-D774 WeakPolarHBondContact O-CA 3.43Å; G717-E775 PolarHBondContact N-OE2 2.74Å; G717-E775 PolarHBondContact O-N 2.8Å
718T96.5Very high92.2Very high0 Ų026.9 Ų26.90%013%0.132CC..EExtended strand (participates in β ladder)trans-132151177.463.20000112L711 L740 V741 Y750 Y773 L780L711-T718 HydrophobicContact CB-CG2 4.33Å; L711-T718 HydrophobicContact CD1-CG2 4.25Å; T718-L740 WeakPolarHBondContact O-CA 3.3Å; T718-V741 PolarHBondContact N-O 3.09Å; T718-V741 VanDerWaalsContact N-O 3.09Å; T718-V741 PolarHBondContact O-N 3.06Å; T718-Y750 PolarHBondContact OG1-OH 3.31Å; T718-Y773 VanDerWaalsContact CA-O 3.3Å; T718-Y773 WeakPolarHBondContact CA-O 3.17Å; T718-L780 HydrophobicContact CG2-CD1 3.82Å
719Y97.3Very high92.1Very high25 Ų2529.6 Ų29.610%0.09815%0.148CC..EExtended strand (participates in β ladder)trans-141.2160.3168.966.8-91.9000110.5E721 K737 L740 Y773 D774Y719-E721 HydrophobicContact CD2-CG 4.09Å; Y719-E721 HydrophobicContact CE2-CG 3.83Å; Y719-E721 WeakPolarHBondContact CE2-OE1 3.49Å; Y719-K737 HydrophobicContact CD2-CD 3.86Å; Y719-K737 HydrophobicContact CD2-CG 3.89Å; Y719-K737 HydrophobicContact CE2-CD 3.85Å; Y719-K737 HydrophobicContact CE2-CG 4.34Å; Y719-K737 PolarHBondContact OH-NZ 2.72Å; Y719-L740 HydrophobicContact CD1-CD1 3.88Å; Y719-Y773 HydrophobicContact CD2-CD2 4.28Å; Y719-Y773 AromaticContact CE2-CD2 3.61Å; Y719-Y773 HydrophobicContact CE2-CD2 3.61Å; Y719-Y773 AromaticContact CE2-CG 3.83Å; Y719-Y773 HydrophobicContact CE2-CG 3.83Å; Y719-Y773 AromaticContact CZ-CG 3.79Å; Y719-Y773 PolarHBondContact N-O 2.87Å; Y719-Y773 PolarHBondContact O-N 3.28Å; Y719-D774 WeakPolarHBondContact CE1-O 3.3Å
720V98Very high92.2Very high0 Ų029.4 Ų29.40%015%0.147CC..EExtended strand (participates in β ladder)trans-118.8135.3-178-172.20000109.6V705 V722 K737 T738 Y750 A771 V772 L812V705-V720 HydrophobicContact CG1-CB 4.08Å; V705-V720 HydrophobicContact CG1-CG1 4.17Å; V705-V720 HydrophobicContact CG1-CG2 3.97Å; V705-V720 HydrophobicContact CG2-CG1 4.26Å; V720-V722 HydrophobicContact CG1-CG2 4.3Å; V720-K737 CarbonylContact O-C 3.37Å; V720-K737 WeakPolarHBondContact O-CA 3.48Å; V720-T738 HydrophobicContact CB-CG2 3.98Å; V720-T738 PolarHBondContact N-OG1 2.98Å; V720-T738 PolarHBondContact O-N 2.86Å; V720-Y750 HydrophobicContact CG2-CD2 4.23Å; V720-Y750 HydrophobicContact CG2-CE1 4.23Å; V720-Y750 HydrophobicContact CG2-CE2 3.56Å; V720-A771 CarbonylContact C-O 3.54Å; V720-A771 WeakPolarHBondContact CA-O 3.5Å; V720-V772 HydrophobicContact CG2-CG2 4.18Å; V720-L812 HydrophobicContact CG1-CD1 3.74Å; V720-L812 HydrophobicContact CG2-CD1 4.45Å; V720-L812 HydrophobicContact CG2-CD2 3.76Å
721E97.3Very high92.5Very high24 Ų2430.4 Ų30.411%0.11216%0.155CC..EExtended strand (participates in β ladder)trans-108.8139.1168.2-62.1-175.1166.600109.2Y719 F736 K737 A771 Y773Y719-E721 HydrophobicContact CD2-CG 4.09Å; Y719-E721 HydrophobicContact CE2-CG 3.83Å; Y719-E721 WeakPolarHBondContact CE2-OE1 3.49Å; E721-F736 WeakPolarHBondContact CA-O 3.41Å; E721-K737 HydrophobicContact CG-CB 4.16Å; E721-K737 HydrophobicContact CG-CD 4.27Å; E721-K737 HydrophobicContact CG-CG 4.16Å; E721-K737 IonicContact OE1-NZ 3.33Å; E721-A771 PolarHBondContact N-O 2.8Å; E721-A771 PolarHBondContact O-N 3.16Å; E721-Y773 HydrophobicContact CB-CE2 4.13Å; E721-Y773 HydrophobicContact CG-CD2 4.03Å; E721-Y773 HydrophobicContact CG-CE2 3.93Å; E721-Y773 VanDerWaalsContact OE2-CE2 3.27Å; E721-Y773 WeakPolarHBondContact OE2-CE2 3.22Å
722V97.8Very high92.6Very high1 Ų132 Ų321%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-125.8110.2175.5-175.70000108.7I703 V705 V720 F736 F755 F757 L768 R769 F770I703-V722 HydrophobicContact CD1-CG1 3.65Å; I703-V722 HydrophobicContact CG2-CG1 4.29Å; I703-V722 HydrophobicContact CG2-CG2 4.44Å; V705-V722 HydrophobicContact CG2-CG2 3.71Å; V720-V722 HydrophobicContact CG1-CG2 4.3Å; V722-F736 PolarHBondContact N-O 3.13Å; V722-F736 WeakPolarHBondContact O-CB 3.44Å; V722-F755 HydrophobicContact CB-CD2 3.82Å; V722-F755 HydrophobicContact CB-CE2 4.21Å; V722-F755 HydrophobicContact CG2-CD2 3.82Å; V722-F755 HydrophobicContact CG2-CE2 3.87Å; V722-F757 HydrophobicContact CG1-CE2 4.38Å; V722-F757 HydrophobicContact CG1-CZ 4.26Å; V722-L768 HydrophobicContact CG1-CD2 4.25Å; V722-R769 CarbonylContact C-O 3.58Å; V722-R769 WeakPolarHBondContact CA-O 2.84Å; V722-F770 HydrophobicContact CG1-CD1 4.34Å; V722-F770 HydrophobicContact CG1-CE1 4.17Å; V722-F770 HydrophobicContact CG1-CZ 4.44Å; V722-F770 HydrophobicContact CG2-CD1 3.86Å; V722-F770 HydrophobicContact CG2-CE1 4.16Å
723E97.3Very high92.9Very high6 Ų636.5 Ų36.53%0.02818%0.177CC..EExtended strand (participates in β ladder)trans-113.3152.9-176.6-57.2-177.3128.100110.4Y725 I732 K734 L768 R769E723-Y725 HydrophobicContact CB-CD2 4.35Å; E723-Y725 HydrophobicContact CB-CE2 3.63Å; E723-Y725 VanDerWaalsContact CD-OH 3.29Å; E723-Y725 WeakPolarHBondContact OE2-CE2 3.23Å; E723-Y725 PolarHBondContact OE2-OH 3.32Å; E723-I732 WeakPolarHBondContact CA-O 3.15Å; E723-K734 PolarHBondContact OE1-N 3.36Å; E723-L768 CarbonylContact O-C 3.59Å; E723-L768 WeakPolarHBondContact O-CA 3.41Å; E723-R769 HydrophobicContact CB-CB 4.43Å; E723-R769 PolarHBondContact N-O 2.66Å; E723-R769 PolarHBondContact O-N 2.93Å; E723-R769 IonicContact OE2-NH1 3.44Å; E723-R769 PolarHBondContact OE2-NH1 2.72Å
724M97.7Very high93.4Very high1 Ų140 Ų401%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-117.3135.4170.2-174.8171.5-69.300109.5C701 D730 T731 I732 F757 V760 A766 V767 L768 L787C701-M724 HydrophobicContact CB-CE 4.32Å; M724-D730 WeakPolarHBondContact CG-O 3.35Å; M724-T731 CarbonylContact O-C 3.52Å; M724-T731 VanDerWaalsContact O-CA 3.27Å; M724-T731 WeakPolarHBondContact O-CA 3.44Å; M724-I732 PolarHBondContact N-O 3.04Å; M724-I732 PolarHBondContact O-N 3.29Å; M724-F757 HydrophobicContact CB-CD1 3.69Å; M724-F757 HydrophobicContact CB-CE1 3.41Å; M724-F757 VanDerWaalsContact CB-CE1 3.41Å; M724-F757 HydrophobicContact CB-CZ 4.25Å; M724-F757 HydrophobicContact CE-CB 3.89Å; M724-F757 HydrophobicContact CE-CD1 3.69Å; M724-F757 HydrophobicContact CE-CD2 4.13Å; M724-F757 HydrophobicContact CE-CE1 4.25Å; M724-F757 HydrophobicContact CE-CG 3.63Å; M724-F757 HydrophobicContact CG-CD1 4.43Å; M724-F757 HydrophobicContact SD-CB 4.44Å; M724-F757 HydrophobicContact SD-CD1 3.95Å; M724-F757 HydrophobicContact SD-CG 4.35Å; M724-V760 HydrophobicContact CE-CG2 3.92Å; M724-V760 HydrophobicContact SD-CB 4.47Å; M724-V760 HydrophobicContact SD-CG1 3.97Å; M724-V760 HydrophobicContact SD-CG2 3.65Å; M724-A766 HydrophobicContact CG-CB 4.39Å; M724-A766 HydrophobicContact SD-CB 4.27Å; M724-V767 WeakPolarHBondContact CA-O 3.49Å; M724-L768 HydrophobicContact CB-CD2 4.22Å; M724-L768 HydrophobicContact CE-CD2 3.61Å; M724-L768 HydrophobicContact CE-CG 4.02Å; M724-L787 HydrophobicContact CE-CD1 4.44Å; M724-L787 HydrophobicContact CE-CD2 4.41Å
725Y97.2Very high93.7Very high0 Ų040 Ų400%019%0.19CC..EExtended strand (participates in β ladder)trans-123.9129175.7-65.8-92000108.7L633 L654 L658 E723 T731 R733 A766 V767 R769L633-Y725 HydrophobicContact CD1-CD1 4Å; L633-Y725 HydrophobicContact CD1-CE1 3.92Å; L633-Y725 HydrophobicContact CD2-CD1 4.11Å; L633-Y725 HydrophobicContact CD2-CE1 4.26Å; L654-Y725 HydrophobicContact CD1-CE2 4.43Å; L654-Y725 HydrophobicContact CD2-CE1 4.39Å; L654-Y725 WeakPolarHBondContact CD2-OH 3.47Å; L658-Y725 HydrophobicContact CD1-CD1 3.8Å; L658-Y725 HydrophobicContact CD1-CD2 4.1Å; L658-Y725 HydrophobicContact CD1-CE1 3.94Å; L658-Y725 HydrophobicContact CD1-CE2 4.25Å; L658-Y725 HydrophobicContact CD1-CG 3.89Å; L658-Y725 HydrophobicContact CD2-CD2 3.69Å; L658-Y725 HydrophobicContact CD2-CE2 4.16Å; L658-Y725 HydrophobicContact CD2-CG 4.05Å; E723-Y725 HydrophobicContact CB-CD2 4.35Å; E723-Y725 HydrophobicContact CB-CE2 3.63Å; E723-Y725 VanDerWaalsContact CD-OH 3.29Å; E723-Y725 WeakPolarHBondContact OE2-CE2 3.23Å; E723-Y725 PolarHBondContact OE2-OH 3.32Å; Y725-T731 HydrophobicContact CD1-CG2 4.23Å; Y725-R733 HydrophobicContact CD1-CG 4.49Å; Y725-R733 HydrophobicContact CE1-CG 3.77Å; Y725-R733 PolarHBondContact OH-NE 3.29Å; Y725-A766 CarbonylContact O-C 3.45Å; Y725-A766 VanDerWaalsContact O-CA 3.28Å; Y725-A766 WeakPolarHBondContact O-CA 3.11Å; Y725-V767 PolarHBondContact N-O 3.34Å; Y725-V767 PolarHBondContact O-N 3.1Å; Y725-R769 HydrophobicContact CD2-CB 4.35Å; Y725-R769 HydrophobicContact CE2-CB 4.1Å
726G94.7Very high94.2Very high0 Ų034.6 Ų34.60%017%0.167CC..SBendtrans-170-134.8-17800000110.1Q635 N639 T731Q635-G726 VanDerWaalsContact CG-O 3.24Å; Q635-G726 WeakPolarHBondContact CG-O 3.47Å; N639-G726 PolarHBondContact ND2-O 3.45Å; N639-G726 PolarHBondContact OD1-O 2.78Å; G726-T731 PolarHBondContact N-OG1 2.81Å; G726-T731 VanDerWaalsContact N-OG1 3.09Å; G726-T731 PolarHBondContact O-OG1 2.85Å
727L93Very high94.5Very high0 Ų037.7 Ų37.70%018%0.179CC..SBendtrans-58.7158.6164.7-62.1-173.7000110.8N639 F685 T729 D730 T731 V761 L762 L765N639-L727 HydrophobicContact CB-CD2 4.02Å; F685-L727 HydrophobicContact CE1-CD2 4.45Å; F685-L727 HydrophobicContact CE2-CD1 4.31Å; F685-L727 HydrophobicContact CZ-CD1 4.01Å; F685-L727 HydrophobicContact CZ-CD2 3.78Å; L727-T729 HydrophobicContact CB-CG2 4.1Å; L727-T729 PolarHBondContact O-N 3.29Å; L727-D730 HydrophobicContact CB-CB 4.39Å; L727-D730 PolarHBondContact O-N 3.44Å; L727-T731 WeakPolarHBondContact O-CB 3.42Å; L727-T731 PolarHBondContact O-N 3.14Å; L727-T731 PolarHBondContact O-OG1 3.15Å; L727-V761 HydrophobicContact CD1-CG1 4.2Å; L727-L762 HydrophobicContact CD1-CB 3.55Å; L727-L762 HydrophobicContact CD1-CD2 3.86Å; L727-L762 HydrophobicContact CD1-CG 4.3Å; L727-L762 HydrophobicContact CD2-CD2 3.91Å; L727-L762 HydrophobicContact CG-CB 3.87Å; L727-L762 HydrophobicContact CG-CD2 3.89Å; L727-L765 HydrophobicContact CD2-CD2 3.91Å
728P92.5Very high94.7Very high62 Ų6237.9 Ų37.940%0.40318%0.18SC..G310 helixtrans-52.7-41.5176-26.637.1000112.3P687 F688 D730 T731P687-P728 WeakPolarHBondContact O-CD 3.47Å; F688-P728 HydrophobicContact CD1-CB 4.33Å; F688-P728 HydrophobicContact CD1-CG 3.75Å; F688-P728 HydrophobicContact CE1-CG 3.82Å; P728-D730 VanDerWaalsContact C-N 3.3Å; P728-D730 PolarHBondContact O-N 3.26Å; P728-T731 PolarHBondContact O-N 3.17Å
729T91.1Very high94.6Very high56 Ų5645.5 Ų45.534%0.34421%0.213SC..G310 helixtrans-68.9-22176.5-171.70000114.6L727 V761L727-T729 HydrophobicContact CB-CG2 4.1Å; L727-T729 PolarHBondContact O-N 3.29Å; T729-V761 HydrophobicContact CG2-CB 3.95Å; T729-V761 HydrophobicContact CG2-CG2 3.63Å
730D93.9Very high94.6Very high3 Ų348.2 Ų48.22%0.01623%0.229CC..G310 helixtrans-95.2-12.5180-66.1-21.8000111.9M724 L727 P728 I732 V760 V761 L762M724-D730 WeakPolarHBondContact CG-O 3.35Å; L727-D730 HydrophobicContact CB-CB 4.39Å; L727-D730 PolarHBondContact O-N 3.44Å; P728-D730 VanDerWaalsContact C-N 3.3Å; P728-D730 PolarHBondContact O-N 3.26Å; D730-I732 PolarHBondContact O-N 3.29Å; D730-V760 HydrophobicContact CB-CG1 4.33Å; D730-V760 WeakPolarHBondContact OD1-CA 3.33Å; D730-V761 WeakPolarHBondContact OD1-CB 3.35Å; D730-V761 PolarHBondContact OD1-N 3.08Å; D730-V761 PolarHBondContact OD2-N 3.42Å; D730-L762 PolarHBondContact OD2-N 3.33Å
731T95.3Very high94.4Very high40 Ų4049.6 Ų49.625%0.24524%0.237CC..  trans-85.5115.1-171.6-62.90000110.4M724 Y725 G726 L727 P728 R733M724-T731 CarbonylContact O-C 3.52Å; M724-T731 VanDerWaalsContact O-CA 3.27Å; M724-T731 WeakPolarHBondContact O-CA 3.44Å; Y725-T731 HydrophobicContact CD1-CG2 4.23Å; G726-T731 PolarHBondContact N-OG1 2.81Å; G726-T731 VanDerWaalsContact N-OG1 3.09Å; G726-T731 PolarHBondContact O-OG1 2.85Å; L727-T731 WeakPolarHBondContact O-CB 3.42Å; L727-T731 PolarHBondContact O-N 3.14Å; L727-T731 PolarHBondContact O-OG1 3.15Å; P728-T731 PolarHBondContact O-N 3.17Å; T731-R733 HydrophobicContact CG2-CG 3.89Å
732I94Very high94.2Very high42 Ų4252.8 Ų52.822%0.21526%0.26CS..BIsolated β-bridgetrans-123.6122.1176.3-58-178000108.4E723 M724 D730 E735 F736 F757E723-I732 WeakPolarHBondContact CA-O 3.15Å; M724-I732 PolarHBondContact N-O 3.04Å; M724-I732 PolarHBondContact O-N 3.29Å; D730-I732 PolarHBondContact O-N 3.29Å; I732-E735 HydrophobicContact CG2-CB 3.87Å; I732-E735 WeakPolarHBondContact CG2-OE2 3.32Å; I732-F736 HydrophobicContact CD1-CE2 4.1Å; I732-F736 HydrophobicContact CG2-CD2 4Å; I732-F736 HydrophobicContact CG2-CE2 3.83Å; I732-F757 HydrophobicContact CB-CD1 4.41Å; I732-F757 HydrophobicContact CB-CE1 4.07Å; I732-F757 HydrophobicContact CD1-CD1 3.83Å; I732-F757 HydrophobicContact CD1-CE1 4.27Å; I732-F757 HydrophobicContact CG1-CD1 4.42Å
733R91.4Very high93.8Very high117 Ų11755.5 Ų55.544%0.44228%0.283SS..  trans-130.9141.8-172.3-62.7172.865.7-158.90.1110.8Y725 T731 E735Y725-R733 HydrophobicContact CD1-CG 4.49Å; Y725-R733 HydrophobicContact CE1-CG 3.77Å; Y725-R733 PolarHBondContact OH-NE 3.29Å; T731-R733 HydrophobicContact CG2-CG 3.89Å; R733-E735 PolarHBondContact O-N 3.16Å
734K85.8Confident93.4Very high160 Ų16057.4 Ų57.470%0.69629%0.293SS*.SBendtrans55.94.3177.1-57-176.5175.7-176.90117.3E723E723-K734 PolarHBondContact OE1-N 3.36Å
735E90.3Very high92.9Very high136 Ų13657.5 Ų57.564%0.63629%0.294SS*.SBendtrans-84.6-48.6179.5-172.3178161.800111.4I732 R733 K737I732-E735 HydrophobicContact CG2-CB 3.87Å; I732-E735 WeakPolarHBondContact CG2-OE2 3.32Å; R733-E735 PolarHBondContact O-N 3.16Å; E735-K737 PolarHBondContact O-N 2.7Å
736F95.1Very high92.4Very high29 Ų2958.9 Ų58.913%0.12730%0.302CS..  trans-90.798.1-176.6-64-46.2000111.8E721 V722 I732 F755 V756 F757E721-F736 WeakPolarHBondContact CA-O 3.41Å; V722-F736 PolarHBondContact N-O 3.13Å; V722-F736 WeakPolarHBondContact O-CB 3.44Å; I732-F736 HydrophobicContact CD1-CE2 4.1Å; I732-F736 HydrophobicContact CG2-CD2 4Å; I732-F736 HydrophobicContact CG2-CE2 3.83Å; F736-F755 HydrophobicContact CB-CB 3.9Å; F736-F755 HydrophobicContact CB-CD1 3.78Å; F736-F755 HydrophobicContact CB-CD2 3.78Å; F736-F755 HydrophobicContact CB-CE1 4.22Å; F736-F755 HydrophobicContact CB-CE2 4.2Å; F736-F755 HydrophobicContact CB-CG 3.54Å; F736-F755 HydrophobicContact CB-CZ 4.41Å; F736-F755 HydrophobicContact CD1-CB 3.72Å; F736-F755 AromaticContact CD1-CD1 3.64Å; F736-F755 HydrophobicContact CD1-CD1 3.64Å; F736-F755 AromaticContact CD1-CG 3.86Å; F736-F755 HydrophobicContact CD1-CG 3.86Å; F736-F755 HydrophobicContact CD2-CB 3.96Å; F736-F755 HydrophobicContact CE1-CB 4.23Å; F736-F755 HydrophobicContact CE2-CB 4.42Å; F736-F755 HydrophobicContact CG-CB 3.58Å; F736-F755 AromaticContact CG-CD1 3.95Å; F736-F755 HydrophobicContact CG-CD1 3.95Å; F736-F755 HydrophobicContact CG-CD2 4.42Å; F736-F755 AromaticContact CG-CG 3.74Å; F736-F755 HydrophobicContact CG-CG 3.74Å; F736-V756 WeakPolarHBondContact CZ-O 3.45Å; F736-F757 HydrophobicContact CD2-CD1 4.48Å; F736-F757 AromaticContact CD2-CE1 3.67Å; F736-F757 HydrophobicContact CD2-CE1 3.67Å; F736-F757 HydrophobicContact CD2-CE2 4.03Å; F736-F757 AromaticContact CD2-CZ 3.4Å; F736-F757 HydrophobicContact CD2-CZ 3.4Å; F736-F757 VanDerWaalsContact CD2-CZ 3.4Å; F736-F757 AromaticContact CE2-CD1 3.94Å; F736-F757 HydrophobicContact CE2-CD1 3.94Å; F736-F757 HydrophobicContact CE2-CD2 4.41Å; F736-F757 AromaticContact CE2-CE1 3.57Å; F736-F757 HydrophobicContact CE2-CE1 3.57Å; F736-F757 HydrophobicContact CE2-CE2 4.07Å; F736-F757 HydrophobicContact CE2-CG 4.34Å; F736-F757 AromaticContact CE2-CZ 3.65Å; F736-F757 HydrophobicContact CE2-CZ 3.65Å
737K95.6Very high92.2Very high90 Ų9060.6 Ų60.639%0.39131%0.311SS..BIsolated β-bridgetrans-134.5133.7-179170.1170.4173.8157.90110.5Y719 V720 E721 E735Y719-K737 HydrophobicContact CD2-CD 3.86Å; Y719-K737 HydrophobicContact CD2-CG 3.89Å; Y719-K737 HydrophobicContact CE2-CD 3.85Å; Y719-K737 HydrophobicContact CE2-CG 4.34Å; Y719-K737 PolarHBondContact OH-NZ 2.72Å; V720-K737 CarbonylContact O-C 3.37Å; V720-K737 WeakPolarHBondContact O-CA 3.48Å; E721-K737 HydrophobicContact CG-CB 4.16Å; E721-K737 HydrophobicContact CG-CD 4.27Å; E721-K737 HydrophobicContact CG-CG 4.16Å; E721-K737 IonicContact OE1-NZ 3.33Å; E735-K737 PolarHBondContact O-N 2.7Å
738T97.1Very high92.3Very high3 Ų360.6 Ų60.62%0.01831%0.311CS..PPolyproline II helixtrans-73.5158.4174.572.10000111.8V705 V720 Y750 E752 F755V705-T738 HydrophobicContact CB-CG2 3.93Å; V705-T738 HydrophobicContact CG1-CG2 4.18Å; V705-T738 HydrophobicContact CG2-CG2 4.3Å; V720-T738 HydrophobicContact CB-CG2 3.98Å; V720-T738 PolarHBondContact N-OG1 2.98Å; V720-T738 PolarHBondContact O-N 2.86Å; T738-Y750 HydrophobicContact CG2-CD1 4.45Å; T738-Y750 HydrophobicContact CG2-CG 4.28Å; T738-Y750 WeakPolarHBondContact OG1-CD1 3.35Å; T738-E752 VanDerWaalsContact CA-OE2 3.26Å; T738-E752 WeakPolarHBondContact CA-OE2 3.36Å; T738-F755 HydrophobicContact CG2-CE2 4.13Å; T738-F755 HydrophobicContact CG2-CZ 3.79Å
739K95.4Very high92.4Very high161 Ų16161.3 Ų61.370%0.731%0.31SS*.PPolyproline II helixtrans-58.1148.4162.4-70.4163-165.4167.20110.5V741 E752K739-V741 PolarHBondContact O-N 3.3Å; K739-E752 WeakPolarHBondContact CA-OE1 3.32Å; K739-E752 WeakPolarHBondContact CB-OE1 3.29Å; K739-E752 WeakPolarHBondContact CD-OE1 3.29Å; K739-E752 WeakPolarHBondContact CG-OE1 3.47Å; K739-E752 PolarHBondContact N-OE1 2.9Å
740L95.7Very high92.6Very high81 Ų8159.6 Ų59.642%0.42430%0.298SS..PPolyproline II helixtrans-69.1123.9171.2-177.977.6000109.4T718 Y719 P742 E775T718-L740 WeakPolarHBondContact O-CA 3.3Å; Y719-L740 HydrophobicContact CD1-CD1 3.88Å; L740-P742 WeakPolarHBondContact O-CD 3.3Å; L740-E775 HydrophobicContact CD1-CB 3.99Å; L740-E775 HydrophobicContact CD2-CB 4.16Å
741V95.3Very high92Very high29 Ų2963 Ų6318%0.17632%0.316CS..BIsolated β-bridgetrans-93.9107168.4-179.90000107.6G717 T718 K739 N744 P748 Y750G717-V741 WeakPolarHBondContact CA-O 3.5Å; T718-V741 PolarHBondContact N-O 3.09Å; T718-V741 VanDerWaalsContact N-O 3.09Å; T718-V741 PolarHBondContact O-N 3.06Å; K739-V741 PolarHBondContact O-N 3.3Å; V741-N744 HydrophobicContact CG1-CB 4.1Å; V741-P748 HydrophobicContact CB-CB 3.86Å; V741-P748 HydrophobicContact CG1-CB 3.81Å; V741-P748 HydrophobicContact CG2-CB 4.18Å; V741-Y750 HydrophobicContact CB-CE1 4.3Å; V741-Y750 HydrophobicContact CG2-CD1 3.51Å; V741-Y750 HydrophobicContact CG2-CE1 3.73Å; V741-Y750 HydrophobicContact CG2-CG 4.39Å
742P92.8Very high91.1Very high91 Ų9162.6 Ų62.659%0.59131%0.311SS*.THydrogen-bonded Turntrans-74.5146.2-172.330.3-35.3000112.2L740 N744L740-P742 WeakPolarHBondContact O-CD 3.3Å; P742-N744 PolarHBondContact O-N 3.39Å
743A88.9Confident91Very high59 Ų5967.9 Ų67.949%0.48834%0.335SS..THydrogen-bonded Turntrans53.124.717100000115.9
744N88.9Confident91.3Very high46 Ų4664.5 Ų64.525%0.24633%0.328CS..  trans-136.190175.4-172.43.2000110.6I716 V741 P742 L746 N747 P748I716-N744 CarbonylContact O-C 3.54Å; I716-N744 PolarHBondContact O-N 3.3Å; I716-N744 VanDerWaalsContact O-N 3.17Å; V741-N744 HydrophobicContact CG1-CB 4.1Å; P742-N744 PolarHBondContact O-N 3.39Å; N744-L746 PolarHBondContact OD1-N 3.09Å; N744-N747 PolarHBondContact ND2-O 3Å; N744-N747 PolarHBondContact ND2-OD1 2.9Å; N744-N747 PolarHBondContact OD1-N 2.92Å; N744-N747 PolarHBondContact OD1-OD1 3.28Å; N744-P748 WeakPolarHBondContact O-CB 3.28Å; N744-P748 WeakPolarHBondContact O-CD 3.49Å; N744-P748 WeakPolarHBondContact O-CG 3.26Å
745G87.2Confident91.8Very high2 Ų257.7 Ų57.72%0.02130%0.299CS..SBendtrans-90.8-5.6170.200000113.9L711 S712 I716L711-G745 PolarHBondContact N-O 3.12Å; S712-G745 PolarHBondContact N-O 3.46Å; S712-G745 VanDerWaalsContact N-O 3.09Å; I716-G745 PolarHBondContact O-N 2.95Å
746L87.4Confident92.1Very high30 Ų3053.8 Ų53.816%0.15728%0.284CS..SBendtrans-88.5-51.4-173.1178.965.3000112.2M175 I210 Q709 F710 N744M175-L746 HydrophobicContact CE-CD2 3.72Å; I210-L746 HydrophobicContact CG2-CD2 4.43Å; Q709-L746 CarbonylContact C-O 3.41Å; Q709-L746 WeakPolarHBondContact CA-O 3.41Å; F710-L746 HydrophobicContact CD1-CD1 3.45Å; F710-L746 VanDerWaalsContact CD1-CD1 3.45Å; F710-L746 HydrophobicContact CE1-CD1 3.45Å; F710-L746 VanDerWaalsContact CE1-CD1 3.45Å; F710-L746 HydrophobicContact CG-CD1 4.34Å; F710-L746 HydrophobicContact CZ-CD1 4.33Å; F710-L746 PolarHBondContact N-O 2.73Å; N744-L746 PolarHBondContact OD1-N 3.09Å
747N90.4Very high92.1Very high36 Ų3652.6 Ų52.619%0.19328%0.279CS..SBendtrans-147.754.4-17964-22.6000112.1P212 G708 N744 I749P212-N747 PolarHBondContact O-ND2 2.93Å; G708-N747 CarbonylContact O-C 3.56Å; G708-N747 VanDerWaalsContact O-CA 3.26Å; G708-N747 WeakPolarHBondContact O-CA 2.95Å; N744-N747 PolarHBondContact ND2-O 3Å; N744-N747 PolarHBondContact ND2-OD1 2.9Å; N744-N747 PolarHBondContact OD1-N 2.92Å; N744-N747 PolarHBondContact OD1-OD1 3.28Å; N747-I749 PolarHBondContact O-N 3.15Å
748P94Very high91.9Very high0 Ų054.9 Ų54.90%029%0.285CS..  trans-60.5134.317924.8-32.5000111.1S707 G708 L711 V741 N744 Y750S707-P748 CarbonylContact C-O 3.45Å; S707-P748 WeakPolarHBondContact CA-O 3.14Å; S707-P748 WeakPolarHBondContact CB-O 3.49Å; G708-P748 PolarHBondContact N-O 3.4Å; G708-P748 WeakPolarHBondContact O-CD 2.7Å; L711-P748 HydrophobicContact CD1-CG 3.62Å; L711-P748 HydrophobicContact CG-CG 4.48Å; V741-P748 HydrophobicContact CB-CB 3.86Å; V741-P748 HydrophobicContact CG1-CB 3.81Å; V741-P748 HydrophobicContact CG2-CB 4.18Å; N744-P748 WeakPolarHBondContact O-CB 3.28Å; N744-P748 WeakPolarHBondContact O-CD 3.49Å; N744-P748 WeakPolarHBondContact O-CG 3.26Å; P748-Y750 HydrophobicContact CB-CE1 4.24Å; P748-Y750 HydrophobicContact CB-CE2 4.41Å; P748-Y750 HydrophobicContact CG-CE2 4.25Å; P748-Y750 WeakPolarHBondContact CG-OH 3.44Å
749I96Very high91.7Very high76 Ų7658 Ų5839%0.3930%0.298SS..BIsolated β-bridgetrans-105.5114.7170.8-61.7176.1000106.9D215 N747 N751D215-I749 HydrophobicContact CB-CD1 4.43Å; N747-I749 PolarHBondContact O-N 3.15Å; I749-N751 HydrophobicContact CG2-CB 3.74Å
750Y95.1Very high91.6Very high20 Ų2050.3 Ų50.38%0.07827%0.265CS..  trans-86.3-48176.1-52.2-75.4000109.8V705 I706 L711 T718 V720 T738 V741 P748 E752 L812V705-Y750 HydrophobicContact CG1-CD2 3.75Å; V705-Y750 HydrophobicContact CG1-CE2 4.27Å; V705-Y750 HydrophobicContact CG1-CG 4.45Å; I706-Y750 PolarHBondContact O-N 2.94Å; L711-Y750 WeakPolarHBondContact CD1-OH 3.33Å; T718-Y750 PolarHBondContact OG1-OH 3.31Å; V720-Y750 HydrophobicContact CG2-CD2 4.23Å; V720-Y750 HydrophobicContact CG2-CE1 4.23Å; V720-Y750 HydrophobicContact CG2-CE2 3.56Å; T738-Y750 HydrophobicContact CG2-CD1 4.45Å; T738-Y750 HydrophobicContact CG2-CG 4.28Å; T738-Y750 WeakPolarHBondContact OG1-CD1 3.35Å; V741-Y750 HydrophobicContact CB-CE1 4.3Å; V741-Y750 HydrophobicContact CG2-CD1 3.51Å; V741-Y750 HydrophobicContact CG2-CE1 3.73Å; V741-Y750 HydrophobicContact CG2-CG 4.39Å; P748-Y750 HydrophobicContact CB-CE1 4.24Å; P748-Y750 HydrophobicContact CB-CE2 4.41Å; P748-Y750 HydrophobicContact CG-CE2 4.25Å; P748-Y750 WeakPolarHBondContact CG-OH 3.44Å; Y750-E752 VanDerWaalsContact C-N 3.27Å; Y750-E752 PolarHBondContact O-N 2.91Å; Y750-L812 HydrophobicContact CE2-CD2 4.49Å
751N80.1Confident91.5Very high76 Ų7646.5 Ų46.541%0.40625%0.245SC..  trans43.546.6178.6-16223.5000114.4R704 I706 I749R704-N751 PolarHBondContact NH2-OD1 2.93Å; I706-N751 PolarHBondContact O-N 2.89Å; I749-N751 HydrophobicContact CG2-CB 3.74Å
752E77.5Confident91.3Very high30 Ų3045.1 Ų45.114%0.1424%0.236CC..PPolyproline II helixtrans-85.4173.6-176.1-61.4-146.8153.100113.5R704 T738 K739 Y750R704-E752 VanDerWaalsContact CG-O 3.27Å; R704-E752 WeakPolarHBondContact CG-O 3.22Å; R704-E752 PolarHBondContact NE-O 3.25Å; T738-E752 VanDerWaalsContact CA-OE2 3.26Å; T738-E752 WeakPolarHBondContact CA-OE2 3.36Å; K739-E752 WeakPolarHBondContact CA-OE1 3.32Å; K739-E752 WeakPolarHBondContact CB-OE1 3.29Å; K739-E752 WeakPolarHBondContact CD-OE1 3.29Å; K739-E752 WeakPolarHBondContact CG-OE1 3.47Å; K739-E752 PolarHBondContact N-OE1 2.9Å; Y750-E752 VanDerWaalsContact C-N 3.27Å; Y750-E752 PolarHBondContact O-N 2.91Å
753E91.5Very high91.2Very high154 Ų15441.4 Ų41.472%0.7221%0.213SC*.PPolyproline II helixtrans-59.2147.1165.6-71.3-59.3141.600110.2F755E753-F755 PolarHBondContact O-N 3.21Å
754P96.5Very high91.3Very high46 Ų4643.5 Ų43.530%0.29921%0.212SC..PPolyproline II helixtrans-65137.3178.424.9-30.2000111.7S702 I703 R704S702-P754 VanDerWaalsContact OG-CB 3.27Å; S702-P754 WeakPolarHBondContact OG-CB 3.37Å; I703-P754 CarbonylContact O-C 3.5Å; I703-P754 WeakPolarHBondContact O-CA 3.44Å; R704-P754 HydrophobicContact CB-CB 4.17Å
755F96.9Very high91.4Very high16 Ų1641.5 Ų41.57%0.0720%0.202CC..EExtended strand (participates in β ladder)trans-73.4122.3165.4-55.1-35.4000109.1S702 I703 V705 V722 F736 T738 E753 F757S702-F755 CarbonylContact C-O 3.5Å; S702-F755 VanDerWaalsContact CA-O 3.25Å; S702-F755 WeakPolarHBondContact CA-O 3.02Å; I703-F755 PolarHBondContact N-O 3.11Å; I703-F755 PolarHBondContact O-N 2.86Å; V705-F755 HydrophobicContact CG2-CD2 4.3Å; V705-F755 HydrophobicContact CG2-CE2 3.84Å; V722-F755 HydrophobicContact CB-CD2 3.82Å; V722-F755 HydrophobicContact CB-CE2 4.21Å; V722-F755 HydrophobicContact CG2-CD2 3.82Å; V722-F755 HydrophobicContact CG2-CE2 3.87Å; F736-F755 HydrophobicContact CB-CB 3.9Å; F736-F755 HydrophobicContact CB-CD1 3.78Å; F736-F755 HydrophobicContact CB-CD2 3.78Å; F736-F755 HydrophobicContact CB-CE1 4.22Å; F736-F755 HydrophobicContact CB-CE2 4.2Å; F736-F755 HydrophobicContact CB-CG 3.54Å; F736-F755 HydrophobicContact CB-CZ 4.41Å; F736-F755 HydrophobicContact CD1-CB 3.72Å; F736-F755 AromaticContact CD1-CD1 3.64Å; F736-F755 HydrophobicContact CD1-CD1 3.64Å; F736-F755 AromaticContact CD1-CG 3.86Å; F736-F755 HydrophobicContact CD1-CG 3.86Å; F736-F755 HydrophobicContact CD2-CB 3.96Å; F736-F755 HydrophobicContact CE1-CB 4.23Å; F736-F755 HydrophobicContact CE2-CB 4.42Å; F736-F755 HydrophobicContact CG-CB 3.58Å; F736-F755 AromaticContact CG-CD1 3.95Å; F736-F755 HydrophobicContact CG-CD1 3.95Å; F736-F755 HydrophobicContact CG-CD2 4.42Å; F736-F755 AromaticContact CG-CG 3.74Å; F736-F755 HydrophobicContact CG-CG 3.74Å; T738-F755 HydrophobicContact CG2-CE2 4.13Å; T738-F755 HydrophobicContact CG2-CZ 3.79Å; E753-F755 PolarHBondContact O-N 3.21Å; F755-F757 HydrophobicContact CB-CE2 4.37Å
756V96.2Very high91.8Very high55 Ų5541.4 Ų41.433%0.33320%0.201SC..EExtended strand (participates in β ladder)trans-111.4112.4-171.2179.40000110.9Y700 F736 R758Y700-V756 HydrophobicContact CE2-CG1 3.59Å; Y700-V756 WeakPolarHBondContact OH-CG1 3.44Å; F736-V756 WeakPolarHBondContact CZ-O 3.45Å; V756-R758 HydrophobicContact CG1-CB 4.19Å; V756-R758 PolarHBondContact O-N 3.21Å
757F95.4Very high92.2Very high3 Ų340.1 Ų40.11%0.01319%0.194CC..EExtended strand (participates in β ladder)trans-93.682.6167.2-53.6-94.6000107.6C701 I703 V722 M724 I732 F736 F755 K759 V760 L768C701-F757 HydrophobicContact CB-CB 4.16Å; C701-F757 PolarHBondContact N-O 3.07Å; C701-F757 CarbonylContact O-C 3.54Å; C701-F757 WeakPolarHBondContact O-CA 3.48Å; C701-F757 WeakPolarHBondContact O-CB 3.34Å; C701-F757 PolarHBondContact O-N 3.41Å; I703-F757 HydrophobicContact CD1-CD2 4.49Å; I703-F757 HydrophobicContact CD1-CE2 3.91Å; I703-F757 HydrophobicContact CG1-CE2 4.47Å; V722-F757 HydrophobicContact CG1-CE2 4.38Å; V722-F757 HydrophobicContact CG1-CZ 4.26Å; M724-F757 HydrophobicContact CB-CD1 3.69Å; M724-F757 HydrophobicContact CB-CE1 3.41Å; M724-F757 VanDerWaalsContact CB-CE1 3.41Å; M724-F757 HydrophobicContact CB-CZ 4.25Å; M724-F757 HydrophobicContact CE-CB 3.89Å; M724-F757 HydrophobicContact CE-CD1 3.69Å; M724-F757 HydrophobicContact CE-CD2 4.13Å; M724-F757 HydrophobicContact CE-CE1 4.25Å; M724-F757 HydrophobicContact CE-CG 3.63Å; M724-F757 HydrophobicContact CG-CD1 4.43Å; M724-F757 HydrophobicContact SD-CB 4.44Å; M724-F757 HydrophobicContact SD-CD1 3.95Å; M724-F757 HydrophobicContact SD-CG 4.35Å; I732-F757 HydrophobicContact CB-CD1 4.41Å; I732-F757 HydrophobicContact CB-CE1 4.07Å; I732-F757 HydrophobicContact CD1-CD1 3.83Å; I732-F757 HydrophobicContact CD1-CE1 4.27Å; I732-F757 HydrophobicContact CG1-CD1 4.42Å; F736-F757 HydrophobicContact CD2-CD1 4.48Å; F736-F757 AromaticContact CD2-CE1 3.67Å; F736-F757 HydrophobicContact CD2-CE1 3.67Å; F736-F757 HydrophobicContact CD2-CE2 4.03Å; F736-F757 AromaticContact CD2-CZ 3.4Å; F736-F757 HydrophobicContact CD2-CZ 3.4Å; F736-F757 VanDerWaalsContact CD2-CZ 3.4Å; F736-F757 AromaticContact CE2-CD1 3.94Å; F736-F757 HydrophobicContact CE2-CD1 3.94Å; F736-F757 HydrophobicContact CE2-CD2 4.41Å; F736-F757 AromaticContact CE2-CE1 3.57Å; F736-F757 HydrophobicContact CE2-CE1 3.57Å; F736-F757 HydrophobicContact CE2-CE2 4.07Å; F736-F757 HydrophobicContact CE2-CG 4.34Å; F736-F757 AromaticContact CE2-CZ 3.65Å; F736-F757 HydrophobicContact CE2-CZ 3.65Å; F755-F757 HydrophobicContact CB-CE2 4.37Å; F757-K759 PolarHBondContact O-N 2.72Å; F757-V760 HydrophobicContact CB-CG2 4.1Å; F757-L768 HydrophobicContact CE2-CD2 4Å; F757-L768 HydrophobicContact CZ-CD2 3.99Å
758R92.1Very high92.6Very high139 Ų13938.4 Ų38.453%0.52519%0.185SC..EExtended strand (participates in β ladder)trans-60-42.8-167.1-173176.5-174.2-172.41.4113.2Y700 V756 Y821 E824Y700-R758 WeakPolarHBondContact CD2-O 3.4Å; V756-R758 HydrophobicContact CG1-CB 4.19Å; V756-R758 PolarHBondContact O-N 3.21Å; R758-Y821 VanDerWaalsContact O-CD2 3.31Å; R758-Y821 WeakPolarHBondContact O-CD2 3.43Å; R758-E824 IonicContact CZ-OE1 3.93Å; R758-E824 VanDerWaalsContact CZ-OE1 3.24Å; R758-E824 IonicContact NH1-OE1 3.51Å; R758-E824 PolarHBondContact NH1-OE1 2.69Å; R758-E824 IonicContact NH2-OE1 3.38Å; R758-E824 PolarHBondContact NH2-OE1 3.04Å
759K92.6Very high92.8Very high67 Ų6738.6 Ų38.629%0.29119%0.186SC..EExtended strand (participates in β ladder)trans-134.3108.9-177.1-176.7-169.3-174.1-1690108.6E690 F757 V761 Y821E690-K759 PolarHBondContact O-NZ 2.85Å; F757-K759 PolarHBondContact O-N 2.72Å; K759-V761 HydrophobicContact CD-CG2 4.35Å; K759-V761 HydrophobicContact CG-CG2 4.35Å; K759-Y821 HydrophobicContact CB-CD2 4.05Å; K759-Y821 HydrophobicContact CB-CE2 3.9Å; K759-Y821 HydrophobicContact CD-CE1 4.17Å; K759-Y821 HydrophobicContact CG-CD1 4.15Å; K759-Y821 HydrophobicContact CG-CD2 4.2Å; K759-Y821 HydrophobicContact CG-CE1 3.98Å; K759-Y821 HydrophobicContact CG-CE2 4.06Å; K759-Y821 HydrophobicContact CG-CG 4.24Å
760V94.2Very high92.9Very high1 Ų135 Ų351%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-105.1102.4169.1-172.20000107A698 A699 M724 D730 F757 L762 P763 A766 L787A698-V760 CarbonylContact C-O 3.51Å; A698-V760 VanDerWaalsContact CA-O 3.26Å; A698-V760 WeakPolarHBondContact CA-O 3.47Å; A698-V760 WeakPolarHBondContact CB-O 3.48Å; A699-V760 HydrophobicContact CB-CB 4.39Å; A699-V760 PolarHBondContact N-O 3.45Å; A699-V760 PolarHBondContact O-N 3.34Å; M724-V760 HydrophobicContact CE-CG2 3.92Å; M724-V760 HydrophobicContact SD-CB 4.47Å; M724-V760 HydrophobicContact SD-CG1 3.97Å; M724-V760 HydrophobicContact SD-CG2 3.65Å; D730-V760 HydrophobicContact CB-CG1 4.33Å; D730-V760 WeakPolarHBondContact OD1-CA 3.33Å; F757-V760 HydrophobicContact CB-CG2 4.1Å; V760-L762 VanDerWaalsContact C-N 3.33Å; V760-L762 PolarHBondContact O-N 2.89Å; V760-P763 HydrophobicContact CG1-CG 4.32Å; V760-A766 HydrophobicContact CG1-CB 3.95Å; V760-L787 HydrophobicContact CB-CD2 4.29Å; V760-L787 HydrophobicContact CG1-CD2 3.88Å; V760-L787 HydrophobicContact CG2-CD2 4.24Å
761V91.9Very high93Very high0 Ų034 Ų340%016%0.163CC..SBendtrans-60.3-42.6-177.11740000110.9V693 L727 T729 D730 K759V693-V761 HydrophobicContact CG2-CG1 4.43Å; L727-V761 HydrophobicContact CD1-CG1 4.2Å; T729-V761 HydrophobicContact CG2-CB 3.95Å; T729-V761 HydrophobicContact CG2-CG2 3.63Å; D730-V761 WeakPolarHBondContact OD1-CB 3.35Å; D730-V761 PolarHBondContact OD1-N 3.08Å; D730-V761 PolarHBondContact OD2-N 3.42Å; K759-V761 HydrophobicContact CD-CG2 4.35Å; K759-V761 HydrophobicContact CG-CG2 4.35Å
762L91.3Very high93.8Very high0 Ų030.4 Ų30.40%014%0.144CC..  trans-130.578.7-175.1-159.771.9000113.2F677 F685 V693 V696 L727 D730 V760 E764 L765 A766F677-L762 HydrophobicContact CE1-CD1 3.56Å; F677-L762 HydrophobicContact CE2-CD1 3.9Å; F677-L762 HydrophobicContact CE2-CD2 3.86Å; F677-L762 HydrophobicContact CE2-CG 4.48Å; F677-L762 HydrophobicContact CZ-CD1 3.12Å; F677-L762 HydrophobicContact CZ-CD2 3.55Å; F677-L762 HydrophobicContact CZ-CG 3.77Å; F685-L762 HydrophobicContact CZ-CD2 4.12Å; V693-L762 HydrophobicContact CG2-CD1 4.49Å; V696-L762 HydrophobicContact CB-CD1 4.34Å; V696-L762 HydrophobicContact CG1-CD1 3.78Å; V696-L762 HydrophobicContact CG2-CD1 4.05Å; L727-L762 HydrophobicContact CD1-CB 3.55Å; L727-L762 HydrophobicContact CD1-CD2 3.86Å; L727-L762 HydrophobicContact CD1-CG 4.3Å; L727-L762 HydrophobicContact CD2-CD2 3.91Å; L727-L762 HydrophobicContact CG-CB 3.87Å; L727-L762 HydrophobicContact CG-CD2 3.89Å; D730-L762 PolarHBondContact OD2-N 3.33Å; V760-L762 VanDerWaalsContact C-N 3.33Å; V760-L762 PolarHBondContact O-N 2.89Å; L762-E764 VanDerWaalsContact C-N 3.31Å; L762-E764 PolarHBondContact O-N 3.06Å; L762-L765 HydrophobicContact CD2-CB 3.64Å; L762-L765 HydrophobicContact CD2-CD2 3.96Å; L762-L765 HydrophobicContact CD2-CG 4.34Å; L762-L765 HydrophobicContact CG-CB 4.14Å; L762-L765 PolarHBondContact O-N 2.81Å; L762-A766 PolarHBondContact O-N 3.08Å
763P92.3Very high94.8Very high14 Ų1430.6 Ų30.69%0.09114%0.144CC..THydrogen-bonded Turntrans-57-37.4-176.1-28.838.3000114.7A699 V760 L765 A766 L787A699-P763 HydrophobicContact CB-CB 4.1Å; A699-P763 HydrophobicContact CB-CG 3.43Å; A699-P763 VanDerWaalsContact CB-CG 3.43Å; V760-P763 HydrophobicContact CG1-CG 4.32Å; P763-L765 PolarHBondContact O-N 2.83Å; P763-A766 PolarHBondContact O-N 3.14Å; P763-L787 HydrophobicContact CB-CD2 3.96Å; P763-L787 WeakPolarHBondContact O-CB 3.43Å
764E90Very high95Very high103 Ų10324 Ų2448%0.48111%0.113SC..THydrogen-bonded Turntrans-63.2-27.9-178-70.7-175.5-175.200113.4P675 L762P675-E764 WeakPolarHBondContact CB-OE2 3.13Å; P675-E764 HydrophobicContact CG-CB 4.2Å; L762-E764 VanDerWaalsContact C-N 3.31Å; L762-E764 PolarHBondContact O-N 3.06Å
765L91.7Very high94.9Very high4 Ų426.5 Ų26.52%0.02112%0.121CC..THydrogen-bonded Turntrans-93-22.7-179.5-149.777.7000112.2N639 K662 P675 M678 L727 L762 P763N639-L765 HydrophobicContact CB-CD2 4.34Å; N639-L765 WeakPolarHBondContact OD1-CD2 3.38Å; K662-L765 PolarHBondContact NZ-O 2.78Å; K662-L765 VanDerWaalsContact NZ-O 3.11Å; P675-L765 HydrophobicContact CG-CD1 3.92Å; M678-L765 HydrophobicContact SD-CD1 4.28Å; L727-L765 HydrophobicContact CD2-CD2 3.91Å; L762-L765 HydrophobicContact CD2-CB 3.64Å; L762-L765 HydrophobicContact CD2-CD2 3.96Å; L762-L765 HydrophobicContact CD2-CG 4.34Å; L762-L765 HydrophobicContact CG-CB 4.14Å; L762-L765 PolarHBondContact O-N 2.81Å; P763-L765 PolarHBondContact O-N 2.83Å
766A94.7Very high94.8Very high0 Ų032 Ų320%015%0.151CC..  trans-73.9140.1-17500000113M724 Y725 V760 L762 P763 L787M724-A766 HydrophobicContact CG-CB 4.39Å; M724-A766 HydrophobicContact SD-CB 4.27Å; Y725-A766 CarbonylContact O-C 3.45Å; Y725-A766 VanDerWaalsContact O-CA 3.28Å; Y725-A766 WeakPolarHBondContact O-CA 3.11Å; V760-A766 HydrophobicContact CG1-CB 3.95Å; L762-A766 PolarHBondContact O-N 3.08Å; P763-A766 PolarHBondContact O-N 3.14Å; A766-L787 HydrophobicContact CB-CB 4.34Å; A766-L787 HydrophobicContact CB-CD2 4.45Å; A766-L787 PolarHBondContact O-N 3.02Å
767V96.9Very high94.6Very high2 Ų231.2 Ų31.21%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-128.7141173-56.50000109.8L658 K662 M724 Y725 I784 P786L658-V767 HydrophobicContact CD2-CG2 3.96Å; K662-V767 HydrophobicContact CG-CG1 4.35Å; M724-V767 WeakPolarHBondContact CA-O 3.49Å; Y725-V767 PolarHBondContact N-O 3.34Å; Y725-V767 PolarHBondContact O-N 3.1Å; V767-I784 HydrophobicContact CB-CG2 4.12Å; V767-I784 HydrophobicContact CG2-CG2 4.32Å; V767-P786 HydrophobicContact CG1-CB 4.34Å; V767-P786 HydrophobicContact CG1-CG 4.41Å
768L97.6Very high94.6Very high0 Ų037.8 Ų37.80%018%0.182CC..EExtended strand (participates in β ladder)trans-94.1139.1170.7-75.4159.2000109.7I703 V722 E723 M724 F757 F770 I784 L785 L787 L790I703-L768 HydrophobicContact CD1-CD1 3.57Å; I703-L768 HydrophobicContact CD1-CD2 3.46Å; I703-L768 VanDerWaalsContact CD1-CD2 3.46Å; I703-L768 HydrophobicContact CD1-CG 4.09Å; V722-L768 HydrophobicContact CG1-CD2 4.25Å; E723-L768 CarbonylContact O-C 3.59Å; E723-L768 WeakPolarHBondContact O-CA 3.41Å; M724-L768 HydrophobicContact CB-CD2 4.22Å; M724-L768 HydrophobicContact CE-CD2 3.61Å; M724-L768 HydrophobicContact CE-CG 4.02Å; F757-L768 HydrophobicContact CE2-CD2 4Å; F757-L768 HydrophobicContact CZ-CD2 3.99Å; L768-F770 HydrophobicContact CB-CE2 3.88Å; L768-I784 CarbonylContact O-C 3.57Å; L768-I784 VanDerWaalsContact O-CA 3.26Å; L768-I784 WeakPolarHBondContact O-CA 3.32Å; L768-L785 PolarHBondContact N-O 2.77Å; L768-L785 PolarHBondContact O-N 3.37Å; L768-L787 HydrophobicContact CD1-CD1 3.78Å; L768-L787 HydrophobicContact CG-CD1 4.46Å; L768-L790 HydrophobicContact CD1-CD2 3.61Å
769R97.7Very high94.8Very high5 Ų533.1 Ų33.12%0.01917%0.167CC..EExtended strand (participates in β ladder)trans-118.9115.5172.7178.4-179.2175.4-89.6-6.7109.1L654 V722 E723 Y725 Y773 R783 I784L654-R769 VanDerWaalsContact CD1-CD 3.47Å; L654-R769 VanDerWaalsContact CD1-NE 3.33Å; V722-R769 CarbonylContact C-O 3.58Å; V722-R769 WeakPolarHBondContact CA-O 2.84Å; E723-R769 HydrophobicContact CB-CB 4.43Å; E723-R769 PolarHBondContact N-O 2.66Å; E723-R769 PolarHBondContact O-N 2.93Å; E723-R769 IonicContact OE2-NH1 3.44Å; E723-R769 PolarHBondContact OE2-NH1 2.72Å; Y725-R769 HydrophobicContact CD2-CB 4.35Å; Y725-R769 HydrophobicContact CE2-CB 4.1Å; R769-Y773 PolarHBondContact NH1-OH 2.98Å; R769-Y773 PolarHBondContact NH2-OH 2.85Å; R769-Y773 VanDerWaalsContact NH2-OH 3.12Å; R769-R783 WeakPolarHBondContact CA-O 3.39Å; R769-I784 HydrophobicContact CB-CG1 4.19Å; R769-I784 HydrophobicContact CG-CG1 4.14Å
770F97.9Very high94.9Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-94126.7169.4-61.2-102.5000107.6I703 V722 L768 Q782 R783 L785 I797 L812I703-F770 HydrophobicContact CD1-CE1 4.38Å; I703-F770 HydrophobicContact CD1-CZ 3.89Å; I703-F770 HydrophobicContact CG2-CE1 3.71Å; I703-F770 HydrophobicContact CG2-CZ 4.17Å; V722-F770 HydrophobicContact CG1-CD1 4.34Å; V722-F770 HydrophobicContact CG1-CE1 4.17Å; V722-F770 HydrophobicContact CG1-CZ 4.44Å; V722-F770 HydrophobicContact CG2-CD1 3.86Å; V722-F770 HydrophobicContact CG2-CE1 4.16Å; L768-F770 HydrophobicContact CB-CE2 3.88Å; F770-Q782 CarbonylContact O-C 3.53Å; F770-Q782 WeakPolarHBondContact O-CA 3.34Å; F770-Q782 WeakPolarHBondContact O-CB 3.11Å; F770-R783 HydrophobicContact CB-CB 4.45Å; F770-R783 PolarHBondContact N-O 3.25Å; F770-R783 PolarHBondContact O-N 2.72Å; F770-L785 HydrophobicContact CD2-CD1 4.27Å; F770-L785 HydrophobicContact CD2-CG 4.49Å; F770-L785 HydrophobicContact CE2-CD1 3.78Å; F770-L785 HydrophobicContact CE2-CG 4.28Å; F770-I797 HydrophobicContact CD1-CD1 3.87Å; F770-I797 HydrophobicContact CD2-CD1 4.26Å; F770-I797 HydrophobicContact CE1-CD1 3.49Å; F770-I797 VanDerWaalsContact CE1-CD1 3.49Å; F770-I797 HydrophobicContact CE2-CD1 3.95Å; F770-I797 HydrophobicContact CG-CD1 4.24Å; F770-I797 HydrophobicContact CZ-CD1 3.54Å; F770-L812 HydrophobicContact CB-CD1 4.13Å; F770-L812 HydrophobicContact CD1-CD1 4.39Å
771A97.8Very high95Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-136.2129.6179.900000110.6V720 E721 Y773 L779 Q782V720-A771 CarbonylContact C-O 3.54Å; V720-A771 WeakPolarHBondContact CA-O 3.5Å; E721-A771 PolarHBondContact N-O 2.8Å; E721-A771 PolarHBondContact O-N 3.16Å; A771-Y773 HydrophobicContact CB-CD2 4.34Å; A771-Y773 HydrophobicContact CB-CE2 3.51Å; A771-L779 HydrophobicContact CB-CD1 3.93Å; A771-Q782 HydrophobicContact CB-CB 4.31Å
772V97.8Very high95.2Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-104.9128.7179.1-177.50000109L711 V720 L780 G781 L799 L812L711-V772 HydrophobicContact CB-CG1 4.42Å; L711-V772 HydrophobicContact CD1-CG1 3.81Å; L711-V772 HydrophobicContact CD2-CG1 4.27Å; L711-V772 HydrophobicContact CD2-CG2 4.34Å; L711-V772 HydrophobicContact CG-CG1 4.4Å; V720-V772 HydrophobicContact CG2-CG2 4.18Å; V772-L780 HydrophobicContact CG1-CB 4.3Å; V772-L780 HydrophobicContact CG1-CD1 4.2Å; V772-L780 PolarHBondContact O-N 2.8Å; V772-G781 PolarHBondContact N-O 2.92Å; V772-L799 HydrophobicContact CB-CD1 4.16Å; V772-L799 HydrophobicContact CG2-CD1 3.52Å; V772-L799 HydrophobicContact CG2-CD2 4.17Å; V772-L812 HydrophobicContact CG2-CD1 3.84Å; V772-L812 HydrophobicContact CG2-CD2 3.81Å; V772-L812 HydrophobicContact CG2-CG 4.02Å
773Y97.4Very high95.5Very high34 Ų3432.6 Ų32.613%0.13317%0.166CC..EExtended strand (participates in β ladder)trans-121151.8179.8-64.7-88.3000111T718 Y719 E721 R769 A771 G777 K778 L779T718-Y773 VanDerWaalsContact CA-O 3.3Å; T718-Y773 WeakPolarHBondContact CA-O 3.17Å; Y719-Y773 HydrophobicContact CD2-CD2 4.28Å; Y719-Y773 AromaticContact CE2-CD2 3.61Å; Y719-Y773 HydrophobicContact CE2-CD2 3.61Å; Y719-Y773 AromaticContact CE2-CG 3.83Å; Y719-Y773 HydrophobicContact CE2-CG 3.83Å; Y719-Y773 AromaticContact CZ-CG 3.79Å; Y719-Y773 PolarHBondContact N-O 2.87Å; Y719-Y773 PolarHBondContact O-N 3.28Å; E721-Y773 HydrophobicContact CB-CE2 4.13Å; E721-Y773 HydrophobicContact CG-CD2 4.03Å; E721-Y773 HydrophobicContact CG-CE2 3.93Å; E721-Y773 VanDerWaalsContact OE2-CE2 3.27Å; E721-Y773 WeakPolarHBondContact OE2-CE2 3.22Å; R769-Y773 PolarHBondContact NH1-OH 2.98Å; R769-Y773 PolarHBondContact NH2-OH 2.85Å; R769-Y773 VanDerWaalsContact NH2-OH 3.12Å; A771-Y773 HydrophobicContact CB-CD2 4.34Å; A771-Y773 HydrophobicContact CB-CE2 3.51Å; Y773-G777 WeakPolarHBondContact CD1-O 3.03Å; Y773-K778 CarbonylContact C-O 3.45Å; Y773-K778 VanDerWaalsContact CA-O 3.28Å; Y773-K778 WeakPolarHBondContact CA-O 3.4Å; Y773-L779 HydrophobicContact CD1-CB 4.23Å; Y773-L779 HydrophobicContact CD1-CD1 4.2Å; Y773-L779 HydrophobicContact CE1-CB 3.98Å; Y773-L779 HydrophobicContact CE1-CD1 3.74Å; Y773-L779 HydrophobicContact CE1-CG 4.48Å; Y773-L779 HydrophobicContact CE2-CD1 4.25Å
774D95.6Very high95.7Very high14 Ų1431.9 Ų31.98%0.07516%0.162CC..EExtended strand (participates in β ladder)trans-79.4173.216678.40.3000112.1I716 G717 Y719 N776 G777 K778 L780I716-D774 HydrophobicContact CD1-CB 3.67Å; G717-D774 CarbonylContact O-C 3.58Å; G717-D774 WeakPolarHBondContact O-CA 3.43Å; Y719-D774 WeakPolarHBondContact CE1-O 3.3Å; D774-N776 PolarHBondContact O-N 3.08Å; D774-N776 VanDerWaalsContact O-N 3.08Å; D774-N776 VanDerWaalsContact OD1-CA 3.3Å; D774-N776 WeakPolarHBondContact OD1-CA 3.39Å; D774-N776 WeakPolarHBondContact OD1-CB 3.14Å; D774-N776 PolarHBondContact OD1-N 3.12Å; D774-G777 PolarHBondContact O-N 3.2Å; D774-G777 PolarHBondContact OD1-N 3.18Å; D774-K778 PolarHBondContact N-O 3.07Å; D774-K778 WeakPolarHBondContact OD1-CB 3.37Å; D774-K778 PolarHBondContact OD1-N 3.43Å; D774-L780 HydrophobicContact CB-CD1 4.2Å; D774-L780 HydrophobicContact CB-CD2 4.22Å; D774-L780 HydrophobicContact CB-CG 4.28Å
775E94.1Very high96Very high100 Ų10027 Ų2747%0.46714%0.139SC..THydrogen-bonded Turntrans-57.4-17.9175.864.3-167.8-161.800115.1G717 L740G717-E775 PolarHBondContact N-OE2 2.74Å; G717-E775 PolarHBondContact O-N 2.8Å; L740-E775 HydrophobicContact CD1-CB 3.99Å; L740-E775 HydrophobicContact CD2-CB 4.16Å
776N95Very high96.2Very high132 Ų13227.5 Ų27.571%0.70614%0.143SC*.THydrogen-bonded Turntrans-96.6-0.9177.2-55.3-61.3000113D774D774-N776 PolarHBondContact O-N 3.08Å; D774-N776 VanDerWaalsContact O-N 3.08Å; D774-N776 VanDerWaalsContact OD1-CA 3.3Å; D774-N776 WeakPolarHBondContact OD1-CA 3.39Å; D774-N776 WeakPolarHBondContact OD1-CB 3.14Å; D774-N776 PolarHBondContact OD1-N 3.12Å
777G93.8Very high96.2Very high37 Ų3727.5 Ų27.538%0.38114%0.143SC..SBendtrans80.415-176.100000114.4Y773 D774Y773-G777 WeakPolarHBondContact CD1-O 3.03Å; D774-G777 PolarHBondContact O-N 3.2Å; D774-G777 PolarHBondContact OD1-N 3.18Å
778K95.2Very high95.9Very high142 Ų14229.9 Ų29.962%0.61716%0.155SC*.  trans-75.7130.2170.2-174.9-174.4174.1-176.80109.4Y773 D774 L780Y773-K778 CarbonylContact C-O 3.45Å; Y773-K778 VanDerWaalsContact CA-O 3.28Å; Y773-K778 WeakPolarHBondContact CA-O 3.4Å; D774-K778 PolarHBondContact N-O 3.07Å; D774-K778 WeakPolarHBondContact OD1-CB 3.37Å; D774-K778 PolarHBondContact OD1-N 3.43Å; K778-L780 PolarHBondContact O-N 3.13Å
779L95.9Very high95.5Very high41 Ų4130.1 Ų30.122%0.21516%0.158CC..EExtended strand (participates in β ladder)trans-66.4124.8172.9-173.769000109.8A771 Y773 Q782 D802A771-L779 HydrophobicContact CB-CD1 3.93Å; Y773-L779 HydrophobicContact CD1-CB 4.23Å; Y773-L779 HydrophobicContact CD1-CD1 4.2Å; Y773-L779 HydrophobicContact CE1-CB 3.98Å; Y773-L779 HydrophobicContact CE1-CD1 3.74Å; Y773-L779 HydrophobicContact CE1-CG 4.48Å; Y773-L779 HydrophobicContact CE2-CD1 4.25Å; L779-Q782 HydrophobicContact CD1-CB 4.33Å; L779-Q782 HydrophobicContact CD2-CB 4.46Å; L779-Q782 HydrophobicContact CD2-CG 4.38Å; L779-D802 HydrophobicContact CD2-CB 4.21Å
780L94.8Very high95.4Very high37 Ų3729.9 Ų29.919%0.19416%0.157CC..EExtended strand (participates in β ladder)trans-94.3-33.6175.2-62.1-179000111.8I716 T718 V772 D774 K778 M807I716-L780 HydrophobicContact CD1-CD1 3.89Å; I716-L780 HydrophobicContact CD1-CD2 4.24Å; T718-L780 HydrophobicContact CG2-CD1 3.82Å; V772-L780 HydrophobicContact CG1-CB 4.3Å; V772-L780 HydrophobicContact CG1-CD1 4.2Å; V772-L780 PolarHBondContact O-N 2.8Å; D774-L780 HydrophobicContact CB-CD1 4.2Å; D774-L780 HydrophobicContact CB-CD2 4.22Å; D774-L780 HydrophobicContact CB-CG 4.28Å; K778-L780 PolarHBondContact O-N 3.13Å; L780-M807 WeakPolarHBondContact O-CE 3.35Å
781G95.6Very high95.2Very high1 Ų131.1 Ų31.11%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-179159177.100000110.8V772 R800V772-G781 PolarHBondContact N-O 2.92Å; G781-R800 CarbonylContact C-O 3.59Å; G781-R800 VanDerWaalsContact CA-O 3.25Å; G781-R800 WeakPolarHBondContact CA-O 3.44Å
782Q96.9Very high95.1Very high0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans-140.8161.2179.766.682.720.500111.6Q657 F770 A771 L779 R800 T801Q657-Q782 HydrophobicContact CG-CG 4.38Å; F770-Q782 CarbonylContact O-C 3.53Å; F770-Q782 WeakPolarHBondContact O-CA 3.34Å; F770-Q782 WeakPolarHBondContact O-CB 3.11Å; A771-Q782 HydrophobicContact CB-CB 4.31Å; L779-Q782 HydrophobicContact CD1-CB 4.33Å; L779-Q782 HydrophobicContact CD2-CB 4.46Å; L779-Q782 HydrophobicContact CD2-CG 4.38Å; Q782-R800 PolarHBondContact N-O 2.87Å; Q782-R800 VanDerWaalsContact O-CA 3.31Å; Q782-R800 WeakPolarHBondContact O-CA 3.37Å; Q782-R800 WeakPolarHBondContact O-CB 3.38Å; Q782-R800 PolarHBondContact O-N 3.02Å; Q782-T801 PolarHBondContact NE2-O 2.92Å; Q782-T801 VanDerWaalsContact NE2-O 3.11Å
783R96.8Very high95Very high18 Ų1831.4 Ų31.47%0.06816%0.164CC..EExtended strand (participates in β ladder)trans-143.5134.3170.1-174.866.6179.6145.6-1.7110.1E664 R769 F770 L785 I797 S798 L799 R800E664-R783 IonicContact OE1-CZ 3.61Å; E664-R783 IonicContact OE1-NH1 3.28Å; E664-R783 IonicContact OE1-NH2 2.85Å; E664-R783 PolarHBondContact OE1-NH2 2.94Å; E664-R783 IonicContact OE2-CZ 3.95Å; E664-R783 IonicContact OE2-NH1 2.77Å; E664-R783 PolarHBondContact OE2-NH1 3.42Å; E664-R783 IonicContact OE2-NH2 3.56Å; R769-R783 WeakPolarHBondContact CA-O 3.39Å; F770-R783 HydrophobicContact CB-CB 4.45Å; F770-R783 PolarHBondContact N-O 3.25Å; F770-R783 PolarHBondContact O-N 2.72Å; R783-L785 HydrophobicContact CG-CD2 3.75Å; R783-L785 HydrophobicContact CG-CG 3.99Å; R783-I797 HydrophobicContact CB-CG2 3.78Å; R783-I797 HydrophobicContact CG-CG2 3.61Å; R783-S798 WeakPolarHBondContact CD-O 3.47Å; R783-L799 HydrophobicContact CB-CD2 4.38Å; R783-R800 VanDerWaalsContact NH1-NH2 3.12Å
784I97.2Very high95Very high0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-109.9125.6174.5-68.8148.8000110.2Q657 L658 Y665 V767 L768 R769Q657-I784 HydrophobicContact CB-CD1 4.14Å; Q657-I784 WeakPolarHBondContact O-CD1 3.36Å; L658-I784 HydrophobicContact CD2-CD1 4.16Å; L658-I784 HydrophobicContact CD2-CG1 4.25Å; Y665-I784 PolarHBondContact OH-O 3.18Å; V767-I784 HydrophobicContact CB-CG2 4.12Å; V767-I784 HydrophobicContact CG2-CG2 4.32Å; L768-I784 CarbonylContact O-C 3.57Å; L768-I784 VanDerWaalsContact O-CA 3.26Å; L768-I784 WeakPolarHBondContact O-CA 3.32Å; R769-I784 HydrophobicContact CB-CG1 4.19Å; R769-I784 HydrophobicContact CG-CG1 4.14Å
785L96.3Very high95Very high0 Ų031.7 Ų31.70%016%0.164CC..EExtended strand (participates in β ladder)trans-127.8114.4-177.9-57.1-178.2000109.7P297 M298 Y665 L768 F770 R783 L790 I797P297-L785 HydrophobicContact CB-CD1 4.25Å; M298-L785 HydrophobicContact CG-CD2 3.86Å; M298-L785 HydrophobicContact SD-CB 4.11Å; M298-L785 HydrophobicContact SD-CD2 4.2Å; Y665-L785 WeakPolarHBondContact OH-CD2 3.36Å; L768-L785 PolarHBondContact N-O 2.77Å; L768-L785 PolarHBondContact O-N 3.37Å; F770-L785 HydrophobicContact CD2-CD1 4.27Å; F770-L785 HydrophobicContact CD2-CG 4.49Å; F770-L785 HydrophobicContact CE2-CD1 3.78Å; F770-L785 HydrophobicContact CE2-CG 4.28Å; R783-L785 HydrophobicContact CG-CD2 3.75Å; R783-L785 HydrophobicContact CG-CG 3.99Å; L785-L790 HydrophobicContact CB-CD1 3.99Å; L785-L790 HydrophobicContact CD1-CD1 3.73Å; L785-L790 HydrophobicContact CG-CD1 4.47Å; L785-I797 HydrophobicContact CD1-CD1 4.15Å; L785-I797 HydrophobicContact CD1-CG1 4.44Å; L785-I797 HydrophobicContact CD1-CG2 4.26Å
786P95.5Very high95Very high15 Ų1527.8 Ų27.810%0.09715%0.146CC..EExtended strand (participates in β ladder)trans-59.1143.4169.9-21.732.8000111.3Y665 V767 D788Y665-P786 HydrophobicContact CD1-CG 4.28Å; Y665-P786 HydrophobicContact CD2-CG 3.51Å; Y665-P786 HydrophobicContact CE1-CG 4.18Å; Y665-P786 HydrophobicContact CE2-CG 3.4Å; Y665-P786 HydrophobicContact CG-CG 3.97Å; Y665-P786 VanDerWaalsContact OH-CD 3.24Å; Y665-P786 WeakPolarHBondContact OH-CD 3.11Å; V767-P786 HydrophobicContact CG1-CB 4.34Å; V767-P786 HydrophobicContact CG1-CG 4.41Å; P786-D788 VanDerWaalsContact C-N 3.27Å; P786-D788 PolarHBondContact O-N 2.85Å
787L94.2Very high95Very high0 Ų021.5 Ų21.50%011%0.113CC..SBendtrans-72.1-26.7176.9-153.268.6000111.6A699 C701 M724 V760 P763 A766 L768 G789 L790 L818A699-L787 HydrophobicContact CB-CD2 4.37Å; C701-L787 HydrophobicContact CB-CD1 4.21Å; M724-L787 HydrophobicContact CE-CD1 4.44Å; M724-L787 HydrophobicContact CE-CD2 4.41Å; V760-L787 HydrophobicContact CB-CD2 4.29Å; V760-L787 HydrophobicContact CG1-CD2 3.88Å; V760-L787 HydrophobicContact CG2-CD2 4.24Å; P763-L787 HydrophobicContact CB-CD2 3.96Å; P763-L787 WeakPolarHBondContact O-CB 3.43Å; A766-L787 HydrophobicContact CB-CB 4.34Å; A766-L787 HydrophobicContact CB-CD2 4.45Å; A766-L787 PolarHBondContact O-N 3.02Å; L768-L787 HydrophobicContact CD1-CD1 3.78Å; L768-L787 HydrophobicContact CG-CD1 4.46Å; L787-G789 PolarHBondContact O-N 3.15Å; L787-L790 HydrophobicContact CD1-CD2 3.87Å; L787-L818 HydrophobicContact CD1-CD2 3.94Å
788D90.5Very high94.9Very high52 Ų5220.7 Ų20.728%0.27810%0.101SC..THydrogen-bonded Turntrans-68.7113.3164.7176.429.8000110.3M298 R302 P786M298-D788 WeakPolarHBondContact CE-O 3.2Å; R302-D788 IonicContact CZ-OD1 2.72Å; R302-D788 IonicContact CZ-OD2 2.96Å; R302-D788 IonicContact NE-OD1 3.88Å; R302-D788 PolarHBondContact NE-OD1 3.03Å; R302-D788 IonicContact NE-OD2 3.91Å; R302-D788 PolarHBondContact NE-OD2 3.37Å; R302-D788 IonicContact NH2-OD1 3.87Å; R302-D788 PolarHBondContact NH2-OD1 2.77Å; R302-D788 IonicContact NH2-OD2 3.34Å; R302-D788 PolarHBondContact NH2-OD2 2.86Å; P786-D788 VanDerWaalsContact C-N 3.27Å; P786-D788 PolarHBondContact O-N 2.85Å
789G89.7Confident94.8Very high5 Ų514 Ų145%0.0527%0.072CC..THydrogen-bonded Turntrans90.5-3.5179.800000115.8M298 L299 L787M298-G789 VanDerWaalsContact CE-C 3.46Å; L299-G789 PolarHBondContact N-O 3.26Å; L787-G789 PolarHBondContact O-N 3.15Å
790L94.5Very high94.6Very high0 Ų012.4 Ų12.40%06%0.063CC..BIsolated β-bridgetrans-62.3139.4171-171.170.1000110.4P297 M298 L768 L785 L787 I816 L818P297-L790 WeakPolarHBondContact O-CD1 3.4Å; M298-L790 HydrophobicContact SD-CB 4.15Å; M298-L790 HydrophobicContact SD-CD1 3.81Å; L768-L790 HydrophobicContact CD1-CD2 3.61Å; L785-L790 HydrophobicContact CB-CD1 3.99Å; L785-L790 HydrophobicContact CD1-CD1 3.73Å; L785-L790 HydrophobicContact CG-CD1 4.47Å; L787-L790 HydrophobicContact CD1-CD2 3.87Å; L790-I816 HydrophobicContact CD1-CD1 4.15Å; L790-I816 HydrophobicContact CD2-CD1 4.46Å; L790-I816 HydrophobicContact CD2-CG2 3.95Å; L790-I816 HydrophobicContact CG-CD1 4.45Å; L790-I816 HydrophobicContact CG-CG2 4.44Å; L790-L818 HydrophobicContact CB-CD1 4.01Å; L790-L818 HydrophobicContact CD2-CD1 4.05Å; L790-L818 HydrophobicContact CD2-CD2 4.3Å; L790-L818 HydrophobicContact CG-CD1 4.03Å; L790-L818 WeakPolarHBondContact O-CD1 3.44Å
791Q94Very high94.5Very high26 Ų2612.3 Ų12.312%0.1216%0.064CC..  trans-105.2133.9178.3-63.2-63.4-8600111P297 L299P297-Q791 PolarHBondContact O-N 2.75Å; L299-Q791 HydrophobicContact CD2-CG 4.29Å; L299-Q791 HydrophobicContact CG-CG 4.16Å
792P96.1Very high94.2Very high5 Ų515.4 Ų15.43%0.0328%0.08CC..  trans-78.6-178.8176.736.2-37.4000111.9Q244 R245 D246 R795 I816 L818Q244-P792 PolarHBondContact OE1-O 2.84Å; R245-P792 VanDerWaalsContact C-CG 3.44Å; R245-P792 VanDerWaalsContact O-CG 3.26Å; R245-P792 WeakPolarHBondContact O-CG 3.38Å; D246-P792 HydrophobicContact CB-CG 4.08Å; P792-R795 VanDerWaalsContact O-CZ 3.23Å; P792-R795 PolarHBondContact O-NE 3.26Å; P792-R795 PolarHBondContact O-NH2 3.33Å; P792-I816 CarbonylContact C-O 3.53Å; P792-I816 VanDerWaalsContact CA-O 3.28Å; P792-I816 WeakPolarHBondContact CA-O 3.48Å; P792-I816 VanDerWaalsContact CB-O 3.27Å; P792-I816 WeakPolarHBondContact CB-O 3.1Å; P792-L818 HydrophobicContact CB-CB 4.24Å; P792-L818 HydrophobicContact CB-CD1 4.37Å; P792-L818 HydrophobicContact CB-CG 4.27Å
793G96.3Very high93.7Very high0 Ų016.2 Ų16.20%08%0.084CC..EExtended strand (participates in β ladder)trans86.4-157.4-178.300000113V243 H815 I816V243-G793 WeakPolarHBondContact O-CA 3.38Å; V243-G793 PolarHBondContact O-N 2.67Å; G793-H815 WeakPolarHBondContact O-CA 3.41Å; G793-I816 PolarHBondContact N-O 3.16Å; G793-I816 PolarHBondContact O-N 2.94Å
794Y97.2Very high93.4Very high43 Ų4315.9 Ų15.917%0.1698%0.084CC..EExtended strand (participates in β ladder)trans-85.1115.2-176.1-65.1-77.7000110.4I219 F239 V243 Q244 S295 I706 F813 C814 H815I219-Y794 HydrophobicContact CD1-CD1 3.82Å; I219-Y794 HydrophobicContact CD1-CE1 3.46Å; I219-Y794 VanDerWaalsContact CD1-CE1 3.46Å; I219-Y794 HydrophobicContact CG1-CE1 4.1Å; I219-Y794 HydrophobicContact CG2-CD2 4.31Å; I219-Y794 HydrophobicContact CG2-CE1 4.28Å; I219-Y794 HydrophobicContact CG2-CE2 3.79Å; F239-Y794 AromaticContact CE2-CD2 3.79Å; F239-Y794 HydrophobicContact CE2-CD2 3.79Å; F239-Y794 HydrophobicContact CE2-CE2 4.03Å; F239-Y794 AromaticContact CZ-CD2 3.99Å; F239-Y794 HydrophobicContact CZ-CD2 3.99Å; V243-Y794 HydrophobicContact CG1-CD2 4.03Å; V243-Y794 HydrophobicContact CG1-CE2 3.88Å; Q244-Y794 PolarHBondContact NE2-O 3.3Å; S295-Y794 PolarHBondContact OG-O 3.43Å; I706-Y794 HydrophobicContact CD1-CD1 3.86Å; I706-Y794 HydrophobicContact CD1-CE1 3.81Å; Y794-F813 HydrophobicContact CD1-CE1 4.21Å; Y794-F813 AromaticContact CD1-CZ 3.85Å; Y794-F813 HydrophobicContact CD1-CZ 3.85Å; Y794-F813 HydrophobicContact CG-CZ 4.13Å; Y794-C814 WeakPolarHBondContact CA-O 3.48Å; Y794-H815 HydrophobicContact CD1-CB 3.8Å; Y794-H815 AromaticContact CD1-CD2 3.78Å; Y794-H815 HydrophobicContact CE1-CB 3.72Å; Y794-H815 AromaticContact CE1-CD2 3.6Å; Y794-H815 AromaticContact CE1-CG 3.81Å; Y794-H815 AromaticContact CE2-CD2 3.88Å; Y794-H815 AromaticContact CG-CD2 3.99Å; Y794-H815 AromaticContact CZ-CD2 3.67Å
795R95Very high92.8Very high11 Ų1118.3 Ų18.34%0.04210%0.095CC..EExtended strand (participates in β ladder)trans-128.4136.9-172.5-56.8-62.5174174.8-7.7111.5Q244 S295 A296 P297 P792 C814 I816Q244-R795 PolarHBondContact O-NH2 2.71Å; S295-R795 VanDerWaalsContact CA-NH1 3.28Å; S295-R795 WeakPolarHBondContact O-CD 3.35Å; S295-R795 PolarHBondContact O-NH1 3.29Å; A296-R795 PolarHBondContact O-NH1 3.02Å; P297-R795 HydrophobicContact CB-CB 4.15Å; P297-R795 HydrophobicContact CB-CG 4.43Å; P792-R795 VanDerWaalsContact O-CZ 3.23Å; P792-R795 PolarHBondContact O-NE 3.26Å; P792-R795 PolarHBondContact O-NH2 3.33Å; R795-C814 PolarHBondContact N-O 3.01Å; R795-C814 PolarHBondContact O-N 2.88Å; R795-I816 HydrophobicContact CB-CD1 4.31Å; R795-I816 HydrophobicContact CG-CD1 4.18Å
796H94.5Very high92.2Very high18 Ų1819.6 Ų19.68%0.08310%0.103CC..EExtended strand (participates in β ladder)trans-84.5129.7162.3-70.291.9000108.9R213 L290 T811 L812 F813R213-H796 PolarHBondContact NH1-NE2 3.48Å; L290-H796 PolarHBondContact O-ND1 3.43Å; H796-T811 HydrophobicContact CB-CG2 3.8Å; H796-L812 CarbonylContact C-O 3.58Å; H796-L812 WeakPolarHBondContact CA-O 3.49Å; H796-F813 AromaticContact CD2-CD2 3.78Å; H796-F813 AromaticContact CE1-CD2 3.52Å; H796-F813 AromaticContact CE1-CE2 3.71Å; H796-F813 AromaticContact CG-CD2 4Å; H796-F813 AromaticContact ND1-CD2 3.84Å; H796-F813 AromaticContact NE2-CD2 3.46Å; H796-F813 WeakPolarHBondContact NE2-CD2 3.17Å
797I95Very high91.5Very high1 Ų120.9 Ų20.91%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-116.296.3-179.6-57178.5000106.9P297 F770 R783 L785 L799 T811 L812 C814 I816P297-I797 HydrophobicContact CB-CG1 4.44Å; F770-I797 HydrophobicContact CD1-CD1 3.87Å; F770-I797 HydrophobicContact CD2-CD1 4.26Å; F770-I797 HydrophobicContact CE1-CD1 3.49Å; F770-I797 VanDerWaalsContact CE1-CD1 3.49Å; F770-I797 HydrophobicContact CE2-CD1 3.95Å; F770-I797 HydrophobicContact CG-CD1 4.24Å; F770-I797 HydrophobicContact CZ-CD1 3.54Å; R783-I797 HydrophobicContact CB-CG2 3.78Å; R783-I797 HydrophobicContact CG-CG2 3.61Å; L785-I797 HydrophobicContact CD1-CD1 4.15Å; L785-I797 HydrophobicContact CD1-CG1 4.44Å; L785-I797 HydrophobicContact CD1-CG2 4.26Å; I797-L799 PolarHBondContact O-N 3.03Å; I797-T811 WeakPolarHBondContact O-CA 3.48Å; I797-L812 HydrophobicContact CB-CB 4.34Å; I797-L812 PolarHBondContact N-O 3.27Å; I797-L812 PolarHBondContact O-N 3.29Å; I797-C814 HydrophobicContact CD1-CB 4.09Å; I797-I816 HydrophobicContact CD1-CD1 4.41Å
798S91.6Very high90.7Very high19 Ų1923.2 Ų23.213%0.13312%0.123CC..EExtended strand (participates in β ladder)trans-64.2129.2174-47.40000109.6P153 R783P153-S798 PolarHBondContact O-OG 2.95Å; R783-S798 WeakPolarHBondContact CD-O 3.47Å
799L94.1Very high90.2Very high1 Ų122.2 Ų22.21%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-79.8164.1-177.9-61176.4000111.5L711 V772 R783 I797 M807 P810 L812L711-L799 HydrophobicContact CD2-CD1 3.79Å; V772-L799 HydrophobicContact CB-CD1 4.16Å; V772-L799 HydrophobicContact CG2-CD1 3.52Å; V772-L799 HydrophobicContact CG2-CD2 4.17Å; R783-L799 HydrophobicContact CB-CD2 4.38Å; I797-L799 PolarHBondContact O-N 3.03Å; L799-M807 HydrophobicContact CB-SD 4.06Å; L799-M807 WeakPolarHBondContact O-CB 3.32Å; L799-M807 PolarHBondContact O-N 3.16Å; L799-P810 HydrophobicContact CB-CB 4.18Å; L799-P810 WeakPolarHBondContact CB-O 3.42Å; L799-P810 HydrophobicContact CD1-CB 3.89Å; L799-P810 HydrophobicContact CG-CB 4.41Å; L799-P810 PolarHBondContact N-O 3.41Å; L799-L812 HydrophobicContact CD2-CD1 3.96Å; L799-L812 HydrophobicContact CD2-CG 4.07Å
800R91.7Very high90.2Very high8 Ų822.8 Ų22.83%0.0312%0.12CC..EExtended strand (participates in β ladder)trans-126.2160.1177.4-54.4-66.2-174.590.7-2.5110.1P153 E664 G781 Q782 R783 N804 F805 P806P153-R800 VanDerWaalsContact CG-NH2 3.27Å; E664-R800 IonicContact OE1-CZ 3.64Å; E664-R800 VanDerWaalsContact OE1-CZ 3.27Å; E664-R800 IonicContact OE1-NH1 3.48Å; E664-R800 PolarHBondContact OE1-NH1 3.37Å; E664-R800 IonicContact OE1-NH2 3.25Å; E664-R800 PolarHBondContact OE1-NH2 3.13Å; E664-R800 IonicContact OE2-CZ 2.72Å; E664-R800 IonicContact OE2-NH1 3.63Å; E664-R800 PolarHBondContact OE2-NH1 3.24Å; E664-R800 IonicContact OE2-NH2 2.84Å; G781-R800 CarbonylContact C-O 3.59Å; G781-R800 VanDerWaalsContact CA-O 3.25Å; G781-R800 WeakPolarHBondContact CA-O 3.44Å; Q782-R800 PolarHBondContact N-O 2.87Å; Q782-R800 VanDerWaalsContact O-CA 3.31Å; Q782-R800 WeakPolarHBondContact O-CA 3.37Å; Q782-R800 WeakPolarHBondContact O-CB 3.38Å; Q782-R800 PolarHBondContact O-N 3.02Å; R783-R800 VanDerWaalsContact NH1-NH2 3.12Å; R800-N804 WeakPolarHBondContact CG-OD1 3.42Å; R800-N804 PolarHBondContact NH1-O 3.45Å; R800-F805 CarbonylContact C-O 3.54Å; R800-F805 WeakPolarHBondContact CA-O 3.35Å; R800-F805 WeakPolarHBondContact CB-O 3.34Å; R800-F805 WeakPolarHBondContact CD-O 3.4Å; R800-P806 VanDerWaalsContact CD-CA 3.44Å
801T91.1Very high90.1Very high36 Ų3623.8 Ų23.822%0.22113%0.126CC..  trans-66.3174.4166.667.70000111.1Q782 I803 N804 F805 M807Q782-T801 PolarHBondContact NE2-O 2.92Å; Q782-T801 VanDerWaalsContact NE2-O 3.11Å; T801-I803 PolarHBondContact O-N 2.88Å; T801-I803 WeakPolarHBondContact OG1-CG1 3.47Å; T801-N804 PolarHBondContact O-N 3.45Å; T801-F805 HydrophobicContact CG2-CB 4.23Å; T801-F805 PolarHBondContact N-O 3.36Å; T801-F805 WeakPolarHBondContact OG1-CB 3.47Å; T801-F805 PolarHBondContact OG1-N 3.35Å; T801-F805 VanDerWaalsContact OG1-N 3.08Å; T801-M807 HydrophobicContact CG2-CG 4.12Å
802D89.9Confident90.2Very high66 Ų6622.5 Ų22.535%0.35312%0.12SC..THydrogen-bonded Turntrans-63.5-16.8174.753.9-8.2000114.3P652 Q657 L779P652-D802 HydrophobicContact CB-CB 4.25Å; Q657-D802 WeakPolarHBondContact CG-O 3.42Å; L779-D802 HydrophobicContact CD2-CB 4.21Å
803I87.1Confident90.2Very high16 Ų1622.3 Ų22.38%0.08212%0.119CC..THydrogen-bonded Turntrans-107.219.1170.757.7162.2000113.8T122 D123 P652 T801 F805T122-I803 WeakPolarHBondContact O-CD1 3.34Å; D123-I803 HydrophobicContact CB-CD1 3.65Å; P652-I803 HydrophobicContact CB-CG2 3.44Å; P652-I803 VanDerWaalsContact CB-CG2 3.44Å; P652-I803 HydrophobicContact CG-CG2 4.48Å; T801-I803 PolarHBondContact O-N 2.88Å; T801-I803 WeakPolarHBondContact OG1-CG1 3.47Å; I803-F805 VanDerWaalsContact C-N 3.35Å; I803-F805 HydrophobicContact CD1-CD2 3.27Å; I803-F805 HydrophobicContact CD1-CE2 3.16Å; I803-F805 HydrophobicContact CD1-CG 4.2Å; I803-F805 HydrophobicContact CD1-CZ 4Å; I803-F805 HydrophobicContact CG1-CD2 3.78Å; I803-F805 HydrophobicContact CG1-CE2 4.14Å; I803-F805 HydrophobicContact CG1-CG 4.36Å; I803-F805 PolarHBondContact O-N 2.91Å
804N91.3Very high90.3Very high12 Ų1222.3 Ų22.36%0.06412%0.119CC..  trans71.416175.2-15642000116.1Q660 E664 R800 T801Q660-N804 HydrophobicContact CB-CB 3.7Å; Q660-N804 PolarHBondContact O-ND2 3.49Å; E664-N804 PolarHBondContact OE2-ND2 2.9Å; R800-N804 WeakPolarHBondContact CG-OD1 3.42Å; R800-N804 PolarHBondContact NH1-O 3.45Å; T801-N804 PolarHBondContact O-N 3.45Å
805F84.5Confident90.3Very high50 Ų5022.2 Ų22.222%0.21912%0.12CC..PPolyproline II helixtrans-71.1137.7170.9-72-42.4000111.7R800 T801 I803 M807R800-F805 CarbonylContact C-O 3.54Å; R800-F805 WeakPolarHBondContact CA-O 3.35Å; R800-F805 WeakPolarHBondContact CB-O 3.34Å; R800-F805 WeakPolarHBondContact CD-O 3.4Å; T801-F805 HydrophobicContact CG2-CB 4.23Å; T801-F805 PolarHBondContact N-O 3.36Å; T801-F805 WeakPolarHBondContact OG1-CB 3.47Å; T801-F805 PolarHBondContact OG1-N 3.35Å; T801-F805 VanDerWaalsContact OG1-N 3.08Å; I803-F805 VanDerWaalsContact C-N 3.35Å; I803-F805 HydrophobicContact CD1-CD2 3.27Å; I803-F805 HydrophobicContact CD1-CE2 3.16Å; I803-F805 HydrophobicContact CD1-CG 4.2Å; I803-F805 HydrophobicContact CD1-CZ 4Å; I803-F805 HydrophobicContact CG1-CD2 3.78Å; I803-F805 HydrophobicContact CG1-CE2 4.14Å; I803-F805 HydrophobicContact CG1-CG 4.36Å; I803-F805 PolarHBondContact O-N 2.91Å; F805-M807 PolarHBondContact O-N 3.09Å
806P82.1Confident90.4Very high27 Ų2721.8 Ų21.818%0.17512%0.118CC..EExtended strand (participates in β ladder)trans-48133.5172.9-31.238.8000113.6I63 P153 R800I63-P806 WeakPolarHBondContact CD1-O 3.29Å; P153-P806 HydrophobicContact CB-CB 3.92Å; P153-P806 HydrophobicContact CG-CB 3.84Å; P153-P806 HydrophobicContact CG-CG 4.07Å; R800-P806 VanDerWaalsContact CD-CA 3.44Å
807M82Confident90.5Very high43 Ų4322.6 Ų22.621%0.21212%0.124CC..EExtended strand (participates in β ladder)trans-103.1138.7165-55.9179.885.800109.7L780 L799 T801 F805 P810L780-M807 WeakPolarHBondContact O-CE 3.35Å; L799-M807 HydrophobicContact CB-SD 4.06Å; L799-M807 WeakPolarHBondContact O-CB 3.32Å; L799-M807 PolarHBondContact O-N 3.16Å; T801-M807 HydrophobicContact CG2-CG 4.12Å; F805-M807 PolarHBondContact O-N 3.09Å; M807-P810 HydrophobicContact CB-CB 4.43Å; M807-P810 HydrophobicContact CB-CG 4.08Å; M807-P810 HydrophobicContact CE-CB 4.4Å; M807-P810 HydrophobicContact CE-CG 3.76Å; M807-P810 HydrophobicContact SD-CB 4.25Å; M807-P810 HydrophobicContact SD-CG 4.16Å
808T76.6Confident90.6Very high49 Ų4922.7 Ų22.730%0.30113%0.125SC..EExtended strand (participates in β ladder)trans-70.3-44.4-170.7-43.50000113.9S156S156-T808 WeakPolarHBondContact OG-CA 3.49Å; S156-T808 PolarHBondContact OG-O 3.02Å
809L80.5Confident90.6Very high30 Ų3027.3 Ų27.316%0.15714%0.143CC..EExtended strand (participates in β ladder)trans-115.4-41.3-172.8-60.4175000114.5T166 F167 F710 T811T166-L809 HydrophobicContact CG2-CD1 3.64Å; F167-L809 HydrophobicContact CE1-CD1 4.47Å; F710-L809 HydrophobicContact CB-CB 3.54Å; F710-L809 HydrophobicContact CB-CD1 4.49Å; F710-L809 HydrophobicContact CD1-CD1 4.4Å; F710-L809 HydrophobicContact CD2-CB 4.28Å; F710-L809 HydrophobicContact CG-CB 3.95Å; F710-L809 HydrophobicContact CG-CD1 4.42Å; L809-T811 PolarHBondContact O-N 2.87Å; L809-T811 PolarHBondContact O-OG1 2.86Å
810P89.6Confident90.5Very high17 Ų1730.4 Ų30.411%0.1116%0.162CC..EExtended strand (participates in β ladder)trans-56.3114.2-177.3-25.233.3000112.4Q709 F710 L799 M807Q709-P810 WeakPolarHBondContact O-CA 3.49Å; F710-P810 WeakPolarHBondContact O-CG 3.03Å; L799-P810 HydrophobicContact CB-CB 4.18Å; L799-P810 WeakPolarHBondContact CB-O 3.42Å; L799-P810 HydrophobicContact CD1-CB 3.89Å; L799-P810 HydrophobicContact CG-CB 4.41Å; L799-P810 PolarHBondContact N-O 3.41Å; M807-P810 HydrophobicContact CB-CB 4.43Å; M807-P810 HydrophobicContact CB-CG 4.08Å; M807-P810 HydrophobicContact CE-CB 4.4Å; M807-P810 HydrophobicContact CE-CG 3.76Å; M807-P810 HydrophobicContact SD-CB 4.25Å; M807-P810 HydrophobicContact SD-CG 4.16Å
811T92.6Very high90.4Very high21 Ų2132.4 Ų32.413%0.12917%0.17CC..EExtended strand (participates in β ladder)trans-138.9142.7-174.5-57.30000110G708 Q709 H796 I797 L809G708-T811 CarbonylContact C-O 3.59Å; G708-T811 VanDerWaalsContact CA-O 3.32Å; G708-T811 WeakPolarHBondContact CA-O 3.45Å; Q709-T811 PolarHBondContact N-O 3.27Å; Q709-T811 PolarHBondContact O-N 3.43Å; Q709-T811 PolarHBondContact OE1-O 3.14Å; H796-T811 HydrophobicContact CB-CG2 3.8Å; I797-T811 WeakPolarHBondContact O-CA 3.48Å; L809-T811 PolarHBondContact O-N 2.87Å; L809-T811 PolarHBondContact O-OG1 2.86Å
812L96Very high90.2Very high0 Ų034.3 Ų34.30%018%0.177CC..EExtended strand (participates in β ladder)trans-102.9143.6167.5-66.4175.7000110.3L711 V720 Y750 F770 V772 H796 I797 L799L711-L812 HydrophobicContact CD2-CD2 4.27Å; V720-L812 HydrophobicContact CG1-CD1 3.74Å; V720-L812 HydrophobicContact CG2-CD1 4.45Å; V720-L812 HydrophobicContact CG2-CD2 3.76Å; Y750-L812 HydrophobicContact CE2-CD2 4.49Å; F770-L812 HydrophobicContact CB-CD1 4.13Å; F770-L812 HydrophobicContact CD1-CD1 4.39Å; V772-L812 HydrophobicContact CG2-CD1 3.84Å; V772-L812 HydrophobicContact CG2-CD2 3.81Å; V772-L812 HydrophobicContact CG2-CG 4.02Å; H796-L812 CarbonylContact C-O 3.58Å; H796-L812 WeakPolarHBondContact CA-O 3.49Å; I797-L812 HydrophobicContact CB-CB 4.34Å; I797-L812 PolarHBondContact N-O 3.27Å; I797-L812 PolarHBondContact O-N 3.29Å; L799-L812 HydrophobicContact CD2-CD1 3.96Å; L799-L812 HydrophobicContact CD2-CG 4.07Å
813F96.2Very high89.9Confident0 Ų033.7 Ų33.70%018%0.177CC..EExtended strand (participates in β ladder)trans-109.5118.1169.4-175.6-118.3000109.3R213 I216 I219 L290 I706 S707 Y794 H796R213-F813 VanDerWaalsContact NH2-CD1 3.35Å; I216-F813 HydrophobicContact CD1-CE1 4.25Å; I216-F813 HydrophobicContact CD1-CE2 4.17Å; I216-F813 HydrophobicContact CD1-CZ 4.02Å; I216-F813 HydrophobicContact CG1-CD1 4.21Å; I216-F813 HydrophobicContact CG1-CE1 3.66Å; I216-F813 HydrophobicContact CG1-CE2 4.41Å; I216-F813 HydrophobicContact CG1-CZ 3.77Å; I219-F813 HydrophobicContact CD1-CE1 3.72Å; I219-F813 HydrophobicContact CD1-CZ 4.17Å; L290-F813 HydrophobicContact CD1-CE2 4.25Å; L290-F813 HydrophobicContact CD1-CZ 4.13Å; I706-F813 HydrophobicContact CB-CD1 3.95Å; I706-F813 WeakPolarHBondContact CB-O 3.37Å; I706-F813 HydrophobicContact CD1-CD1 3.95Å; I706-F813 HydrophobicContact CD1-CE1 3.77Å; I706-F813 HydrophobicContact CG2-CD1 4.02Å; I706-F813 HydrophobicContact CG2-CE1 4.43Å; I706-F813 PolarHBondContact N-O 3.09Å; S707-F813 PolarHBondContact N-O 3.33Å; S707-F813 PolarHBondContact O-N 3.47Å; S707-F813 WeakPolarHBondContact OG-CB 3.34Å; Y794-F813 HydrophobicContact CD1-CE1 4.21Å; Y794-F813 AromaticContact CD1-CZ 3.85Å; Y794-F813 HydrophobicContact CD1-CZ 3.85Å; Y794-F813 HydrophobicContact CG-CZ 4.13Å; H796-F813 AromaticContact CD2-CD2 3.78Å; H796-F813 AromaticContact CE1-CD2 3.52Å; H796-F813 AromaticContact CE1-CE2 3.71Å; H796-F813 AromaticContact CG-CD2 4Å; H796-F813 AromaticContact ND1-CD2 3.84Å; H796-F813 AromaticContact NE2-CD2 3.46Å; H796-F813 WeakPolarHBondContact NE2-CD2 3.17Å
814C97.3Very high89.7Confident0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans-128.1152.1-173.5-63.50000111R704 Y794 R795 I797 I816R704-C814 CarbonylContact O-C 3.2Å; R704-C814 VanDerWaalsContact O-CA 3.24Å; R704-C814 WeakPolarHBondContact O-CA 3.41Å; Y794-C814 WeakPolarHBondContact CA-O 3.48Å; R795-C814 PolarHBondContact N-O 3.01Å; R795-C814 PolarHBondContact O-N 2.88Å; I797-C814 HydrophobicContact CD1-CB 4.09Å; C814-I816 HydrophobicContact CB-CG1 4.44Å
815H97.5Very high89.3Confident42 Ų4242.9 Ų42.919%0.19424%0.239CC..EExtended strand (participates in β ladder)trans-106.4118.1164.2178.6-112.8000109.2R704 I706 G793 Y794 V817R704-H815 HydrophobicContact CB-CB 4.23Å; R704-H815 PolarHBondContact N-O 2.98Å; R704-H815 PolarHBondContact O-N 2.78Å; I706-H815 HydrophobicContact CD1-CB 3.99Å; G793-H815 WeakPolarHBondContact O-CA 3.41Å; Y794-H815 HydrophobicContact CD1-CB 3.8Å; Y794-H815 AromaticContact CD1-CD2 3.78Å; Y794-H815 HydrophobicContact CE1-CB 3.72Å; Y794-H815 AromaticContact CE1-CD2 3.6Å; Y794-H815 AromaticContact CE1-CG 3.81Å; Y794-H815 AromaticContact CE2-CD2 3.88Å; Y794-H815 AromaticContact CG-CD2 3.99Å; Y794-H815 AromaticContact CZ-CD2 3.67Å; H815-V817 WeakPolarHBondContact CE1-CG2 3.44Å
816I97.7Very high89.4Confident1 Ų144 Ų441%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-107.8129.3-175.5-56.5177000108.2S702 L790 P792 G793 R795 I797 C814 L818S702-I816 CarbonylContact O-C 3.6Å; S702-I816 WeakPolarHBondContact O-CA 3.1Å; L790-I816 HydrophobicContact CD1-CD1 4.15Å; L790-I816 HydrophobicContact CD2-CD1 4.46Å; L790-I816 HydrophobicContact CD2-CG2 3.95Å; L790-I816 HydrophobicContact CG-CD1 4.45Å; L790-I816 HydrophobicContact CG-CG2 4.44Å; P792-I816 CarbonylContact C-O 3.53Å; P792-I816 VanDerWaalsContact CA-O 3.28Å; P792-I816 WeakPolarHBondContact CA-O 3.48Å; P792-I816 VanDerWaalsContact CB-O 3.27Å; P792-I816 WeakPolarHBondContact CB-O 3.1Å; G793-I816 PolarHBondContact N-O 3.16Å; G793-I816 PolarHBondContact O-N 2.94Å; R795-I816 HydrophobicContact CB-CD1 4.31Å; R795-I816 HydrophobicContact CG-CD1 4.18Å; I797-I816 HydrophobicContact CD1-CD1 4.41Å; C814-I816 HydrophobicContact CB-CG1 4.44Å; I816-L818 HydrophobicContact CG2-CD1 4.32Å; I816-L818 HydrophobicContact CG2-CD2 4.37Å; I816-L818 HydrophobicContact CG2-CG 4.04Å
817V97Very high89.4Confident35 Ų3544.2 Ų44.221%0.21225%0.254CS..EExtended strand (participates in β ladder)trans-118.4123.1174.3177.60000108.3Y700 C701 S702 H815 K819Y700-V817 HydrophobicContact CE1-CG1 4.33Å; C701-V817 CarbonylContact C-O 3.57Å; C701-V817 WeakPolarHBondContact CA-O 3.32Å; S702-V817 PolarHBondContact N-O 2.99Å; S702-V817 PolarHBondContact O-N 3.37Å; H815-V817 WeakPolarHBondContact CE1-CG2 3.44Å; V817-K819 HydrophobicContact CG1-CD 4.3Å; V817-K819 HydrophobicContact CG1-CG 4.17Å
818L95.9Very high89.4Confident3 Ų348.3 Ų48.32%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-120.8129.8177.5-62.8171000108.8P247 Y700 C701 L787 L790 P792 I816P247-L818 WeakPolarHBondContact CD-O 3.38Å; P247-L818 WeakPolarHBondContact CG-O 3.36Å; Y700-L818 WeakPolarHBondContact O-CA 3.24Å; C701-L818 HydrophobicContact CB-CD2 3.82Å; L787-L818 HydrophobicContact CD1-CD2 3.94Å; L790-L818 HydrophobicContact CB-CD1 4.01Å; L790-L818 HydrophobicContact CD2-CD1 4.05Å; L790-L818 HydrophobicContact CD2-CD2 4.3Å; L790-L818 HydrophobicContact CG-CD1 4.03Å; L790-L818 WeakPolarHBondContact O-CD1 3.44Å; P792-L818 HydrophobicContact CB-CB 4.24Å; P792-L818 HydrophobicContact CB-CD1 4.37Å; P792-L818 HydrophobicContact CB-CG 4.27Å; I816-L818 HydrophobicContact CG2-CD1 4.32Å; I816-L818 HydrophobicContact CG2-CD2 4.37Å; I816-L818 HydrophobicContact CG2-CG 4.04Å
819K92.2Very high90Very high117 Ų11750 Ų5051%0.50928%0.283SS..EExtended strand (participates in β ladder)trans-143.4164.2178-60.6-178.9-179.5-178.10109.8A699 Y700 V817A699-K819 WeakPolarHBondContact CA-O 3.4Å; Y700-K819 HydrophobicContact CD1-CB 4.32Å; Y700-K819 PolarHBondContact N-O 3.4Å; Y700-K819 PolarHBondContact O-N 2.83Å; V817-K819 HydrophobicContact CG1-CD 4.3Å; V817-K819 HydrophobicContact CG1-CG 4.17Å
820T91.4Very high90.2Very high66 Ų6650.9 Ų50.941%0.40529%0.29SS..EExtended strand (participates in β ladder)trans-70.1134.2164.8-58.80000109.1V697 I822V697-T820 HydrophobicContact CG1-CG2 3.46Å; V697-T820 VanDerWaalsContact CG1-CG2 3.46Å; T820-I822 PolarHBondContact O-N 3.08Å
821Y90.1Very high89.9Confident50 Ų5057 Ų5720%0.19632%0.317CS..  trans-70.7126.5173.2169.5-103.6000109.5A698 R758 K759 P823A698-Y821 HydrophobicContact CB-CD1 4.01Å; A698-Y821 HydrophobicContact CB-CG 4.35Å; A698-Y821 PolarHBondContact O-N 2.96Å; R758-Y821 VanDerWaalsContact O-CD2 3.31Å; R758-Y821 WeakPolarHBondContact O-CD2 3.43Å; K759-Y821 HydrophobicContact CB-CD2 4.05Å; K759-Y821 HydrophobicContact CB-CE2 3.9Å; K759-Y821 HydrophobicContact CD-CE1 4.17Å; K759-Y821 HydrophobicContact CG-CD1 4.15Å; K759-Y821 HydrophobicContact CG-CD2 4.2Å; K759-Y821 HydrophobicContact CG-CE1 3.98Å; K759-Y821 HydrophobicContact CG-CE2 4.06Å; K759-Y821 HydrophobicContact CG-CG 4.24Å; Y821-P823 HydrophobicContact CD1-CG 4.49Å; Y821-P823 HydrophobicContact CE1-CB 4.41Å; Y821-P823 HydrophobicContact CE1-CG 3.91Å
822I86.5Confident89.7Confident75 Ų7556.8 Ų56.839%0.38532%0.317SS..  trans-113.5119.8175.2-58.1169.8000107.2T820 L826 V830T820-I822 PolarHBondContact O-N 3.08Å; I822-L826 HydrophobicContact CG2-CB 4.48Å; I822-V830 HydrophobicContact CD1-CB 4.17Å; I822-V830 HydrophobicContact CD1-CG1 3.74Å; I822-V830 HydrophobicContact CD1-CG2 4.42Å; I822-V830 HydrophobicContact CG1-CG1 4.35Å; I822-V830 HydrophobicContact CG1-CG2 4.38Å; I822-V830 HydrophobicContact CG2-CB 4.49Å; I822-V830 HydrophobicContact CG2-CG2 3.92Å
823P84.3Confident89.4Confident53 Ų5363.1 Ų63.134%0.34435%0.351SS..  trans-57.6147174.5-2332.7000112Y821 G825 L826Y821-P823 HydrophobicContact CD1-CG 4.49Å; Y821-P823 HydrophobicContact CE1-CB 4.41Å; Y821-P823 HydrophobicContact CE1-CG 3.91Å; P823-G825 PolarHBondContact O-N 2.77Å; P823-L826 HydrophobicContact CB-CD1 4.08Å; P823-L826 HydrophobicContact CG-CD1 4.12Å; P823-L826 PolarHBondContact O-N 3.21Å
824E83.1Confident88.9Confident148 Ų14867.6 Ų67.669%0.69238%0.382SS*.THydrogen-bonded Turntrans-57.9138.9175.8-70.2-176.3176.800111R758 L826R758-E824 IonicContact CZ-OE1 3.93Å; R758-E824 VanDerWaalsContact CZ-OE1 3.24Å; R758-E824 IonicContact NH1-OE1 3.51Å; R758-E824 PolarHBondContact NH1-OE1 2.69Å; R758-E824 IonicContact NH2-OE1 3.38Å; R758-E824 PolarHBondContact NH2-OE1 3.04Å; E824-L826 VanDerWaalsContact C-N 3.32Å; E824-L826 PolarHBondContact O-N 3.36Å
825G83Confident88.4Confident74 Ų7471.5 Ų71.576%0.76340%0.403SS*.THydrogen-bonded Turntrans85.4-10.1-178.300000115.6P823P823-G825 PolarHBondContact O-N 2.77Å
826L84.8Confident88.1Confident73 Ų7372.8 Ų72.838%0.38242%0.415SS..  trans-103.74.1177.6-60.1-179.8000113.9I822 P823 E824 D828 I829 V830I822-L826 HydrophobicContact CG2-CB 4.48Å; P823-L826 HydrophobicContact CB-CD1 4.08Å; P823-L826 HydrophobicContact CG-CD1 4.12Å; P823-L826 PolarHBondContact O-N 3.21Å; E824-L826 VanDerWaalsContact C-N 3.32Å; E824-L826 PolarHBondContact O-N 3.36Å; L826-D828 PolarHBondContact O-N 2.75Å; L826-I829 HydrophobicContact CD2-CD1 3.92Å; L826-I829 PolarHBondContact O-N 3.45Å; L826-V830 WeakPolarHBondContact O-CG2 3.19Å; L826-V830 PolarHBondContact O-N 2.99Å; L826-V830 VanDerWaalsContact O-N 3.15Å
827G83.2Confident87.7Confident32 Ų3281 Ų8133%0.3345%0.451SS..Hα-helixtrans-54.1-50.3-178.900000113I829 V830 E831G827-I829 VanDerWaalsContact C-N 3.27Å; G827-I829 PolarHBondContact O-N 2.96Å; G827-V830 PolarHBondContact O-N 2.77Å; G827-V830 VanDerWaalsContact O-N 3.1Å; G827-E831 PolarHBondContact O-N 3.09Å
828D82.8Confident87.2Confident129 Ų12982.4 Ų82.469%0.6946%0.462SS*.Hα-helixtrans-60.7-37.2-177.5-58-12.1000112.3L826 A832L826-D828 PolarHBondContact O-N 2.75Å; D828-A832 WeakPolarHBondContact O-CB 3.35Å; D828-A832 PolarHBondContact O-N 2.72Å
829I88.7Confident86.7Confident83 Ų8387.1 Ų87.143%0.42648%0.48SS..Hα-helixtrans-67.8-43.7177.8-61.1177.9000110L826 G827 A832 L833L826-I829 HydrophobicContact CD2-CD1 3.92Å; L826-I829 PolarHBondContact O-N 3.45Å; G827-I829 VanDerWaalsContact C-N 3.27Å; G827-I829 PolarHBondContact O-N 2.96Å; I829-A832 PolarHBondContact O-N 3.07Å; I829-L833 HydrophobicContact CG2-CD1 4.07Å; I829-L833 HydrophobicContact CG2-CG 4.48Å; I829-L833 WeakPolarHBondContact O-CB 3.44Å; I829-L833 VanDerWaalsContact O-CG 3.29Å; I829-L833 WeakPolarHBondContact O-CG 3.42Å; I829-L833 PolarHBondContact O-N 2.83Å
830V84.3Confident86.5Confident50 Ų5086.7 Ų86.730%0.30348%0.483SS..Hα-helixtrans-66.6-39.4179.3176.40000111.2I822 L826 G827 L833 S834I822-V830 HydrophobicContact CD1-CB 4.17Å; I822-V830 HydrophobicContact CD1-CG1 3.74Å; I822-V830 HydrophobicContact CD1-CG2 4.42Å; I822-V830 HydrophobicContact CG1-CG1 4.35Å; I822-V830 HydrophobicContact CG1-CG2 4.38Å; I822-V830 HydrophobicContact CG2-CB 4.49Å; I822-V830 HydrophobicContact CG2-CG2 3.92Å; L826-V830 WeakPolarHBondContact O-CG2 3.19Å; L826-V830 PolarHBondContact O-N 2.99Å; L826-V830 VanDerWaalsContact O-N 3.15Å; G827-V830 PolarHBondContact O-N 2.77Å; G827-V830 VanDerWaalsContact O-N 3.1Å; V830-L833 PolarHBondContact O-N 3.19Å; V830-S834 WeakPolarHBondContact O-CB 3.31Å; V830-S834 PolarHBondContact O-N 3.07Å; V830-S834 PolarHBondContact O-OG 2.94Å
831E83.2Confident86.4Confident144 Ų14485.7 Ų85.767%0.67348%0.482SS*.Hα-helixtrans-63.9-43.9175.6-168.7168.9-171.500111.1G827 L833 S834 D835G827-E831 PolarHBondContact O-N 3.09Å; E831-L833 VanDerWaalsContact C-N 3.31Å; E831-L833 PolarHBondContact O-N 3.06Å; E831-S834 PolarHBondContact O-N 3.4Å; E831-S834 VanDerWaalsContact O-N 3.17Å; E831-D835 PolarHBondContact O-N 2.85Å; E831-D835 VanDerWaalsContact O-N 3.11Å
832A87.7Confident86.2Confident17 Ų1788.7 Ų88.714%0.1450%0.499CS..Hα-helixtrans-61.6-36.617400000113D828 I829 D835 P836 Y839D828-A832 WeakPolarHBondContact O-CB 3.35Å; D828-A832 PolarHBondContact O-N 2.72Å; I829-A832 PolarHBondContact O-N 3.07Å; A832-D835 CarbonylContact O-C 3.43Å; A832-P836 WeakPolarHBondContact O-CA 3.49Å; A832-P836 VanDerWaalsContact O-N 3.15Å; A832-Y839 HydrophobicContact CB-CD1 3.94Å; A832-Y839 HydrophobicContact CB-CD2 3.67Å; A832-Y839 HydrophobicContact CB-CE1 4.26Å; A832-Y839 HydrophobicContact CB-CE2 4.03Å; A832-Y839 HydrophobicContact CB-CG 3.63Å
833L90.4Very high86.2Confident133 Ų13388.6 Ų88.670%0.69650%0.499SS*.Hα-helixtrans-73.9-29.1175.7-71.7172.5000113I829 V830 E831I829-L833 HydrophobicContact CG2-CD1 4.07Å; I829-L833 HydrophobicContact CG2-CG 4.48Å; I829-L833 WeakPolarHBondContact O-CB 3.44Å; I829-L833 VanDerWaalsContact O-CG 3.29Å; I829-L833 WeakPolarHBondContact O-CG 3.42Å; I829-L833 PolarHBondContact O-N 2.83Å; V830-L833 PolarHBondContact O-N 3.19Å; E831-L833 VanDerWaalsContact C-N 3.31Å; E831-L833 PolarHBondContact O-N 3.06Å
834S85.3Confident86.4Confident95 Ų9590.8 Ų90.866%0.66450%0.504SS*.Hα-helixtrans-75.3-36.8-179.6-57.90000112V830 E831V830-S834 WeakPolarHBondContact O-CB 3.31Å; V830-S834 PolarHBondContact O-N 3.07Å; V830-S834 PolarHBondContact O-OG 2.94Å; E831-S834 PolarHBondContact O-N 3.4Å; E831-S834 VanDerWaalsContact O-N 3.17Å
835D87.6Confident86.5Confident81 Ų8188.2 Ų88.243%0.43350%0.495SS..  trans-135.979.1171.6-171-5.5000111.8E831 A832 K837 S838 Y839E831-D835 PolarHBondContact O-N 2.85Å; E831-D835 VanDerWaalsContact O-N 3.11Å; A832-D835 CarbonylContact O-C 3.43Å; D835-K837 PolarHBondContact O-N 3.39Å; D835-K837 PolarHBondContact OD1-N 3.19Å; D835-S838 PolarHBondContact O-N 3.25Å; D835-S838 PolarHBondContact OD1-N 3.13Å; D835-S838 VanDerWaalsContact OD1-N 3.07Å; D835-S838 WeakPolarHBondContact OD2-CB 3.19Å; D835-Y839 PolarHBondContact O-N 3.24Å; D835-Y839 VanDerWaalsContact O-N 3.15Å
836P90.2Very high86.5Confident69 Ų6992.5 Ų92.545%0.44849%0.488SS..Hα-helixtrans-66-25-177.125-33.7000112.5A832 L840A832-P836 WeakPolarHBondContact O-CA 3.49Å; A832-P836 VanDerWaalsContact O-N 3.15Å; P836-L840 WeakPolarHBondContact O-CB 3.49Å; P836-L840 WeakPolarHBondContact O-CG 3.42Å; P836-L840 PolarHBondContact O-N 3.08Å
837K89Confident86.5Confident174 Ų17492 Ų9276%0.75748%0.484SS*.Hα-helixtrans-70.7-46.6178.7-71.5-178.1-180175.70110.8D835 Y839 L840 A841D835-K837 PolarHBondContact O-N 3.39Å; D835-K837 PolarHBondContact OD1-N 3.19Å; K837-Y839 VanDerWaalsContact C-N 3.34Å; K837-L840 PolarHBondContact O-N 2.88Å; K837-A841 VanDerWaalsContact O-CB 3.27Å; K837-A841 WeakPolarHBondContact O-CB 3.44Å; K837-A841 PolarHBondContact O-N 3.45Å
838S86.5Confident86.5Confident65 Ų6595.1 Ų95.146%0.45549%0.489SS..Hα-helixtrans-62.3-43.1176.5-177.30000111.3D835 A841 M842D835-S838 PolarHBondContact O-N 3.25Å; D835-S838 PolarHBondContact OD1-N 3.13Å; D835-S838 VanDerWaalsContact OD1-N 3.07Å; D835-S838 WeakPolarHBondContact OD2-CB 3.19Å; S838-A841 PolarHBondContact O-N 3.33Å; S838-M842 WeakPolarHBondContact O-CB 3.49Å; S838-M842 PolarHBondContact O-N 3.35Å
839Y85.6Confident86.6Confident101 Ų10195.3 Ų95.340%0.39649%0.485SS..Hα-helixtrans-61.1-48.4176.9-177.7-101.8000112.8A832 D835 K837 A841 M842 L843A832-Y839 HydrophobicContact CB-CD1 3.94Å; A832-Y839 HydrophobicContact CB-CD2 3.67Å; A832-Y839 HydrophobicContact CB-CE1 4.26Å; A832-Y839 HydrophobicContact CB-CE2 4.03Å; A832-Y839 HydrophobicContact CB-CG 3.63Å; D835-Y839 PolarHBondContact O-N 3.24Å; D835-Y839 VanDerWaalsContact O-N 3.15Å; K837-Y839 VanDerWaalsContact C-N 3.34Å; Y839-A841 PolarHBondContact O-N 2.88Å; Y839-M842 HydrophobicContact CD2-CE 4.27Å; Y839-M842 WeakPolarHBondContact O-CB 3.32Å; Y839-M842 PolarHBondContact O-N 2.79Å; Y839-L843 HydrophobicContact CD1-CD1 3.94Å; Y839-L843 HydrophobicContact CE1-CD1 3.38Å; Y839-L843 HydrophobicContact CE1-CG 4.17Å; Y839-L843 PolarHBondContact O-N 3.46Å
840L89.1Confident86.2Confident109 Ų10994.6 Ų94.657%0.57148%0.481SS*.Hα-helixtrans-64-39.7177-71.6171.8000112.1P836 K837 M842 L843 E844P836-L840 WeakPolarHBondContact O-CB 3.49Å; P836-L840 WeakPolarHBondContact O-CG 3.42Å; P836-L840 PolarHBondContact O-N 3.08Å; K837-L840 PolarHBondContact O-N 2.88Å; L840-M842 VanDerWaalsContact C-N 3.31Å; L840-M842 PolarHBondContact O-N 3.46Å; L840-L843 PolarHBondContact O-N 2.97Å; L840-E844 WeakPolarHBondContact O-CB 3.18Å; L840-E844 PolarHBondContact O-N 2.78Å
841A88.8Confident86Confident45 Ų4598 Ų9837%0.37249%0.493SS..Hα-helixtrans-64.4-36.4176.300000112.2K837 S838 Y839 N845K837-A841 VanDerWaalsContact O-CB 3.27Å; K837-A841 WeakPolarHBondContact O-CB 3.44Å; K837-A841 PolarHBondContact O-N 3.45Å; S838-A841 PolarHBondContact O-N 3.33Å; Y839-A841 PolarHBondContact O-N 2.88Å; A841-N845 WeakPolarHBondContact O-CB 3.31Å; A841-N845 PolarHBondContact O-N 2.83Å
842M86.4Confident86Confident112 Ų11299.6 Ų99.655%0.55250%0.501SS*.Hα-helixtrans-64-45.4173.5-168.3-154.2-38.800111.4S838 Y839 L840 N845 R846S838-M842 WeakPolarHBondContact O-CB 3.49Å; S838-M842 PolarHBondContact O-N 3.35Å; Y839-M842 HydrophobicContact CD2-CE 4.27Å; Y839-M842 WeakPolarHBondContact O-CB 3.32Å; Y839-M842 PolarHBondContact O-N 2.79Å; L840-M842 VanDerWaalsContact C-N 3.31Å; L840-M842 PolarHBondContact O-N 3.46Å; M842-N845 PolarHBondContact O-N 3.33Å; M842-R846 WeakPolarHBondContact O-CB 3.49Å; M842-R846 PolarHBondContact O-N 3.17Å
843L85.2Confident85.5Confident74 Ų74105.7 Ų105.739%0.38753%0.528SS..Hα-helixtrans-62-44.9176.2-74.3177.3000111.8Y839 L840 R846 E847Y839-L843 HydrophobicContact CD1-CD1 3.94Å; Y839-L843 HydrophobicContact CE1-CD1 3.38Å; Y839-L843 HydrophobicContact CE1-CG 4.17Å; Y839-L843 PolarHBondContact O-N 3.46Å; L840-L843 PolarHBondContact O-N 2.97Å; L843-R846 WeakPolarHBondContact O-CB 3.49Å; L843-R846 PolarHBondContact O-N 2.72Å; L843-E847 WeakPolarHBondContact O-CB 3.39Å; L843-E847 PolarHBondContact O-N 3.33Å
844E88.6Confident84.9Confident99 Ų99101.8 Ų101.846%0.46352%0.52SS..Hα-helixtrans-64.1-41.7178-166.1-169.9161.300111.5L840 R846 E847 K848L840-E844 WeakPolarHBondContact O-CB 3.18Å; L840-E844 PolarHBondContact O-N 2.78Å; E844-R846 VanDerWaalsContact C-N 3.32Å; E844-R846 PolarHBondContact O-N 3.07Å; E844-E847 PolarHBondContact O-N 3.02Å; E844-K848 WeakPolarHBondContact O-CG 3.46Å; E844-K848 PolarHBondContact O-N 3.29Å; E844-K848 VanDerWaalsContact OE1-CE 3.27Å; E844-K848 WeakPolarHBondContact OE1-CE 3.49Å; E844-K848 IonicContact OE1-NZ 2.68Å; E844-K848 PolarHBondContact OE1-NZ 3.21Å
845N86.4Confident84.3Confident93 Ų93101 Ų10150%0.49751%0.507SS..Hα-helixtrans-64-38.3174.2-84.7-20.7000112.1A841 M842 K848 Q849A841-N845 WeakPolarHBondContact O-CB 3.31Å; A841-N845 PolarHBondContact O-N 2.83Å; M842-N845 PolarHBondContact O-N 3.33Å; N845-K848 PolarHBondContact O-N 2.83Å; N845-Q849 WeakPolarHBondContact O-CB 3.42Å; N845-Q849 VanDerWaalsContact O-CG 3.3Å; N845-Q849 WeakPolarHBondContact O-CG 2.94Å; N845-Q849 PolarHBondContact O-N 3.07Å
846R83.7Confident83.6Confident164 Ų164104.5 Ų104.562%0.61952%0.515SS*.Hα-helixtrans-65.9-41.7176.2-168.5176.4-179.2164.5-1111.2M842 L843 E844 Q849 M850M842-R846 WeakPolarHBondContact O-CB 3.49Å; M842-R846 PolarHBondContact O-N 3.17Å; L843-R846 WeakPolarHBondContact O-CB 3.49Å; L843-R846 PolarHBondContact O-N 2.72Å; E844-R846 VanDerWaalsContact C-N 3.32Å; E844-R846 PolarHBondContact O-N 3.07Å; R846-Q849 PolarHBondContact O-N 3.26Å; R846-M850 HydrophobicContact CG-CE 4.4Å; R846-M850 WeakPolarHBondContact O-CG 3.35Å; R846-M850 PolarHBondContact O-N 3.24Å
847E83.5Confident82.6Confident64 Ų64108.4 Ų108.430%0.29953%0.525SS..Hα-helixtrans-60.8-48.4174-172.4167.9-164.300111.3L843 E844 Q849 M850 E851 K857L843-E847 WeakPolarHBondContact O-CB 3.39Å; L843-E847 PolarHBondContact O-N 3.33Å; E844-E847 PolarHBondContact O-N 3.02Å; E847-Q849 VanDerWaalsContact C-N 3.3Å; E847-Q849 PolarHBondContact O-N 3.33Å; E847-M850 PolarHBondContact O-N 2.99Å; E847-M850 VanDerWaalsContact O-N 3.13Å; E847-E851 PolarHBondContact O-N 3.09Å; E847-K857 WeakPolarHBondContact OE1-CE 3.47Å; E847-K857 IonicContact OE1-NZ 2.63Å; E847-K857 PolarHBondContact OE1-NZ 3.46Å; E847-K857 IonicContact OE2-NZ 3.75Å
848K84.7Confident81.9Confident97 Ų97107.5 Ų107.542%0.42252%0.523SS..Hα-helixtrans-59.4-38.2175.4-73.8173.3-175.1164.20113.1E844 N845 H852E844-K848 WeakPolarHBondContact O-CG 3.46Å; E844-K848 PolarHBondContact O-N 3.29Å; E844-K848 VanDerWaalsContact OE1-CE 3.27Å; E844-K848 WeakPolarHBondContact OE1-CE 3.49Å; E844-K848 IonicContact OE1-NZ 2.68Å; E844-K848 PolarHBondContact OE1-NZ 3.21Å; N845-K848 PolarHBondContact O-N 2.83Å; K848-H852 WeakPolarHBondContact O-CB 3.14Å; K848-H852 PolarHBondContact O-N 2.95Å
849Q83.7Confident81.2Confident133 Ų133109.6 Ų109.662%0.62153%0.529SS*.Hα-helixtrans-68.4-39.4176-76.4177.6900112.1N845 R846 E847 H852 M853N845-Q849 WeakPolarHBondContact O-CB 3.42Å; N845-Q849 VanDerWaalsContact O-CG 3.3Å; N845-Q849 WeakPolarHBondContact O-CG 2.94Å; N845-Q849 PolarHBondContact O-N 3.07Å; R846-Q849 PolarHBondContact O-N 3.26Å; E847-Q849 VanDerWaalsContact C-N 3.3Å; E847-Q849 PolarHBondContact O-N 3.33Å; Q849-H852 PolarHBondContact O-N 3.01Å; Q849-M853 PolarHBondContact O-N 3.41Å; Q849-M853 VanDerWaalsContact O-N 3.1Å
850M79.6Confident80.6Confident68 Ų68109.1 Ų109.134%0.33553%0.533SS..Hα-helixtrans-63.9-43.7174.8-72.3-172.9-65.100111.4R846 E847 H852 M853 G854 I855R846-M850 HydrophobicContact CG-CE 4.4Å; R846-M850 WeakPolarHBondContact O-CG 3.35Å; R846-M850 PolarHBondContact O-N 3.24Å; E847-M850 PolarHBondContact O-N 2.99Å; E847-M850 VanDerWaalsContact O-N 3.13Å; M850-H852 VanDerWaalsContact C-N 3.33Å; M850-H852 PolarHBondContact O-N 3.01Å; M850-M853 PolarHBondContact O-N 3.38Å; M850-M853 VanDerWaalsContact O-N 3.14Å; M850-G854 PolarHBondContact O-N 3.16Å; M850-I855 CarbonylContact C-O 3.59Å; M850-I855 PolarHBondContact O-N 3.03Å; M850-I855 VanDerWaalsContact O-N 3.09Å
851E80.7Confident79.7Confident120 Ų120110.9 Ų110.956%0.56154%0.542SS*.Hα-helixtrans-60.4-41173.6-72.5-176.616500112E847 M853 G854E847-E851 PolarHBondContact O-N 3.09Å; E851-M853 PolarHBondContact O-N 2.79Å; E851-G854 PolarHBondContact O-N 3.15Å
852H83.2Confident78.2Confident179 Ų179118.2 Ų118.283%0.82957%0.569SS**Hα-helixtrans-64.4-27.9176.6-11775.8000113.5K848 Q849 M850K848-H852 WeakPolarHBondContact O-CB 3.14Å; K848-H852 PolarHBondContact O-N 2.95Å; Q849-H852 PolarHBondContact O-N 3.01Å; M850-H852 VanDerWaalsContact C-N 3.33Å; M850-H852 PolarHBondContact O-N 3.01Å
853M76.8Confident76.6Confident144 Ų144118.8 Ų118.871%0.70958%0.579SS**THydrogen-bonded Turntrans-83.62.2172.8-69-161.3-6600113.2Q849 M850 E851Q849-M853 PolarHBondContact O-N 3.41Å; Q849-M853 VanDerWaalsContact O-N 3.1Å; M850-M853 PolarHBondContact O-N 3.38Å; M850-M853 VanDerWaalsContact O-N 3.14Å; E851-M853 PolarHBondContact O-N 2.79Å
854G77.8Confident74.7Confident52 Ų52120.6 Ų120.654%0.53660%0.595SS.*THydrogen-bonded Turntrans82.213.4177.400000114.7M850 E851M850-G854 PolarHBondContact O-N 3.16Å; E851-G854 PolarHBondContact O-N 3.15Å
855I73.5Confident72.5Confident77 Ų77123.1 Ų123.140%0.39561%0.612SS.*  trans-93.1106176-55.9171000107.4M850 I860M850-I855 CarbonylContact C-O 3.59Å; M850-I855 PolarHBondContact O-N 3.03Å; M850-I855 VanDerWaalsContact O-N 3.09Å; I855-I860 HydrophobicContact CG2-CD1 4Å; I855-I860 HydrophobicContact CG2-CG1 3.93Å
856R71.7Confident70.2Confident156 Ų156129.7 Ų129.759%0.58963%0.63SS**  trans-89.2151176.9-58.6-177.1178.9-169.50.1109.6E858 D859R856-E858 HydrophobicContact CB-CG 4.46Å; R856-E858 PolarHBondContact O-N 3.18Å; R856-D859 WeakPolarHBondContact CB-OD2 3.32Å; R856-D859 PolarHBondContact N-OD2 3.38Å; R856-D859 WeakPolarHBondContact O-CB 3.39Å; R856-D859 PolarHBondContact O-N 3.37Å
857K69.9Low67.9Low150 Ų150130 Ų13065%0.65264%0.638SS**G310 helixtrans-52.7-29.4175.4-100.6177.2169.9163.90113.2E847 D859E847-K857 WeakPolarHBondContact OE1-CE 3.47Å; E847-K857 IonicContact OE1-NZ 2.63Å; E847-K857 PolarHBondContact OE1-NZ 3.46Å; E847-K857 IonicContact OE2-NZ 3.75Å; K857-D859 VanDerWaalsContact C-N 3.28Å; K857-D859 PolarHBondContact O-N 3.05Å
858E74.9Confident65.7Low156 Ų156134 Ų13473%0.72966%0.661SS**G310 helixtrans-65.6-28.1177.2-46.5164.9-12100113.1R856R856-E858 HydrophobicContact CB-CG 4.46Å; R856-E858 PolarHBondContact O-N 3.18Å
859D71.7Confident63.1Low109 Ų109135.2 Ų135.258%0.58368%0.68SS**G310 helixtrans-91.6-0.1-174.2-56-44.7000112.6R856 K857R856-D859 WeakPolarHBondContact CB-OD2 3.32Å; R856-D859 PolarHBondContact N-OD2 3.38Å; R856-D859 WeakPolarHBondContact O-CB 3.39Å; R856-D859 PolarHBondContact O-N 3.37Å; K857-D859 VanDerWaalsContact C-N 3.28Å; K857-D859 PolarHBondContact O-N 3.05Å
860I71.9Confident60.7Low91 Ų91133.4 Ų133.447%0.46769%0.687SS.*  trans-102.3106.8-176.2-55.1174.6000108.9I855I855-I860 HydrophobicContact CG2-CD1 4Å; I855-I860 HydrophobicContact CG2-CG1 3.93Å
861D70.1Confident58.2Low145 Ų145140 Ų14078%0.77571%0.714SS**  trans-63.7141.1172.1-73.6-37.8000111.2V863D861-V863 PolarHBondContact O-N 3.44Å
862E58.9Low55.9Low199 Ų199140 Ų14093%0.9372%0.723SS**  trans-64.7105.3173.8-78.1-171.5167.400110.5
863V51.5Low53.3Low124 Ų124137 Ų13775%0.75272%0.721SS**  trans-86.6124172.1-167.90000108.3D861 D865D861-V863 PolarHBondContact O-N 3.44Å; V863-D865 PolarHBondContact O-N 3.02Å
864P45.9Very low51.1Low113 Ų113135 Ų13573%0.73472%0.721SS**  trans-64.8113179.124-32000110R866P864-R866 PolarHBondContact O-N 3.41Å
865D42.9Very low49Very low152 Ų152138.3 Ų138.381%0.81373%0.734SS**  trans-70.5100.2-175.7-143.3-2.5000110.1V863 Q867V863-D865 PolarHBondContact O-N 3.02Å; D865-Q867 VanDerWaalsContact C-N 3.26Å; D865-Q867 PolarHBondContact O-N 3.06Å
866R36.5Very low47Very low231 Ų231142.3 Ų142.387%0.87276%0.756SS**  trans-81.274.7173-81.8-172.4173.3-177.9-0.1109P864P864-R866 PolarHBondContact O-N 3.41Å
867Q36.8Very low45Very low170 Ų170139.3 Ų139.379%0.79476%0.759SS**SBendtrans157.4101.2150.7-90.3157.88.600109D865D865-Q867 VanDerWaalsContact C-N 3.26Å; D865-Q867 PolarHBondContact O-N 3.06Å
868L36.2Very low43.2Very low148 Ų148139 Ų13978%0.77576%0.764SS**  trans154.667.7150.2-82.3158000109
869C31.2Very low41.2Very low123 Ų123140.9 Ų140.983%0.83177%0.77SS**  trans-146.381.5160.6-115.20000108.7K871C869-K871 PolarHBondContact O-N 3.38Å
870A32.8Very low39.3Very low94 Ų94141.7 Ų141.778%0.77778%0.779SS**  trans-63.5112.9151.200000106V872A870-V872 VanDerWaalsContact C-N 3.32Å; A870-V872 PolarHBondContact O-N 3.08Å
871K27.4Very low37.1Very low206 Ų206145 Ų14590%0.89680%0.797SS**  trans-57.694.6174.8-75.5177.6174.9177.50109.3C869C869-K871 PolarHBondContact O-N 3.38Å
872V31.7Very low35.2Very low122 Ų122145.4 Ų145.474%0.73980%0.799SS**  trans-91.996.4157.4-179.30000105.8A870 S874A870-V872 VanDerWaalsContact C-N 3.32Å; A870-V872 PolarHBondContact O-N 3.08Å; V872-S874 PolarHBondContact O-N 3.46Å
873S28.5Very low33.8Very low115 Ų115142.3 Ų142.380%0.80479%0.788SS**  trans-75.2100.2165.150.20000108.3
874S31.3Very low32.8Very low101 Ų101147 Ų14771%0.70679%0.792SS**  trans-96.3134.6160.6330000109.4V872V872-S874 PolarHBondContact O-N 3.46Å
875P32.7Very low31.9Very low123 Ų123146.1 Ų146.180%0.79979%0.789SS**  trans-82.7135.5178.433.5-29000108.7
876D32.9Very low31.3Very low161 Ų161147.7 Ų147.786%0.86179%0.792SS**  trans-128.9132161.8-121.4-19.5000110.9
877S29.5Very low30.7Very low92 Ų92142.8 Ų142.864%0.64379%0.787SS**  trans-73.7160.8-176320000113.3
878D31Very low30.3Very low143 Ų143139.8 Ų139.877%0.76578%0.783SS**  trans81.696.4158-63.9-18.2000118.9
879K32.7Very low29.8Very low197 Ų197137.6 Ų137.686%0.85778%0.78SS**  175.4129.499-95.7169.9-173.91740114.6
880V32.3Very low29.6Very low126 Ų126136.9 Ų136.976%0.76478%0.776SS**  trans79.895.9141-1740000119.4
881L26.5Very low29.2Very low161 Ų161137.5 Ų137.584%0.84378%0.775SS**  25.4142.5125.1-68.7164.6000122.1
882N29.4Very low29.4Very low153 Ų153135.4 Ų135.482%0.81877%0.772SS**  trans82.7126.4175.1-73.5-6000114.6
883D31Very low29.1Very low133 Ų133140 Ų14071%0.71178%0.776SS**  cis-157.7165.831-152.9-8.8000111.5
884R30Very low29.1Very low222 Ų222140.7 Ų140.784%0.83877%0.771SS**  trans-41.6159.5170.8-63.8160.9175.2-169.7-2.1113.3
885S26.8Very low28.9Very low96 Ų96142.7 Ų142.767%0.67177%0.772SS**  cis179.2172.710.437.50000107.7
886E29.2Very low28.7Very low184 Ų184143.4 Ų143.486%0.8678%0.775SS**  trans91.2105.5156.6-57.1-174.9178.200119.8
887T24.2Very low28.3Very low128 Ų128140.7 Ų140.779%0.78577%0.769SS**  trans-65.7172.1143.148.40000109.9
888P29.2Very low28.3Very low108 Ų108147.3 Ų147.370%0.70178%0.78SS**  cis-148.616819.840-17.7000118.6
889S24.6Very low28.2Very low101 Ų101145.1 Ų145.171%0.70678%0.775SS**  trans61.6128.6138.669.10000123.6
890S27.4Very low28Very low108 Ų108142.1 Ų142.176%0.75577%0.773SS**  116.2147.7122.977.70000116.8
891S25.8Very low27.8Very low108 Ų108143.3 Ų143.376%0.75577%0.774SS**  cis175121.3-23.1-85.70000105.4
892I30Very low27.8Very low161 Ų161145.1 Ų145.183%0.82678%0.775SS**  trans-150.396.2156.1-62-169.9000107.2
893R26.7Very low27.8Very low220 Ų220142 Ų14283%0.8377%0.771SS**  72.1110.395.4-81.9-176.7179.7177.10.3114.8
894N28.3Very low28Very low129 Ų129141.7 Ų141.769%0.6977%0.773SS**  171.2133.290-97.3-18.1000114.5
895L26Very low28.3Very low142 Ų142140.4 Ų140.474%0.74377%0.774SS**  trans58.2109.7136.4-62156.4000118.1
896T29.4Very low28.8Very low139 Ų139139.6 Ų139.685%0.85376%0.762SS**  -179.1148.981.132.40000111.3
897S24.4Very low29.6Very low104 Ų104136 Ų13673%0.72775%0.752SS**  trans-73.1144.8175.650.90000114.4
898R28.7Very low30.6Very low231 Ų231135.4 Ų135.487%0.87274%0.744SS**  174.5123.2112.8-112.5179.9169.2160-3.5114.9
899S29.3Very low31.4Very low96 Ų96131.2 Ų131.267%0.67172%0.717SS**  trans42.9100.5131.862.50000120.1
900T29Very low32.4Very low134 Ų134130.8 Ų130.882%0.82271%0.706SS**  trans-48.3145.1133.816.50000112.1
901I27.6Very low33.4Very low151 Ų151130.8 Ų130.877%0.77469%0.694SS**  trans130.8116.6161.7-67158.8000111.8
902K27.5Very low34.7Very low199 Ų199132.4 Ų132.487%0.86569%0.691SS**  trans82.394.3166.4-69.3166.1-177.51770118.7
903A29.3Very low36.2Very low88 Ų88125.3 Ų125.373%0.72766%0.655SS**  trans-14223.516000000114.4
904V35.3Very low38Very low127 Ų127121.4 Ų121.477%0.7764%0.644SS**SBendtrans-108.124-173.7-168.70000113.2
905K36Very low40.1Very low194 Ų194120 Ų12084%0.84364%0.636SS**SBendtrans-133.611.8-179.4-85.3-172.2175.6176.60116.5
906D37.5Very low42.5Very low79 Ų79114.1 Ų114.142%0.42261%0.606SS.*  trans-103.72.1-179.3-71-34.5000114.4M1145D906-M1145 HydrophobicContact CB-SD 4.24Å
907V45.3Very low45.1Very low109 Ų109110.9 Ų110.966%0.66159%0.586SS**Hα-helixtrans-72.4-35.1-175.6-174.80000112.9V909 L910V907-V909 PolarHBondContact O-N 2.85Å; V907-V909 VanDerWaalsContact O-N 3.11Å; V907-L910 PolarHBondContact O-N 3.24Å
908D45.7Very low47.8Very low115 Ų115107.1 Ų107.162%0.61556%0.558SS**Hα-helixtrans-70.6-6.6-177.3-110.8-1.7000114.8
909V46.2Very low50.4Low20 Ų20101.1 Ų101.112%0.12154%0.543CS..Hα-helixtrans-96.8-23.4179.1174.60000112.1V907 E911 M912 Q1142 M1145V907-V909 PolarHBondContact O-N 2.85Å; V907-V909 VanDerWaalsContact O-N 3.11Å; V909-E911 PolarHBondContact O-N 3.45Å; V909-M912 PolarHBondContact O-N 3.23Å; V909-Q1142 HydrophobicContact CG1-CB 4.02Å; V909-Q1142 HydrophobicContact CG1-CG 3.56Å; V909-M1145 HydrophobicContact CB-CE 3.6Å; V909-M1145 HydrophobicContact CB-SD 4.17Å; V909-M1145 HydrophobicContact CG1-CE 3.39Å; V909-M1145 HydrophobicContact CG1-SD 4.08Å; V909-M1145 HydrophobicContact CG2-CE 3.95Å
910L45.6Very low53Low93 Ų9399.8 Ų99.849%0.48753%0.526SS..Hα-helixtrans-70.4-31.2-175.1-12878.2000112.5V907 M912 I913 M1145V907-L910 PolarHBondContact O-N 3.24Å; L910-M912 VanDerWaalsContact C-N 3.26Å; L910-M912 PolarHBondContact O-N 2.97Å; L910-I913 PolarHBondContact O-N 3.06Å; L910-M1145 HydrophobicContact CD1-SD 4.4Å
911E48.7Very low55.7Low108 Ų10893.5 Ų93.551%0.50549%0.487SS..THydrogen-bonded Turntrans-66.2-22.7-179.4-84.5-179161.300114.1S504 V909S504-E911 WeakPolarHBondContact CB-OE1 3.5Å; S504-E911 WeakPolarHBondContact CB-OE2 3.46Å; S504-E911 VanDerWaalsContact OG-CD 3.25Å; S504-E911 PolarHBondContact OG-OE1 3Å; S504-E911 PolarHBondContact OG-OE2 3.05Å; V909-E911 PolarHBondContact O-N 3.45Å
912M51.9Low58.5Low141 Ų14189 Ų8970%0.69546%0.463SS*.THydrogen-bonded Turntrans-85.7-12.4177.9-64.4-162.7101.300113.7V909 L910V909-M912 PolarHBondContact O-N 3.23Å; L910-M912 VanDerWaalsContact C-N 3.26Å; L910-M912 PolarHBondContact O-N 2.97Å
913I61.4Low61.3Low13 Ų1386.6 Ų86.67%0.06746%0.455CS..SBendtrans-101.598.2-177.4-61.1173.2000108.5L910 L915 M1075 L1146 L1149L910-I913 PolarHBondContact O-N 3.06Å; I913-L915 PolarHBondContact O-N 2.71Å; I913-M1075 HydrophobicContact CD1-CE 3.89Å; I913-M1075 HydrophobicContact CG1-CE 3.84Å; I913-L1146 HydrophobicContact CD1-CB 4.11Å; I913-L1146 HydrophobicContact CG2-CD1 3.39Å; I913-L1149 HydrophobicContact CG2-CD2 3.77Å
914K65.1Low64.1Low137 Ų13785.3 Ų85.360%0.59643%0.434SS*.  trans-57.4113.1179.2-169.5-175177.1-158.10110.6V916 E920 Q1071K914-V916 PolarHBondContact O-N 2.77Å; K914-E920 WeakPolarHBondContact CE-OE1 3.38Å; K914-E920 IonicContact NZ-OE1 3.93Å; K914-E920 PolarHBondContact NZ-OE1 3.46Å; K914-E920 IonicContact NZ-OE2 2.96Å; K914-Q1071 PolarHBondContact O-NE2 2.92Å
915L71.4Confident66.6Low101 Ų10187.7 Ų87.753%0.52943%0.434SS..PPolyproline II helixtrans-62.4127169-94.4145.3000109.6I913 L1149I913-L915 PolarHBondContact O-N 2.71Å; L915-L1149 HydrophobicContact CD2-CD1 4.06Å; L915-L1149 HydrophobicContact CD2-CD2 4.41Å; L915-L1149 HydrophobicContact CD2-CG 4.5Å; L915-L1149 HydrophobicContact CG-CD2 4.28Å
916V77.5Confident69.3Low18 Ų1880.7 Ų80.711%0.10941%0.412CS..PPolyproline II helixtrans-94.1118.2175.9178.90000107.5K914 V921 L1064 I1067 Q1071 Q1153K914-V916 PolarHBondContact O-N 2.77Å; V916-V921 HydrophobicContact CG1-CG2 3.79Å; V916-L1064 HydrophobicContact CB-CD1 4.4Å; V916-L1064 HydrophobicContact CG1-CD1 4.02Å; V916-I1067 HydrophobicContact CB-CG2 4.46Å; V916-I1067 HydrophobicContact CG1-CD1 4.18Å; V916-I1067 HydrophobicContact CG1-CG2 4.14Å; V916-I1067 HydrophobicContact CG2-CG2 3.6Å; V916-Q1071 VanDerWaalsContact CG2-NE2 3.35Å; V916-Q1153 PolarHBondContact O-NE2 2.98Å
917T82.8Confident71.9Confident71 Ų7178.1 Ų78.144%0.43640%0.397SS..PPolyproline II helixtrans-89.3157.6177.765.20000110.7D919 E920 V921T917-D919 PolarHBondContact O-N 2.88Å; T917-E920 WeakPolarHBondContact O-CB 3.05Å; T917-E920 PolarHBondContact O-N 3.1Å; T917-E920 VanDerWaalsContact O-N 3.1Å; T917-E920 WeakPolarHBondContact OG1-CG 3.31Å; T917-E920 PolarHBondContact OG1-N 2.7Å; T917-V921 PolarHBondContact O-N 3.49Å
918I82.6Confident74.1Confident25 Ų2575.7 Ų75.713%0.12838%0.382CS..Hα-helixtrans-60.3-36.6176.7-68.3168.3000110.5E920 V921 Q922 W1057 V1157 E1160I918-E920 VanDerWaalsContact C-N 3.32Å; I918-E920 PolarHBondContact O-N 2.99Å; I918-V921 CarbonylContact O-C 3.5Å; I918-V921 WeakPolarHBondContact O-CA 3.41Å; I918-V921 WeakPolarHBondContact O-CB 3.47Å; I918-V921 PolarHBondContact O-N 2.8Å; I918-Q922 HydrophobicContact CG2-CG 4.2Å; I918-Q922 WeakPolarHBondContact O-CG 3.41Å; I918-Q922 PolarHBondContact O-N 3.03Å; I918-W1057 HydrophobicContact CD1-CH2 4.5Å; I918-W1057 HydrophobicContact CD1-CZ3 4.39Å; I918-W1057 HydrophobicContact CG2-CH2 4.25Å; I918-W1057 HydrophobicContact CG2-CZ3 4.24Å; I918-V1157 HydrophobicContact CD1-CG2 3.84Å; I918-V1157 HydrophobicContact CG1-CG2 3.81Å; I918-E1160 HydrophobicContact CD1-CG 4.42Å; I918-E1160 WeakPolarHBondContact CD1-OE1 3.2Å; I918-E1160 WeakPolarHBondContact CD1-OE2 3.26Å
919D82.4Confident76.4Confident105 Ų10577.9 Ų77.956%0.56139%0.386SS*.Hα-helixtrans-58.6-40.3174.2-66-22.3000112.8T917 V921 Q922 Q923T917-D919 PolarHBondContact O-N 2.88Å; D919-V921 VanDerWaalsContact C-N 3.33Å; D919-Q922 PolarHBondContact O-N 3.01Å; D919-Q923 WeakPolarHBondContact O-CG 3.34Å; D919-Q923 PolarHBondContact O-N 3.44Å; D919-Q923 VanDerWaalsContact O-N 3.15Å
920E83.5Confident78.7Confident67 Ų6778.3 Ų78.331%0.31339%0.388SS..Hα-helixtrans-64.9-39175.2-73.6-173.7152.900111K914 T917 I918 Q923K914-E920 WeakPolarHBondContact CE-OE1 3.38Å; K914-E920 IonicContact NZ-OE1 3.93Å; K914-E920 PolarHBondContact NZ-OE1 3.46Å; K914-E920 IonicContact NZ-OE2 2.96Å; T917-E920 WeakPolarHBondContact O-CB 3.05Å; T917-E920 PolarHBondContact O-N 3.1Å; T917-E920 VanDerWaalsContact O-N 3.1Å; T917-E920 WeakPolarHBondContact OG1-CG 3.31Å; T917-E920 PolarHBondContact OG1-N 2.7Å; I918-E920 VanDerWaalsContact C-N 3.32Å; I918-E920 PolarHBondContact O-N 2.99Å; E920-Q923 PolarHBondContact O-N 2.74Å
921V85.9Confident80.8Confident2 Ų276 Ų761%0.01238%0.378CS..Hα-helixtrans-66.8-37.5175.9-174.20000111.3V916 T917 I918 D919 Q923 E924 V1060 L1063 L1064 I1067V916-V921 HydrophobicContact CG1-CG2 3.79Å; T917-V921 PolarHBondContact O-N 3.49Å; I918-V921 CarbonylContact O-C 3.5Å; I918-V921 WeakPolarHBondContact O-CA 3.41Å; I918-V921 WeakPolarHBondContact O-CB 3.47Å; I918-V921 PolarHBondContact O-N 2.8Å; D919-V921 VanDerWaalsContact C-N 3.33Å; V921-Q923 VanDerWaalsContact C-N 3.29Å; V921-Q923 PolarHBondContact O-N 3.02Å; V921-E924 VanDerWaalsContact O-CB 3.3Å; V921-E924 WeakPolarHBondContact O-CB 3.22Å; V921-E924 PolarHBondContact O-N 3.13Å; V921-V1060 HydrophobicContact CG1-CB 4.48Å; V921-V1060 HydrophobicContact CG1-CG1 4.02Å; V921-L1063 HydrophobicContact CG1-CB 3.52Å; V921-L1063 HydrophobicContact CG1-CD1 4.1Å; V921-L1063 HydrophobicContact CG1-CG 4.48Å; V921-L1064 HydrophobicContact CG2-CD1 4.17Å; V921-I1067 HydrophobicContact CG2-CD1 4Å
922Q87.2Confident83Confident58 Ų5877.5 Ų77.527%0.27138%0.383SS..Hα-helixtrans-72.2-19.6179.3-70.2-177.1-0.300113.4I918 D919 E924 Y927 V1060I918-Q922 HydrophobicContact CG2-CG 4.2Å; I918-Q922 WeakPolarHBondContact O-CG 3.41Å; I918-Q922 PolarHBondContact O-N 3.03Å; D919-Q922 PolarHBondContact O-N 3.01Å; Q922-E924 PolarHBondContact O-N 2.92Å; Q922-Y927 HydrophobicContact CB-CD1 3.74Å; Q922-Y927 HydrophobicContact CB-CE1 3.7Å; Q922-Y927 HydrophobicContact CB-CG 4.41Å; Q922-Y927 HydrophobicContact CG-CD1 3.99Å; Q922-Y927 HydrophobicContact CG-CE1 3.59Å; Q922-Y927 HydrophobicContact CG-CE2 4.25Å; Q922-Y927 HydrophobicContact CG-CG 4.46Å; Q922-Y927 WeakPolarHBondContact O-CD1 3.4Å; Q922-V1060 HydrophobicContact CG-CG2 4.47Å
923Q86Confident85Confident147 Ų14775.8 Ų75.869%0.68737%0.371SS*.THydrogen-bonded Turntrans-74.7-12.4173.3-72.5173.829.500113.3D919 E920 V921D919-Q923 WeakPolarHBondContact O-CG 3.34Å; D919-Q923 PolarHBondContact O-N 3.44Å; D919-Q923 VanDerWaalsContact O-N 3.15Å; E920-Q923 PolarHBondContact O-N 2.74Å; V921-Q923 VanDerWaalsContact C-N 3.29Å; V921-Q923 PolarHBondContact O-N 3.02Å
924E88.4Confident86.7Confident62 Ų6275.1 Ų75.129%0.2937%0.368SS..SBendtrans-59.4140.1177.7-79.1-73.4-174.400112V921 Q922 A926 Y927 T928 L1063 R1066V921-E924 VanDerWaalsContact O-CB 3.3Å; V921-E924 WeakPolarHBondContact O-CB 3.22Å; V921-E924 PolarHBondContact O-N 3.13Å; Q922-E924 PolarHBondContact O-N 2.92Å; E924-A926 PolarHBondContact O-N 3.24Å; E924-Y927 PolarHBondContact O-N 2.96Å; E924-T928 PolarHBondContact O-N 3.24Å; E924-T928 VanDerWaalsContact O-N 3.14Å; E924-T928 PolarHBondContact O-OG1 2.88Å; E924-L1063 HydrophobicContact CB-CD1 3.87Å; E924-L1063 HydrophobicContact CB-CD2 4.41Å; E924-L1063 HydrophobicContact CG-CD1 4.37Å; E924-L1063 HydrophobicContact CG-CD2 4.46Å; E924-R1066 VanDerWaalsContact CD-NH2 3.26Å; E924-R1066 IonicContact OE1-CZ 3.05Å; E924-R1066 IonicContact OE1-NH2 3.64Å; E924-R1066 PolarHBondContact OE1-NH2 3.11Å; E924-R1066 IonicContact OE2-NH2 2.97Å
925K88.5Confident88Confident177 Ų17774 Ų7477%0.7737%0.365SS*.Hα-helixtrans-57.9-29.7-176.2-71.3-178.5-179.9175.40112.8T928 K929K925-T928 WeakPolarHBondContact CA-OG1 3.41Å; K925-T928 PolarHBondContact O-OG1 3.17Å; K925-K929 VanDerWaalsContact O-CB 3.28Å; K925-K929 WeakPolarHBondContact O-CB 3.44Å; K925-K929 PolarHBondContact O-N 2.94Å
926A90.8Very high89.1Confident47 Ų4776.6 Ų76.639%0.38837%0.372SS..Hα-helixtrans-67.8-44.8177.500000111.9E924 L930 L1059 L1063E924-A926 PolarHBondContact O-N 3.24Å; A926-L930 PolarHBondContact O-N 2.83Å; A926-L930 VanDerWaalsContact O-N 3.17Å; A926-L1059 HydrophobicContact CB-CD2 4.38Å; A926-L1063 HydrophobicContact CB-CD2 4.41Å
927Y93.4Very high89.9Confident24 Ų2479.2 Ų79.29%0.09438%0.383CS..Hα-helixtrans-67.5-51.6-179.7-175.1-93.9000111.1Q922 E924 K929 L930 T931 E1056 L1059 V1060Q922-Y927 HydrophobicContact CB-CD1 3.74Å; Q922-Y927 HydrophobicContact CB-CE1 3.7Å; Q922-Y927 HydrophobicContact CB-CG 4.41Å; Q922-Y927 HydrophobicContact CG-CD1 3.99Å; Q922-Y927 HydrophobicContact CG-CE1 3.59Å; Q922-Y927 HydrophobicContact CG-CE2 4.25Å; Q922-Y927 HydrophobicContact CG-CG 4.46Å; Q922-Y927 WeakPolarHBondContact O-CD1 3.4Å; E924-Y927 PolarHBondContact O-N 2.96Å; Y927-K929 PolarHBondContact O-N 3.25Å; Y927-K929 VanDerWaalsContact O-N 3.12Å; Y927-L930 WeakPolarHBondContact O-CA 3.35Å; Y927-L930 WeakPolarHBondContact O-CB 3.4Å; Y927-L930 PolarHBondContact O-N 3.07Å; Y927-T931 WeakPolarHBondContact CE1-OG1 3.37Å; Y927-T931 PolarHBondContact O-N 2.75Å; Y927-T931 PolarHBondContact O-OG1 3.44Å; Y927-E1056 HydrophobicContact CE2-CB 3.98Å; Y927-E1056 HydrophobicContact CE2-CG 4.22Å; Y927-L1059 HydrophobicContact CD2-CD2 4.45Å; Y927-V1060 HydrophobicContact CD2-CG2 3.76Å; Y927-V1060 HydrophobicContact CE2-CG2 3.55Å
928T91.1Very high90.4Very high58 Ų5878.6 Ų78.636%0.35637%0.373SS..Hα-helixtrans-57.6-32.2178.254.60000113.5E924 K925 K932E924-T928 PolarHBondContact O-N 3.24Å; E924-T928 VanDerWaalsContact O-N 3.14Å; E924-T928 PolarHBondContact O-OG1 2.88Å; K925-T928 WeakPolarHBondContact CA-OG1 3.41Å; K925-T928 PolarHBondContact O-OG1 3.17Å; T928-K932 WeakPolarHBondContact O-CB 3.36Å; T928-K932 VanDerWaalsContact O-CG 3.31Å; T928-K932 WeakPolarHBondContact O-CG 3.38Å; T928-K932 PolarHBondContact O-N 2.96Å
929K93.8Very high90.9Very high161 Ų16183 Ų8370%0.739%0.393SS*.Hα-helixtrans-71.5-38.7174.2-171.7178.2179.5-176.60112.2K925 Y927 K933K925-K929 VanDerWaalsContact O-CB 3.28Å; K925-K929 WeakPolarHBondContact O-CB 3.44Å; K925-K929 PolarHBondContact O-N 2.94Å; Y927-K929 PolarHBondContact O-N 3.25Å; Y927-K929 VanDerWaalsContact O-N 3.12Å; K929-K933 PolarHBondContact O-N 3.36Å
930L94Very high91.5Very high29 Ų2981.5 Ų81.515%0.15239%0.39CS..Hα-helixtrans-66.3-50177-175.564000111A926 Y927 K932 K933 H934 E1055 E1056 L1059A926-L930 PolarHBondContact O-N 2.83Å; A926-L930 VanDerWaalsContact O-N 3.17Å; Y927-L930 WeakPolarHBondContact O-CA 3.35Å; Y927-L930 WeakPolarHBondContact O-CB 3.4Å; Y927-L930 PolarHBondContact O-N 3.07Å; L930-K932 VanDerWaalsContact C-N 3.28Å; L930-K932 PolarHBondContact O-N 3.08Å; L930-K933 WeakPolarHBondContact O-CA 3.5Å; L930-K933 VanDerWaalsContact O-CB 3.28Å; L930-K933 WeakPolarHBondContact O-CB 3.36Å; L930-K933 PolarHBondContact O-N 3.11Å; L930-H934 WeakPolarHBondContact CD1-NE2 3.46Å; L930-H934 PolarHBondContact O-N 2.88Å; L930-E1055 HydrophobicContact CD2-CB 4.47Å; L930-E1056 HydrophobicContact CD2-CG 4.17Å; L930-L1059 HydrophobicContact CB-CD2 4.08Å; L930-L1059 HydrophobicContact CD2-CB 4.2Å; L930-L1059 HydrophobicContact CD2-CD2 3.66Å
931T91.5Very high92Very high45 Ų4579.4 Ų79.428%0.27638%0.381SS..Hα-helixtrans-59.3-38.7179.3-45.50000111.9Y927 K933 H934 Q935Y927-T931 WeakPolarHBondContact CE1-OG1 3.37Å; Y927-T931 PolarHBondContact O-N 2.75Å; Y927-T931 PolarHBondContact O-OG1 3.44Å; T931-K933 VanDerWaalsContact C-N 3.33Å; T931-K933 PolarHBondContact O-N 2.84Å; T931-H934 PolarHBondContact O-N 2.86Å; T931-Q935 WeakPolarHBondContact O-CB 3.06Å; T931-Q935 PolarHBondContact O-N 3.07Å
932K93Very high92.3Very high140 Ų14083.4 Ų83.461%0.60940%0.398SS*.Hα-helixtrans-65.1-33.2173.8-77.2177.8-179.1178.40113.3T928 L930 K936T928-K932 WeakPolarHBondContact O-CB 3.36Å; T928-K932 VanDerWaalsContact O-CG 3.31Å; T928-K932 WeakPolarHBondContact O-CG 3.38Å; T928-K932 PolarHBondContact O-N 2.96Å; L930-K932 VanDerWaalsContact C-N 3.28Å; L930-K932 PolarHBondContact O-N 3.08Å; K932-K936 WeakPolarHBondContact O-CG 3.33Å; K932-K936 PolarHBondContact O-N 3.45Å
933K95.5Very high92.6Very high104 Ų10487 Ų8745%0.45241%0.414SS..Hα-helixtrans-67.9-49.3174.1-179.3-166.1171.1-135.30109.7K929 L930 T931 Q935 K936 E937K929-K933 PolarHBondContact O-N 3.36Å; L930-K933 WeakPolarHBondContact O-CA 3.5Å; L930-K933 VanDerWaalsContact O-CB 3.28Å; L930-K933 WeakPolarHBondContact O-CB 3.36Å; L930-K933 PolarHBondContact O-N 3.11Å; T931-K933 VanDerWaalsContact C-N 3.33Å; T931-K933 PolarHBondContact O-N 2.84Å; K933-Q935 VanDerWaalsContact C-N 3.35Å; K933-Q935 PolarHBondContact O-N 3.36Å; K933-K936 PolarHBondContact O-N 2.93Å; K933-K936 VanDerWaalsContact O-N 3.15Å; K933-E937 WeakPolarHBondContact CE-OE1 3.29Å; K933-E937 IonicContact NZ-OE1 2.77Å; K933-E937 PolarHBondContact O-N 2.77Å
934H96Very high92.9Very high0 Ų086.9 Ų86.90%041%0.408CS..Hα-helixtrans-58.6-43.8177.8-69.5173.3000112.7L930 T931 K936 E937 Y938 H1052 E1055 E1056L930-H934 WeakPolarHBondContact CD1-NE2 3.46Å; L930-H934 PolarHBondContact O-N 2.88Å; T931-H934 PolarHBondContact O-N 2.86Å; H934-K936 VanDerWaalsContact C-N 3.3Å; H934-K936 PolarHBondContact O-N 2.83Å; H934-E937 PolarHBondContact O-N 2.83Å; H934-Y938 WeakPolarHBondContact O-CB 3.36Å; H934-Y938 PolarHBondContact O-N 3.38Å; H934-H1052 HydrophobicContact CB-CB 4.27Å; H934-H1052 WeakPolarHBondContact CB-ND1 3.39Å; H934-H1052 AromaticContact CD2-CD2 3.21Å; H934-H1052 PolarHBondContact CD2-CD2 3.14Å; H934-H1052 AromaticContact CD2-CG 3.73Å; H934-H1052 AromaticContact CD2-NE2 3.43Å; H934-H1052 PolarHBondContact CD2-NE2 2.85Å; H934-H1052 AromaticContact CE1-CD2 3.88Å; H934-H1052 PolarHBondContact CE1-O 3.25Å; H934-H1052 AromaticContact CG-CD2 3.48Å; H934-H1052 VanDerWaalsContact CG-CD2 3.48Å; H934-H1052 AromaticContact CG-CE1 3.96Å; H934-H1052 AromaticContact CG-CG 3.47Å; H934-H1052 VanDerWaalsContact CG-CG 3.47Å; H934-H1052 AromaticContact CG-ND1 3.79Å; H934-H1052 AromaticContact CG-NE2 3.78Å; H934-H1052 AromaticContact ND1-CD2 3.89Å; H934-H1052 AromaticContact ND1-CG 3.7Å; H934-H1052 AromaticContact NE2-CD2 3.54Å; H934-H1052 PolarHBondContact O-CE1 3.38Å; H934-E1055 IonicContact CE1-OE2 3.69Å; H934-E1055 IonicContact NE2-OE2 2.89Å; H934-E1055 PolarHBondContact NE2-OE2 3.19Å; H934-E1056 IonicContact CE1-OE1 2.72Å; H934-E1056 IonicContact CG-OE1 3.37Å; H934-E1056 IonicContact ND1-OE1 3.51Å; H934-E1056 PolarHBondContact ND1-OE1 3.25Å
935Q93.1Very high93.2Very high112 Ų11284.1 Ų84.152%0.52340%0.395SS..Hα-helixtrans-59.3-40.3177-168.51782100112.3T931 K933 Q939T931-Q935 WeakPolarHBondContact O-CB 3.06Å; T931-Q935 PolarHBondContact O-N 3.07Å; K933-Q935 VanDerWaalsContact C-N 3.35Å; K933-Q935 PolarHBondContact O-N 3.36Å; Q935-Q939 WeakPolarHBondContact O-CB 3.46Å; Q935-Q939 VanDerWaalsContact O-CG 3.25Å; Q935-Q939 WeakPolarHBondContact O-CG 3.35Å; Q935-Q939 PolarHBondContact O-N 2.93Å
936K94.1Very high93.4Very high157 Ų15780.2 Ų80.268%0.68338%0.382SS*.Hα-helixtrans-68.1-42.2176.8-73.4179.2-180-174.50112.4K932 K933 H934 C940K932-K936 WeakPolarHBondContact O-CG 3.33Å; K932-K936 PolarHBondContact O-N 3.45Å; K933-K936 PolarHBondContact O-N 2.93Å; K933-K936 VanDerWaalsContact O-N 3.15Å; H934-K936 VanDerWaalsContact C-N 3.3Å; H934-K936 PolarHBondContact O-N 2.83Å; K936-C940 WeakPolarHBondContact O-CB 3.35Å; K936-C940 PolarHBondContact O-N 2.89Å
937E95.3Very high93.5Very high73 Ų7385.2 Ų85.234%0.34139%0.394SS..Hα-helixtrans-62.8-46177.6-72.5174.2179.300111.4K933 H934 C940 L941 H1052K933-E937 WeakPolarHBondContact CE-OE1 3.29Å; K933-E937 IonicContact NZ-OE1 2.77Å; K933-E937 PolarHBondContact O-N 2.77Å; H934-E937 PolarHBondContact O-N 2.83Å; E937-C940 WeakPolarHBondContact O-CB 3.33Å; E937-C940 PolarHBondContact O-N 2.96Å; E937-L941 PolarHBondContact O-N 2.89Å; E937-H1052 IonicContact OE2-CD2 3.01Å; E937-H1052 IonicContact OE2-CE1 2.61Å; E937-H1052 IonicContact OE2-NE2 3.24Å; E937-H1052 PolarHBondContact OE2-NE2 3.25Å
938Y93.4Very high93.4Very high57 Ų5788.2 Ų88.222%0.22441%0.409CS..Hα-helixtrans-64.4-42.8178.4-172.2-101.7000112.3H934 C940 L941 K942 E1045 L1048H934-Y938 WeakPolarHBondContact O-CB 3.36Å; H934-Y938 PolarHBondContact O-N 3.38Å; Y938-C940 VanDerWaalsContact C-N 3.34Å; Y938-C940 PolarHBondContact O-N 2.96Å; Y938-L941 PolarHBondContact O-N 2.89Å; Y938-K942 HydrophobicContact CD1-CD 4.32Å; Y938-K942 HydrophobicContact CE1-CD 3.69Å; Y938-K942 VanDerWaalsContact CE1-CE 3.44Å; Y938-K942 HydrophobicContact CE1-CG 4.24Å; Y938-K942 VanDerWaalsContact CZ-CE 3.44Å; Y938-K942 PolarHBondContact O-N 2.82Å; Y938-K942 WeakPolarHBondContact OH-CE 3.41Å; Y938-K942 PolarHBondContact OH-NZ 3.47Å; Y938-E1045 HydrophobicContact CE2-CB 4.24Å; Y938-E1045 HydrophobicContact CE2-CG 4.39Å; Y938-E1045 PolarHBondContact OH-OE2 3.08Å; Y938-L1048 HydrophobicContact CD2-CD2 4.27Å
939Q93.1Very high93.4Very high118 Ų11889.4 Ų89.455%0.55141%0.407SS*.Hα-helixtrans-62.7-39.1173.8-76.2177.8-300112.5Q935 K942 H943Q935-Q939 WeakPolarHBondContact O-CB 3.46Å; Q935-Q939 VanDerWaalsContact O-CG 3.25Å; Q935-Q939 WeakPolarHBondContact O-CG 3.35Å; Q935-Q939 PolarHBondContact O-N 2.93Å; Q939-K942 PolarHBondContact O-N 2.78Å; Q939-H943 WeakPolarHBondContact O-CB 3.38Å; Q939-H943 PolarHBondContact O-N 3.02Å
940C94.3Very high93.2Very high74 Ų7486.5 Ų86.550%0.540%0.399SS..Hα-helixtrans-63.9-41.2176.6-169.50000111.6K936 E937 Y938 H943 R944K936-C940 WeakPolarHBondContact O-CB 3.35Å; K936-C940 PolarHBondContact O-N 2.89Å; E937-C940 WeakPolarHBondContact O-CB 3.33Å; E937-C940 PolarHBondContact O-N 2.96Å; Y938-C940 VanDerWaalsContact C-N 3.34Å; Y938-C940 PolarHBondContact O-N 2.96Å; C940-H943 PolarHBondContact O-N 3.48Å; C940-R944 PolarHBondContact O-N 2.79Å
941L94.3Very high93Very high23 Ų2389 Ų8912%0.1241%0.41CS..Hα-helixtrans-62.2-50.6174.9-175.866.5000111.3E937 Y938 H943 R944 H945 E1045 L1048E937-L941 PolarHBondContact O-N 2.89Å; Y938-L941 PolarHBondContact O-N 2.89Å; L941-H943 VanDerWaalsContact C-N 3.3Å; L941-H943 PolarHBondContact O-N 2.96Å; L941-R944 WeakPolarHBondContact O-CA 3.44Å; L941-R944 WeakPolarHBondContact O-CB 3.23Å; L941-R944 PolarHBondContact O-N 3.01Å; L941-H945 WeakPolarHBondContact CD1-NE2 3.49Å; L941-H945 PolarHBondContact O-N 2.75Å; L941-E1045 HydrophobicContact CD2-CG 3.93Å; L941-L1048 HydrophobicContact CB-CD2 4.21Å; L941-L1048 HydrophobicContact CD2-CB 4.27Å; L941-L1048 HydrophobicContact CD2-CD2 3.69Å
942K91.7Very high92.8Very high85 Ų8588.9 Ų88.937%0.3741%0.407SS..Hα-helixtrans-57.9-41.4176.9-81-164.9163.6175.90112.6Y938 Q939 R944 H945 I946 E1045Y938-K942 HydrophobicContact CD1-CD 4.32Å; Y938-K942 HydrophobicContact CE1-CD 3.69Å; Y938-K942 VanDerWaalsContact CE1-CE 3.44Å; Y938-K942 HydrophobicContact CE1-CG 4.24Å; Y938-K942 VanDerWaalsContact CZ-CE 3.44Å; Y938-K942 PolarHBondContact O-N 2.82Å; Y938-K942 WeakPolarHBondContact OH-CE 3.41Å; Y938-K942 PolarHBondContact OH-NZ 3.47Å; Q939-K942 PolarHBondContact O-N 2.78Å; K942-R944 VanDerWaalsContact C-N 3.33Å; K942-R944 PolarHBondContact O-N 2.94Å; K942-H945 PolarHBondContact O-N 3.06Å; K942-I946 WeakPolarHBondContact O-CG1 3.43Å; K942-I946 PolarHBondContact O-N 2.8Å; K942-E1045 WeakPolarHBondContact CE-OE2 3.29Å; K942-E1045 IonicContact NZ-OE2 3.83Å
943H92.4Very high92.4Very high133 Ų13385.8 Ų85.862%0.61639%0.394SS*.Hα-helixtrans-63.1-39.7176.6-17069.4000112.1Q939 C940 L941 K947Q939-H943 WeakPolarHBondContact O-CB 3.38Å; Q939-H943 PolarHBondContact O-N 3.02Å; C940-H943 PolarHBondContact O-N 3.48Å; L941-H943 VanDerWaalsContact C-N 3.3Å; L941-H943 PolarHBondContact O-N 2.96Å; H943-K947 PolarHBondContact O-N 2.73Å; H943-K947 VanDerWaalsContact O-N 3.08Å
944R93.8Very high92Very high145 Ų14588.8 Ų88.855%0.54740%0.403SS..Hα-helixtrans-63.3-41.6173.7-170.9-175.7-63.4161.91.6111.5C940 L941 K942 K947 Q948C940-R944 PolarHBondContact O-N 2.79Å; L941-R944 WeakPolarHBondContact O-CA 3.44Å; L941-R944 WeakPolarHBondContact O-CB 3.23Å; L941-R944 PolarHBondContact O-N 3.01Å; K942-R944 VanDerWaalsContact C-N 3.33Å; K942-R944 PolarHBondContact O-N 2.94Å; R944-K947 PolarHBondContact O-N 3.13Å; R944-Q948 WeakPolarHBondContact O-CG 3.42Å; R944-Q948 PolarHBondContact O-N 2.86Å
945H94.7Very high91.5Very high5 Ų594.3 Ų94.32%0.02343%0.429CS..Hα-helixtrans-63.2-45.2178.1-72.1178.9000112.4L941 K942 K947 Q948 R949 Q1041 E1045L941-H945 WeakPolarHBondContact CD1-NE2 3.49Å; L941-H945 PolarHBondContact O-N 2.75Å; K942-H945 PolarHBondContact O-N 3.06Å; H945-K947 VanDerWaalsContact C-N 3.33Å; H945-K947 PolarHBondContact O-N 2.71Å; H945-Q948 PolarHBondContact O-N 3.32Å; H945-R949 WeakPolarHBondContact O-CG 3.21Å; H945-R949 PolarHBondContact O-N 2.93Å; H945-Q1041 VanDerWaalsContact CA-NE2 3.33Å; H945-Q1041 HydrophobicContact CB-CG 4.14Å; H945-Q1041 PolarHBondContact CE1-O 2.86Å; H945-Q1041 VanDerWaalsContact CE1-O 3.25Å; H945-Q1041 WeakPolarHBondContact ND1-CB 3.39Å; H945-Q1041 PolarHBondContact O-NE2 3.44Å; H945-Q1041 VanDerWaalsContact O-NE2 3.15Å; H945-E1045 IonicContact CE1-OE1 3.8Å; H945-E1045 IonicContact CG-OE1 3.77Å; H945-E1045 IonicContact ND1-OE1 3.26Å; H945-E1045 PolarHBondContact ND1-OE1 3.34Å
946I91.6Very high91.1Very high95 Ų9589.7 Ų89.749%0.48741%0.407SS..Hα-helixtrans-58.7-45.3174.5-67.7165.4000110.6K942 Q948 R949 L950K942-I946 WeakPolarHBondContact O-CG1 3.43Å; K942-I946 PolarHBondContact O-N 2.8Å; I946-Q948 VanDerWaalsContact C-N 3.34Å; I946-Q948 PolarHBondContact O-N 3.05Å; I946-R949 PolarHBondContact O-N 3.44Å; I946-L950 HydrophobicContact CG2-CD1 3.93Å; I946-L950 HydrophobicContact CG2-CG 4.4Å; I946-L950 WeakPolarHBondContact O-CG 3.25Å; I946-L950 PolarHBondContact O-N 2.79Å
947K92.4Very high90.5Very high151 Ų15185.3 Ų85.366%0.65739%0.394SS*.Hα-helixtrans-62.1-40.1178.4-170.4177.7-180179.70112.6H943 R944 H945 E951H943-K947 PolarHBondContact O-N 2.73Å; H943-K947 VanDerWaalsContact O-N 3.08Å; R944-K947 PolarHBondContact O-N 3.13Å; H945-K947 VanDerWaalsContact C-N 3.33Å; H945-K947 PolarHBondContact O-N 2.71Å; K947-E951 PolarHBondContact O-N 3.36Å
948Q92Very high89.8Confident88 Ų8885.2 Ų85.241%0.41140%0.398SS..Hα-helixtrans-66.4-42.1175.9-74.1175.1-17.200112.3R944 H945 I946 E951 M952R944-Q948 WeakPolarHBondContact O-CG 3.42Å; R944-Q948 PolarHBondContact O-N 2.86Å; H945-Q948 PolarHBondContact O-N 3.32Å; I946-Q948 VanDerWaalsContact C-N 3.34Å; I946-Q948 PolarHBondContact O-N 3.05Å; Q948-E951 PolarHBondContact O-N 3.39Å; Q948-M952 PolarHBondContact O-N 3.17Å
949R90.6Very high89Confident82 Ų8284.6 Ų84.631%0.30940%0.402SS..Hα-helixtrans-60.9-46.6175.2-73.5-175.4-166.4-177.95.7111.2H945 I946 E951 M952 Q953 W1034 L1037 Q1041H945-R949 WeakPolarHBondContact O-CG 3.21Å; H945-R949 PolarHBondContact O-N 2.93Å; I946-R949 PolarHBondContact O-N 3.44Å; R949-E951 PolarHBondContact O-N 2.93Å; R949-M952 PolarHBondContact O-N 2.72Å; R949-Q953 WeakPolarHBondContact O-CB 3.5Å; R949-Q953 PolarHBondContact O-N 2.88Å; R949-W1034 HydrophobicContact CB-CH2 3.73Å; R949-W1034 HydrophobicContact CB-CZ3 4.11Å; R949-W1034 HydrophobicContact CG-CH2 4.06Å; R949-W1034 HydrophobicContact CG-CZ2 4.45Å; R949-W1034 HydrophobicContact CG-CZ3 4.47Å; R949-W1034 WeakPolarHBondContact O-CZ3 3.48Å; R949-L1037 HydrophobicContact CG-CD2 4.1Å; R949-Q1041 VanDerWaalsContact CZ-OE1 3.25Å
950L89.8Confident88.1Confident101 Ų10182.6 Ų82.653%0.52939%0.391SS..Hα-helixtrans-62-41177.7-72.3171.2000112.7I946 Q953 R954I946-L950 HydrophobicContact CG2-CD1 3.93Å; I946-L950 HydrophobicContact CG2-CG 4.4Å; I946-L950 WeakPolarHBondContact O-CG 3.25Å; I946-L950 PolarHBondContact O-N 2.79Å; L950-Q953 PolarHBondContact O-N 3.2Å; L950-R954 WeakPolarHBondContact O-CB 3.45Å; L950-R954 PolarHBondContact O-N 2.88Å
951E90Very high87.2Confident81 Ų8183.4 Ų83.438%0.37939%0.388SS..Hα-helixtrans-66.9-43.1177.4-178.157.2-150.600111.7K947 Q948 R949 R954 Q955K947-E951 PolarHBondContact O-N 3.36Å; Q948-E951 PolarHBondContact O-N 3.39Å; R949-E951 PolarHBondContact O-N 2.93Å; E951-R954 PolarHBondContact O-N 2.77Å; E951-R954 IonicContact OE2-NE 2.91Å; E951-Q955 WeakPolarHBondContact O-CG 3.38Å; E951-Q955 PolarHBondContact O-N 3.36Å; E951-Q955 PolarHBondContact OE1-NE2 3.41Å
952M87.6Confident86.1Confident42 Ų4287.6 Ų87.621%0.20741%0.405CS..Hα-helixtrans-62.2-45.6174.9-177.9174.6-77.500111.2Q948 R949 R954 Q955 Q956 W1034 L1037Q948-M952 PolarHBondContact O-N 3.17Å; R949-M952 PolarHBondContact O-N 2.72Å; M952-R954 VanDerWaalsContact C-N 3.32Å; M952-R954 PolarHBondContact O-N 2.8Å; M952-Q955 PolarHBondContact O-N 2.97Å; M952-Q955 VanDerWaalsContact O-N 3.16Å; M952-Q956 HydrophobicContact CG-CG 4.34Å; M952-Q956 VanDerWaalsContact O-CG 3.32Å; M952-Q956 WeakPolarHBondContact O-CG 3.42Å; M952-Q956 PolarHBondContact O-N 3.48Å; M952-W1034 HydrophobicContact CG-CE3 4.25Å; M952-W1034 HydrophobicContact SD-CE3 3.98Å; M952-L1037 HydrophobicContact CB-CD2 4.28Å; M952-L1037 HydrophobicContact CE-CB 4.03Å; M952-L1037 HydrophobicContact CE-CD2 3.82Å; M952-L1037 HydrophobicContact CE-CG 4.38Å; M952-L1037 HydrophobicContact SD-CB 4.16Å; M952-L1037 HydrophobicContact SD-CD2 3.7Å
953Q85.3Confident85Confident75 Ų7584.1 Ų84.135%0.3539%0.391SS..Hα-helixtrans-56.3-47.3175.9-174.5178.913.500110.7R949 L950 Q955 Q956 T957 W1034 L1184R949-Q953 WeakPolarHBondContact O-CB 3.5Å; R949-Q953 PolarHBondContact O-N 2.88Å; L950-Q953 PolarHBondContact O-N 3.2Å; Q953-Q955 VanDerWaalsContact C-N 3.33Å; Q953-Q955 PolarHBondContact O-N 3.16Å; Q953-Q956 PolarHBondContact O-N 2.63Å; Q953-T957 PolarHBondContact O-N 3.05Å; Q953-T957 PolarHBondContact O-OG1 3.48Å; Q953-W1034 HydrophobicContact CB-CZ3 4.2Å; Q953-L1184 HydrophobicContact CB-CD1 4.44Å; Q953-L1184 HydrophobicContact CG-CD1 3.99Å; Q953-L1184 HydrophobicContact CG-CD2 4.01Å
954R86.3Confident83.8Confident168 Ų16880.8 Ų80.863%0.63439%0.386SS*.Hα-helixtrans-58.9-43177.4-164.4178.389.3125.63.6112.3L950 E951 M952 V958L950-R954 WeakPolarHBondContact O-CB 3.45Å; L950-R954 PolarHBondContact O-N 2.88Å; E951-R954 PolarHBondContact O-N 2.77Å; E951-R954 IonicContact OE2-NE 2.91Å; M952-R954 VanDerWaalsContact C-N 3.32Å; M952-R954 PolarHBondContact O-N 2.8Å; R954-V958 VanDerWaalsContact O-CG2 3.29Å; R954-V958 WeakPolarHBondContact O-CG2 3.28Å; R954-V958 PolarHBondContact O-N 3.38Å; R954-V958 VanDerWaalsContact O-N 3.09Å
955Q84.7Confident82.5Confident116 Ų11680.6 Ų80.654%0.54239%0.389SS..Hα-helixtrans-66-40.8178-70.4174.612.800112.1E951 M952 Q953 V958 S959E951-Q955 WeakPolarHBondContact O-CG 3.38Å; E951-Q955 PolarHBondContact O-N 3.36Å; E951-Q955 PolarHBondContact OE1-NE2 3.41Å; M952-Q955 PolarHBondContact O-N 2.97Å; M952-Q955 VanDerWaalsContact O-N 3.16Å; Q953-Q955 VanDerWaalsContact C-N 3.33Å; Q953-Q955 PolarHBondContact O-N 3.16Å; Q955-V958 PolarHBondContact O-N 2.67Å; Q955-S959 WeakPolarHBondContact O-CB 3.41Å; Q955-S959 PolarHBondContact O-N 2.96Å
956Q84.6Confident80.6Confident14 Ų1483.2 Ų83.27%0.06542%0.418CS..Hα-helixtrans-65.6-44.3177.6-70.1-177-1300111.7M952 Q953 V958 S959 F960 Q1030M952-Q956 HydrophobicContact CG-CG 4.34Å; M952-Q956 VanDerWaalsContact O-CG 3.32Å; M952-Q956 WeakPolarHBondContact O-CG 3.42Å; M952-Q956 PolarHBondContact O-N 3.48Å; Q953-Q956 PolarHBondContact O-N 2.63Å; Q956-V958 PolarHBondContact O-N 3.22Å; Q956-S959 WeakPolarHBondContact O-CB 3.46Å; Q956-S959 PolarHBondContact O-N 2.96Å; Q956-F960 PolarHBondContact O-N 3.28Å; Q956-Q1030 HydrophobicContact CB-CG 4.3Å; Q956-Q1030 HydrophobicContact CG-CB 4.15Å; Q956-Q1030 HydrophobicContact CG-CG 3.8Å; Q956-Q1030 PolarHBondContact NE2-O 3.31Å; Q956-Q1030 PolarHBondContact O-NE2 2.87Å
957T83.2Confident78.2Confident66 Ų6687.5 Ų87.541%0.40543%0.433SS..Hα-helixtrans-60.3-46.1175.5-520000111.8Q953 S959 F960 E961Q953-T957 PolarHBondContact O-N 3.05Å; Q953-T957 PolarHBondContact O-OG1 3.48Å; T957-S959 VanDerWaalsContact C-N 3.32Å; T957-S959 PolarHBondContact O-N 2.83Å; T957-F960 PolarHBondContact O-N 3.04Å; T957-E961 PolarHBondContact O-N 2.95Å
958V80.7Confident76Confident71 Ų7183.6 Ų83.643%0.4343%0.425SS..Hα-helixtrans-63.2-39177.9171.40000111.6R954 Q955 Q956 E961 K962R954-V958 VanDerWaalsContact O-CG2 3.29Å; R954-V958 WeakPolarHBondContact O-CG2 3.28Å; R954-V958 PolarHBondContact O-N 3.38Å; R954-V958 VanDerWaalsContact O-N 3.09Å; Q955-V958 PolarHBondContact O-N 2.67Å; Q956-V958 PolarHBondContact O-N 3.22Å; V958-E961 PolarHBondContact O-N 2.98Å; V958-K962 WeakPolarHBondContact O-CG 3.32Å; V958-K962 PolarHBondContact O-N 3.45Å; V958-K962 VanDerWaalsContact O-N 3.12Å
959S75.6Confident74Confident43 Ų4386.3 Ų86.330%0.30144%0.437SS..Hα-helixtrans-62.7-43.3175.4-175.20000111.6Q955 Q956 T957 K962 L963Q955-S959 WeakPolarHBondContact O-CB 3.41Å; Q955-S959 PolarHBondContact O-N 2.96Å; Q956-S959 WeakPolarHBondContact O-CB 3.46Å; Q956-S959 PolarHBondContact O-N 2.96Å; T957-S959 VanDerWaalsContact C-N 3.32Å; T957-S959 PolarHBondContact O-N 2.83Å; S959-K962 PolarHBondContact O-N 3.49Å; S959-L963 PolarHBondContact O-N 3.14Å
960F74.2Confident72.1Confident76 Ų7689.2 Ų89.233%0.33346%0.459SS..Hα-helixtrans-66.5-41.7177.7-161.9-88.5000112.2Q956 T957 K962 L963 A964 I1023 V1027Q956-F960 PolarHBondContact O-N 3.28Å; T957-F960 PolarHBondContact O-N 3.04Å; F960-K962 VanDerWaalsContact C-N 3.31Å; F960-K962 PolarHBondContact O-N 3.32Å; F960-L963 WeakPolarHBondContact O-CB 3.49Å; F960-L963 PolarHBondContact O-N 2.88Å; F960-L963 VanDerWaalsContact O-N 3.14Å; F960-A964 PolarHBondContact O-N 3.37Å; F960-I1023 HydrophobicContact CE2-CG2 3.75Å; F960-I1023 HydrophobicContact CZ-CG2 4.09Å; F960-V1027 HydrophobicContact CD2-CG2 4.37Å; F960-V1027 HydrophobicContact CE2-CG2 3.9Å
961E74.7Confident70.3Confident92 Ų9286.7 Ų86.743%0.4345%0.453SS..Hα-helixtrans-60.1-38.9174.6-79.5-167.2-152.600113T957 V958 L963 A964 K965T957-E961 PolarHBondContact O-N 2.95Å; V958-E961 PolarHBondContact O-N 2.98Å; E961-L963 VanDerWaalsContact C-N 3.34Å; E961-A964 PolarHBondContact O-N 3.33Å; E961-K965 WeakPolarHBondContact O-CG 3.35Å; E961-K965 PolarHBondContact O-N 3.46Å; E961-K965 VanDerWaalsContact O-N 3.13Å; E961-K965 IonicContact OE2-NZ 3.88Å; E961-K965 PolarHBondContact OE2-NZ 2.87Å
962K72.4Confident68.4Low110 Ų11084.2 Ų84.248%0.47844%0.443SS..Hα-helixtrans-64.1-39.1175.6-76.2179.8172-170.80111.5V958 S959 F960 E975V958-K962 WeakPolarHBondContact O-CG 3.32Å; V958-K962 PolarHBondContact O-N 3.45Å; V958-K962 VanDerWaalsContact O-N 3.12Å; S959-K962 PolarHBondContact O-N 3.49Å; F960-K962 VanDerWaalsContact C-N 3.31Å; F960-K962 PolarHBondContact O-N 3.32Å; K962-E975 IonicContact NZ-OE1 3.29Å; K962-E975 IonicContact NZ-OE2 3.04Å; K962-E975 PolarHBondContact NZ-OE2 3.12Å
963L68.6Low66.6Low13 Ų1385.3 Ų85.37%0.06846%0.459CS..Hα-helixtrans-68.1-36.3175.5-85.2151.7000112.8S959 F960 E961 V972 Q1019 L1022 T1026S959-L963 PolarHBondContact O-N 3.14Å; F960-L963 WeakPolarHBondContact O-CB 3.49Å; F960-L963 PolarHBondContact O-N 2.88Å; F960-L963 VanDerWaalsContact O-N 3.14Å; E961-L963 VanDerWaalsContact C-N 3.34Å; L963-V972 HydrophobicContact CD2-CG1 4.36Å; L963-Q1019 PolarHBondContact O-NE2 2.87Å; L963-L1022 HydrophobicContact CD2-CD2 3.5Å; L963-L1022 HydrophobicContact CD2-CG 3.83Å; L963-T1026 HydrophobicContact CD1-CG2 3.68Å
964A67Low64.8Low63 Ų6388.8 Ų88.852%0.52147%0.473SS..Hα-helixtrans-72.3-34.5179.400000113.2F960 E961 G966F960-A964 PolarHBondContact O-N 3.37Å; E961-A964 PolarHBondContact O-N 3.33Å; A964-G966 PolarHBondContact O-N 2.94Å
965K66.8Low63Low140 Ų14085.8 Ų85.861%0.60947%0.466SS*.THydrogen-bonded Turntrans-78.46.9-175.1-73.3170.1-178.31580115.3E961 K967E961-K965 WeakPolarHBondContact O-CG 3.35Å; E961-K965 PolarHBondContact O-N 3.46Å; E961-K965 VanDerWaalsContact O-N 3.13Å; E961-K965 IonicContact OE2-NZ 3.88Å; E961-K965 PolarHBondContact OE2-NZ 2.87Å; K965-K967 PolarHBondContact O-N 3.48Å
966G54.1Low61.2Low61 Ų6183.9 Ų83.963%0.62946%0.459SS*.THydrogen-bonded Turntrans60.112.7166.300000117.2A964 S968A964-G966 PolarHBondContact O-N 2.94Å; G966-S968 PolarHBondContact O-N 3.01Å
967K41.9Very low59.2Low184 Ų18493.9 Ų93.980%0.850%0.496SS*.  trans-91105.7-178.8-75.7-172.7179-178.30111.2K965K965-K967 PolarHBondContact O-N 3.48Å
968S46.9Very low57.2Low70 Ų7098 Ų9849%0.4951%0.511SS..  trans65.595.2168.5-167.20000116.3G966 N970 A971G966-S968 PolarHBondContact O-N 3.01Å; S968-N970 PolarHBondContact O-N 2.95Å; S968-A971 PolarHBondContact O-N 3.43Å; S968-A971 VanDerWaalsContact O-N 3.13Å
969Q49.7Very low55.2Low144 Ų14498.4 Ų98.467%0.67352%0.517SS*.Hα-helixtrans-55.4-16.2167.5-71178.7-20.600113.3
970N49.7Very low53.1Low143 Ų143103.7 Ų103.777%0.76554%0.535SS*.Hα-helixtrans-94-10.6179.7-77.2-19.3000115S968S968-N970 PolarHBondContact O-N 2.95Å
971A51.8Low51.1Low48 Ų48105.5 Ų105.540%0.39755%0.554SS.*Hα-helixtrans-90.5-37.8176.600000112.5S968 K974 E975S968-A971 PolarHBondContact O-N 3.43Å; S968-A971 VanDerWaalsContact O-N 3.13Å; A971-K974 PolarHBondContact O-N 3.42Å; A971-E975 PolarHBondContact O-N 2.88Å; A971-E975 VanDerWaalsContact O-N 3.1Å
972V50.2Low48.9Very low30 Ų30111.9 Ų111.918%0.18257%0.574CS.*Hα-helixtrans-69.8-35.9-176.2-178.80000112.2L963 K974 E975 L976L963-V972 HydrophobicContact CD2-CG1 4.36Å; V972-K974 PolarHBondContact O-N 3.44Å; V972-E975 PolarHBondContact O-N 3.04Å; V972-L976 HydrophobicContact CG1-CD1 3.76Å; V972-L976 PolarHBondContact O-N 3.25Å; V972-L976 VanDerWaalsContact O-N 3.11Å
973A50.1Low47Very low65 Ų65115 Ų11554%0.53760%0.595SS.*Hα-helixtrans-68.1-20.1175.400000113.6
974K47.7Very low45.1Very low147 Ų147121.9 Ų121.964%0.63963%0.627SS**Hα-helixtrans-92.5-35.3178.7-152.8176-177.3-178.50112A971 V972 R977A971-K974 PolarHBondContact O-N 3.42Å; V972-K974 PolarHBondContact O-N 3.44Å; K974-R977 PolarHBondContact O-N 3.09Å
975E47.6Very low43.6Very low105 Ų105126.5 Ų126.549%0.49164%0.643SS.*Hα-helixtrans-71-34.7173.3-86.1-171.315700112.9K962 A971 V972 R977 Q978 S979K962-E975 IonicContact NZ-OE1 3.29Å; K962-E975 IonicContact NZ-OE2 3.04Å; K962-E975 PolarHBondContact NZ-OE2 3.12Å; A971-E975 PolarHBondContact O-N 2.88Å; A971-E975 VanDerWaalsContact O-N 3.1Å; V972-E975 PolarHBondContact O-N 3.04Å; E975-R977 PolarHBondContact O-N 3.02Å; E975-Q978 PolarHBondContact O-N 3.39Å; E975-Q978 VanDerWaalsContact O-N 3.13Å; E975-S979 PolarHBondContact O-N 3.25Å; E975-S979 PolarHBondContact O-OG 3.37Å
976L47.1Very low41.8Very low76 Ų76122.7 Ų122.740%0.39864%0.643SS.*THydrogen-bonded Turntrans-67.2-18.3175.8-106.9109.6000113.8V972V972-L976 HydrophobicContact CG1-CD1 3.76Å; V972-L976 PolarHBondContact O-N 3.25Å; V972-L976 VanDerWaalsContact O-N 3.11Å
977R42.9Very low40.9Very low225 Ų225128.6 Ų128.685%0.84965%0.654SS**THydrogen-bonded Turntrans-91.8-12.3173.9-75.1-175.5177.8-174.30.9113.5K974 E975K974-R977 PolarHBondContact O-N 3.09Å; E975-R977 PolarHBondContact O-N 3.02Å
978Q42.1Very low40.4Very low151 Ų151126.5 Ų126.571%0.70666%0.657SS**THydrogen-bonded Turntrans-108.1-0.4-174.5-72.8-175.6-22.200114.2E975E975-Q978 PolarHBondContact O-N 3.39Å; E975-Q978 VanDerWaalsContact O-N 3.13Å
979S37.2Very low39.8Very low80 Ų80128.6 Ų128.656%0.55967%0.672SS**SBendtrans-96.613.917931.90000114.7E975E975-S979 PolarHBondContact O-N 3.25Å; E975-S979 PolarHBondContact O-OG 3.37Å
980F32.6Very low39.2Very low154 Ų154127 Ų12768%0.67567%0.673SS**  trans-115.993.2171.2-73.4-81000111.2R982F980-R982 PolarHBondContact O-N 2.9Å
981P32Very low38.3Very low115 Ų115128.2 Ų128.275%0.74768%0.679SS**  trans-69.6115.4152.314.2-0.2000107.3L983P981-L983 PolarHBondContact O-N 2.97Å; P981-L983 VanDerWaalsContact O-N 3.13Å
982R29.3Very low37Very low226 Ų226131 Ų13185%0.85369%0.691SS**  trans-49.3115.2162.5-67.8175.3175-175.7-3.2108.5F980F980-R982 PolarHBondContact O-N 2.9Å
983L30.9Very low36.2Very low175 Ų175137.3 Ų137.392%0.91672%0.722SS**  trans-97.4103.8152.8-84.9166.4000107.2P981P981-L983 PolarHBondContact O-N 2.97Å; P981-L983 VanDerWaalsContact O-N 3.13Å
984H29.4Very low35.3Very low157 Ų157140 Ų14073%0.72773%0.733SS**  trans-66.7129.1166.6-124.9-77.9000108.9
985D34.5Very low34.4Very low161 Ų161142.9 Ų142.986%0.86175%0.745SS**  trans154.3121.7148.3-86.7-9.5000106.2
986G30.7Very low33.7Very low59 Ų59143 Ų14361%0.60876%0.758SS**  cis166.2132.93.800000105.2
987H33.5Very low33Very low185 Ų185147.3 Ų147.386%0.85678%0.78SS**  trans63.5106.6168.6-58.4-70.2000117
988T32.9Very low32.3Very low140 Ų140144.3 Ų144.386%0.85978%0.781SS**  -174.1160.969.224.80000111.1
989S33.9Very low31.8Very low115 Ų115140.5 Ų140.580%0.80478%0.782SS**  trans-94.8-170.6-154.2-25.40000114.5
990P36.5Very low31.7Very low110 Ų110142.7 Ų142.771%0.71479%0.792SS**  -126.8-176.3-123.732.9-8.4000114.5
991L31Very low31.7Very low168 Ų168141.3 Ų141.388%0.8880%0.797SS**  trans-173.9108.7151-94.6144.7000108.5
992T25.9Very low32.2Very low107 Ų107141 Ų14166%0.65679%0.794SS**  76.2106.272.1-48.60000115.4T994T992-T994 HydrophobicContact CG2-CG2 4.39Å
993I31.8Very low32.2Very low163 Ų163137.4 Ų137.484%0.83679%0.791SS**  trans-147.989.2145.9-62.4-171.4000105.9
994T32.7Very low32.2Very low122 Ų122135.1 Ų135.175%0.74879%0.785SS**  64.3127.3101.756.80000117.2T992T992-T994 HydrophobicContact CG2-CG2 4.39Å
995K27.9Very low32.3Very low207 Ų207132.1 Ų132.190%0.978%0.782SS**  trans-91.1155.4177-70.8172.7169.4179.40111.6
996S32.3Very low32Very low108 Ų108132.3 Ų132.376%0.75578%0.783SS**  trans-179144.9141.454.20000109.2
997L32.9Very low32.2Very low165 Ų165132.9 Ų132.986%0.86479%0.788SS**  cis-165164.9-0.8-137.389.5000108.5
998D28Very low32.2Very low162 Ų162132 Ų13287%0.86679%0.789SS**  trans-69.9169.8-173.7-63.3-60.8000118.5
999G32.1Very low32.3Very low72 Ų72132.8 Ų132.874%0.74279%0.788SS**  trans175.766162.900000119.5
1000T34.8Very low32.3Very low125 Ų125132 Ų13277%0.76778%0.775SS**  trans29.1111.5139.34.40000125.2
1001T32.7Very low32.4Very low125 Ų125138.6 Ų138.677%0.76779%0.786SS**  68.916812362.40000123.1
1002P42.2Very low33Very low108 Ų108135.4 Ų135.470%0.70178%0.777SS**  -138-175-94.834.8-8.9000116.7
1003L29.1Very low33.7Very low151 Ų151132.9 Ų132.979%0.79176%0.764SS**  trans111.3132146.1-73.4164.1000122.3
1004T31.2Very low34.3Very low127 Ų127129.9 Ų129.978%0.77975%0.753SS**  trans76.1142.3152.368.30000118.3
1005S30.9Very low34.8Very low94 Ų94128 Ų12866%0.65774%0.741SS**  cis-172.5151.8-7.847.30000109.2
1006N30Very low35.8Very low166 Ų166121.6 Ų121.689%0.88872%0.722SS**  trans76.5131.3153.5-63.1-12.3000122
1007G34.5Very low36.6Very low70 Ų70120.8 Ų120.872%0.72272%0.716SS**  trans129.881170.400000110.6
1008L32.8Very low37.9Very low166 Ų166116.5 Ų116.587%0.86970%0.697SS**  47.7127.398.2-76.4162.4000113.9
1009D34.3Very low39.5Very low157 Ų157112 Ų11284%0.8467%0.67SS**  trans80.394.5177.1-55.3-23.7000116.8
1010D35.9Very low41.2Very low99 Ų99111.6 Ų111.653%0.52965%0.654SS.*  159.382.3122.8-164.211.6000111.1S1012 S1013D1010-S1012 VanDerWaalsContact C-N 3.31Å; D1010-S1012 PolarHBondContact OD1-N 3.09Å; D1010-S1013 VanDerWaalsContact CG-OG 3.26Å; D1010-S1013 VanDerWaalsContact OD2-CB 3.29Å; D1010-S1013 WeakPolarHBondContact OD2-CB 3.5Å; D1010-S1013 PolarHBondContact OD2-OG 3.06Å
1011R38.2Very low43Very low249 Ų249109.1 Ų109.194%0.9464%0.641SS**SBendtrans-87.68.8177.5-89.8-173.2172.7-175.7-0.9113.8
1012S42.6Very low45Very low101 Ų101106.5 Ų106.571%0.70662%0.622SS**SBendtrans-102.7-16.8179.8-1720000114.2D1010D1010-S1012 VanDerWaalsContact C-N 3.31Å; D1010-S1012 PolarHBondContact OD1-N 3.09Å
1013S40.2Very low46.6Very low53 Ų53103.6 Ų103.637%0.37160%0.6SS.*SBendtrans-98.2-17.2-173.356.70000115.1D1010 S1016D1010-S1013 VanDerWaalsContact CG-OG 3.26Å; D1010-S1013 VanDerWaalsContact OD2-CB 3.29Å; D1010-S1013 WeakPolarHBondContact OD2-CB 3.5Å; D1010-S1013 PolarHBondContact OD2-OG 3.06Å; S1013-S1016 PolarHBondContact O-OG 3.17Å
1014V44.4Very low48.9Very low100 Ų100105 Ų10561%0.60660%0.595SS**Hα-helixtrans-82.9-23.9-178-176.90000113.2T1018V1014-T1018 PolarHBondContact O-OG1 2.92Å
1015V45Very low51.2Low84 Ų84104.7 Ų104.751%0.50959%0.585SS.*Hα-helixtrans-77.4-31.4178.7-178.90000112T1018V1015-T1018 PolarHBondContact O-OG1 3.24Å; V1015-T1018 VanDerWaalsContact O-OG1 3.13Å
1016S47.4Very low53.6Low71 Ų71100.7 Ų100.750%0.49756%0.556SS.*Hα-helixtrans-71.8-36.9176.471.10000111.8S1013 T1018 Q1019 T1020S1013-S1016 PolarHBondContact O-OG 3.17Å; S1016-T1018 VanDerWaalsContact C-N 3.31Å; S1016-T1018 PolarHBondContact O-N 3.1Å; S1016-Q1019 PolarHBondContact O-N 3.32Å; S1016-T1020 PolarHBondContact O-N 3.45Å; S1016-T1020 VanDerWaalsContact O-N 3.11Å; S1016-T1020 PolarHBondContact O-OG1 3.16Å
1017C49.5Very low56Low92 Ų9294.4 Ų94.462%0.62252%0.524SS*.Hα-helixtrans-65.2-30.6-178.6-1660000113.4S1021C1017-S1021 PolarHBondContact O-N 3.46Å
1018T59.9Low58.2Low75 Ų7594 Ų9446%0.4651%0.514SS..Hα-helixtrans-81.4-36.3178.945.80000112.9V1014 V1015 S1016 S1021 L1022V1014-T1018 PolarHBondContact O-OG1 2.92Å; V1015-T1018 PolarHBondContact O-OG1 3.24Å; V1015-T1018 VanDerWaalsContact O-OG1 3.13Å; S1016-T1018 VanDerWaalsContact C-N 3.31Å; S1016-T1018 PolarHBondContact O-N 3.1Å; T1018-S1021 PolarHBondContact O-N 2.91Å; T1018-L1022 PolarHBondContact O-N 3.13Å; T1018-L1022 VanDerWaalsContact O-N 3.13Å
1019Q62.8Low60.6Low67 Ų6788.9 Ų88.931%0.31349%0.487SS..Hα-helixtrans-69.9-39.7176.5-166.5166.12.300111.7L963 S1016 S1021 L1022 I1023L963-Q1019 PolarHBondContact O-NE2 2.87Å; S1016-Q1019 PolarHBondContact O-N 3.32Å; Q1019-S1021 VanDerWaalsContact C-N 3.33Å; Q1019-S1021 PolarHBondContact O-N 2.56Å; Q1019-L1022 PolarHBondContact O-N 2.99Å; Q1019-I1023 HydrophobicContact CG-CD1 4.13Å; Q1019-I1023 VanDerWaalsContact O-CG1 3.29Å; Q1019-I1023 WeakPolarHBondContact O-CG1 3.42Å; Q1019-I1023 PolarHBondContact O-N 3Å
1020T67.2Low63.1Low64 Ų6482.4 Ų82.439%0.39345%0.451SS..Hα-helixtrans-65-35.5174.8-50.80000112.4S1016 R1024S1016-T1020 PolarHBondContact O-N 3.45Å; S1016-T1020 VanDerWaalsContact O-N 3.11Å; S1016-T1020 PolarHBondContact O-OG1 3.16Å; T1020-R1024 WeakPolarHBondContact O-CG 3.44Å; T1020-R1024 PolarHBondContact O-N 2.7Å
1021S73.3Confident65.3Low73 Ų7378.4 Ų78.451%0.5143%0.431SS..Hα-helixtrans-63.8-45.5173.5176.20000112C1017 T1018 Q1019 R1024 Q1025C1017-S1021 PolarHBondContact O-N 3.46Å; T1018-S1021 PolarHBondContact O-N 2.91Å; Q1019-S1021 VanDerWaalsContact C-N 3.33Å; Q1019-S1021 PolarHBondContact O-N 2.56Å; S1021-R1024 PolarHBondContact O-N 3.37Å; S1021-Q1025 PolarHBondContact O-N 3.44Å
1022L74.7Confident67.5Low69 Ų6972.8 Ų72.836%0.36141%0.409SS..Hα-helixtrans-66.1-42.2-179.4-170.466.6000111.4L963 T1018 Q1019 Q1025 T1026L963-L1022 HydrophobicContact CD2-CD2 3.5Å; L963-L1022 HydrophobicContact CD2-CG 3.83Å; T1018-L1022 PolarHBondContact O-N 3.13Å; T1018-L1022 VanDerWaalsContact O-N 3.13Å; Q1019-L1022 PolarHBondContact O-N 2.99Å; L1022-Q1025 PolarHBondContact O-N 2.95Å; L1022-T1026 PolarHBondContact O-N 3.1Å; L1022-T1026 PolarHBondContact O-OG1 2.84Å; L1022-T1026 VanDerWaalsContact O-OG1 3.1Å
1023I75.5Confident69.6Low47 Ų4770.9 Ų70.924%0.24139%0.391CS..Hα-helixtrans-60.6-46.7175.3-69.2167.7000110.7F960 Q1019 Q1025 T1026 V1027F960-I1023 HydrophobicContact CE2-CG2 3.75Å; F960-I1023 HydrophobicContact CZ-CG2 4.09Å; Q1019-I1023 HydrophobicContact CG-CD1 4.13Å; Q1019-I1023 VanDerWaalsContact O-CG1 3.29Å; Q1019-I1023 WeakPolarHBondContact O-CG1 3.42Å; Q1019-I1023 PolarHBondContact O-N 3Å; I1023-Q1025 VanDerWaalsContact C-N 3.31Å; I1023-Q1025 PolarHBondContact O-N 3.4Å; I1023-T1026 PolarHBondContact O-N 3.37Å; I1023-V1027 HydrophobicContact CG2-CG2 4.23Å; I1023-V1027 WeakPolarHBondContact O-CB 3.28Å; I1023-V1027 VanDerWaalsContact O-CG2 3.27Å; I1023-V1027 WeakPolarHBondContact O-CG2 3.41Å; I1023-V1027 PolarHBondContact O-N 3.47Å
1024R75.9Confident71.8Confident182 Ų18269.8 Ų69.869%0.68738%0.379SS*.Hα-helixtrans-58.8-42176.8-78.6-171.6-124.6-156.8-0.3112.3T1020 S1021 A1028T1020-R1024 WeakPolarHBondContact O-CG 3.44Å; T1020-R1024 PolarHBondContact O-N 2.7Å; S1021-R1024 PolarHBondContact O-N 3.37Å; R1024-A1028 WeakPolarHBondContact O-CB 3.08Å; R1024-A1028 PolarHBondContact O-N 3.21Å
1025Q80.9Confident73.8Confident119 Ų11966 Ų6656%0.55636%0.358SS*.Hα-helixtrans-66.1-42.6178-170.6178.914.600112S1021 L1022 I1023 A1028 L1029S1021-Q1025 PolarHBondContact O-N 3.44Å; L1022-Q1025 PolarHBondContact O-N 2.95Å; I1023-Q1025 VanDerWaalsContact C-N 3.31Å; I1023-Q1025 PolarHBondContact O-N 3.4Å; Q1025-A1028 PolarHBondContact O-N 3.5Å; Q1025-L1029 HydrophobicContact CG-CD1 4.48Å; Q1025-L1029 WeakPolarHBondContact O-CG 3.23Å; Q1025-L1029 PolarHBondContact O-N 3.32Å; Q1025-L1029 VanDerWaalsContact O-N 3.08Å
1026T79.9Confident75.8Confident10 Ų1065.7 Ų65.76%0.06135%0.353CS..Hα-helixtrans-64-44.4176.7-58.10000111.5L963 L1022 I1023 A1028 L1029 Q1030L963-T1026 HydrophobicContact CD1-CG2 3.68Å; L1022-T1026 PolarHBondContact O-N 3.1Å; L1022-T1026 PolarHBondContact O-OG1 2.84Å; L1022-T1026 VanDerWaalsContact O-OG1 3.1Å; I1023-T1026 PolarHBondContact O-N 3.37Å; T1026-A1028 VanDerWaalsContact C-N 3.35Å; T1026-A1028 PolarHBondContact O-N 3.36Å; T1026-L1029 PolarHBondContact O-N 3.46Å; T1026-Q1030 HydrophobicContact CG2-CG 4.31Å; T1026-Q1030 WeakPolarHBondContact O-CB 3.33Å; T1026-Q1030 VanDerWaalsContact O-CG 3.31Å; T1026-Q1030 WeakPolarHBondContact O-CG 3.2Å; T1026-Q1030 PolarHBondContact O-N 3.22Å
1027V80.7Confident77.9Confident35 Ų3563 Ų6321%0.21233%0.333CS..Hα-helixtrans-62.3-41.8177.7170.30000111.4F960 I1023 L1029 Q1030 T1031 T1183F960-V1027 HydrophobicContact CD2-CG2 4.37Å; F960-V1027 HydrophobicContact CE2-CG2 3.9Å; I1023-V1027 HydrophobicContact CG2-CG2 4.23Å; I1023-V1027 WeakPolarHBondContact O-CB 3.28Å; I1023-V1027 VanDerWaalsContact O-CG2 3.27Å; I1023-V1027 WeakPolarHBondContact O-CG2 3.41Å; I1023-V1027 PolarHBondContact O-N 3.47Å; V1027-L1029 PolarHBondContact O-N 3.12Å; V1027-Q1030 PolarHBondContact O-N 3.04Å; V1027-T1031 WeakPolarHBondContact O-CB 3.46Å; V1027-T1031 PolarHBondContact O-N 2.84Å; V1027-T1031 PolarHBondContact O-OG1 3.39Å; V1027-T1183 HydrophobicContact CG1-CG2 3.16Å
1028A80.6Confident79.7Confident61 Ų6159.7 Ų59.750%0.50431%0.309SS..Hα-helixtrans-62.6-41.2176.300000112.4R1024 Q1025 T1026 R1032R1024-A1028 WeakPolarHBondContact O-CB 3.08Å; R1024-A1028 PolarHBondContact O-N 3.21Å; Q1025-A1028 PolarHBondContact O-N 3.5Å; T1026-A1028 VanDerWaalsContact C-N 3.35Å; T1026-A1028 PolarHBondContact O-N 3.36Å; A1028-R1032 PolarHBondContact O-N 2.89Å; A1028-R1032 VanDerWaalsContact O-N 3.13Å
1029L84.3Confident81.1Confident58 Ų5860.8 Ų60.830%0.30431%0.308SS..Hα-helixtrans-65.1-46.5174.9-75.9167.3000111.8Q1025 T1026 V1027 T1031 R1032 D1033Q1025-L1029 HydrophobicContact CG-CD1 4.48Å; Q1025-L1029 WeakPolarHBondContact O-CG 3.23Å; Q1025-L1029 PolarHBondContact O-N 3.32Å; Q1025-L1029 VanDerWaalsContact O-N 3.08Å; T1026-L1029 PolarHBondContact O-N 3.46Å; V1027-L1029 PolarHBondContact O-N 3.12Å; L1029-T1031 VanDerWaalsContact C-N 3.32Å; L1029-T1031 PolarHBondContact O-N 3.42Å; L1029-R1032 PolarHBondContact O-N 3.24Å; L1029-D1033 VanDerWaalsContact O-CG 3.3Å; L1029-D1033 PolarHBondContact O-N 2.72Å
1030Q85.5Confident82.4Confident21 Ų2164.2 Ų64.210%0.09832%0.318CS..Hα-helixtrans-62-39.7178.5-72.3-177.1-14.700112.4Q956 T1026 V1027 D1033 W1034Q956-Q1030 HydrophobicContact CB-CG 4.3Å; Q956-Q1030 HydrophobicContact CG-CB 4.15Å; Q956-Q1030 HydrophobicContact CG-CG 3.8Å; Q956-Q1030 PolarHBondContact NE2-O 3.31Å; Q956-Q1030 PolarHBondContact O-NE2 2.87Å; T1026-Q1030 HydrophobicContact CG2-CG 4.31Å; T1026-Q1030 WeakPolarHBondContact O-CB 3.33Å; T1026-Q1030 VanDerWaalsContact O-CG 3.31Å; T1026-Q1030 WeakPolarHBondContact O-CG 3.2Å; T1026-Q1030 PolarHBondContact O-N 3.22Å; V1027-Q1030 PolarHBondContact O-N 3.04Å; Q1030-D1033 PolarHBondContact O-N 2.84Å; Q1030-W1034 WeakPolarHBondContact O-CB 3.14Å; Q1030-W1034 PolarHBondContact O-N 3.2Å
1031T82.8Confident83.6Confident15 Ų1561.2 Ų61.29%0.09230%0.3CS..Hα-helixtrans-61.6-43.7175.4-60.40000111.5V1027 L1029 S1035 P1181 E1182 T1183V1027-T1031 WeakPolarHBondContact O-CB 3.46Å; V1027-T1031 PolarHBondContact O-N 2.84Å; V1027-T1031 PolarHBondContact O-OG1 3.39Å; L1029-T1031 VanDerWaalsContact C-N 3.32Å; L1029-T1031 PolarHBondContact O-N 3.42Å; T1031-S1035 WeakPolarHBondContact O-CB 3.46Å; T1031-S1035 PolarHBondContact O-N 3.16Å; T1031-S1035 PolarHBondContact O-OG 3.02Å; T1031-P1181 HydrophobicContact CG2-CB 3.93Å; T1031-E1182 WeakPolarHBondContact CG2-O 3.21Å; T1031-T1183 WeakPolarHBondContact OG1-CA 3.48Å; T1031-T1183 VanDerWaalsContact OG1-CG2 3.26Å; T1031-T1183 WeakPolarHBondContact OG1-CG2 3.41Å
1032R85Confident84.5Confident131 Ų13159.4 Ų59.449%0.49428%0.284SS..Hα-helixtrans-64.5-49.4176.7-172.3-171.867.1178.91.2111.3A1028 L1029 W1034 S1035 D1036A1028-R1032 PolarHBondContact O-N 2.89Å; A1028-R1032 VanDerWaalsContact O-N 3.13Å; L1029-R1032 PolarHBondContact O-N 3.24Å; R1032-W1034 VanDerWaalsContact C-N 3.27Å; R1032-W1034 PolarHBondContact O-N 3.43Å; R1032-S1035 PolarHBondContact O-N 2.85Å; R1032-S1035 VanDerWaalsContact O-N 3.16Å; R1032-D1036 WeakPolarHBondContact O-CB 3.45Å; R1032-D1036 PolarHBondContact O-N 3.28Å
1033D85.5Confident85.4Confident61 Ų6159.9 Ų59.933%0.32628%0.284SS..Hα-helixtrans-62.8-36.1-178.2-65.7-8.2000111.7L1029 Q1030 L1037L1029-D1033 VanDerWaalsContact O-CG 3.3Å; L1029-D1033 PolarHBondContact O-N 2.72Å; Q1030-D1033 PolarHBondContact O-N 2.84Å; D1033-L1037 PolarHBondContact O-N 2.79Å; D1033-L1037 VanDerWaalsContact O-N 3.09Å
1034W87.4Confident86.3Confident30 Ų3062.4 Ų62.411%0.11430%0.298CS..Hα-helixtrans-65.2-48.7172.5-177-97.5000111.9R949 M952 Q953 Q1030 R1032 D1036 L1037 V1038 L1184R949-W1034 HydrophobicContact CB-CH2 3.73Å; R949-W1034 HydrophobicContact CB-CZ3 4.11Å; R949-W1034 HydrophobicContact CG-CH2 4.06Å; R949-W1034 HydrophobicContact CG-CZ2 4.45Å; R949-W1034 HydrophobicContact CG-CZ3 4.47Å; R949-W1034 WeakPolarHBondContact O-CZ3 3.48Å; M952-W1034 HydrophobicContact CG-CE3 4.25Å; M952-W1034 HydrophobicContact SD-CE3 3.98Å; Q953-W1034 HydrophobicContact CB-CZ3 4.2Å; Q1030-W1034 WeakPolarHBondContact O-CB 3.14Å; Q1030-W1034 PolarHBondContact O-N 3.2Å; R1032-W1034 VanDerWaalsContact C-N 3.27Å; R1032-W1034 PolarHBondContact O-N 3.43Å; W1034-D1036 VanDerWaalsContact C-N 3.32Å; W1034-D1036 PolarHBondContact O-N 2.92Å; W1034-L1037 WeakPolarHBondContact O-CB 3.15Å; W1034-L1037 PolarHBondContact O-N 2.82Å; W1034-L1037 VanDerWaalsContact O-N 3.13Å; W1034-V1038 WeakPolarHBondContact O-CG2 3.13Å; W1034-V1038 PolarHBondContact O-N 2.72Å; W1034-L1184 HydrophobicContact CD2-CD1 4.27Å; W1034-L1184 HydrophobicContact CE3-CD1 4.06Å; W1034-L1184 HydrophobicContact CH2-CD1 4.15Å; W1034-L1184 HydrophobicContact CZ2-CD1 4.37Å; W1034-L1184 HydrophobicContact CZ3-CD1 3.99Å
1035S85.4Confident87.1Confident22 Ų2255 Ų5515%0.15427%0.271CS..Hα-helixtrans-59.9-43179.1-57.10000111.5T1031 R1032 L1037 V1038 K1039T1031-S1035 WeakPolarHBondContact O-CB 3.46Å; T1031-S1035 PolarHBondContact O-N 3.16Å; T1031-S1035 PolarHBondContact O-OG 3.02Å; R1032-S1035 PolarHBondContact O-N 2.85Å; R1032-S1035 VanDerWaalsContact O-N 3.16Å; S1035-L1037 VanDerWaalsContact C-N 3.33Å; S1035-L1037 PolarHBondContact O-N 3.22Å; S1035-V1038 PolarHBondContact O-N 2.93Å; S1035-K1039 WeakPolarHBondContact O-CB 3.47Å; S1035-K1039 PolarHBondContact O-N 3.31Å
1036D87.6Confident87.8Confident77 Ų7750.5 Ų50.541%0.41225%0.25SC..Hα-helixtrans-67.1-31176.9-71.4-18.3000112.7R1032 W1034 R1040R1032-D1036 WeakPolarHBondContact O-CB 3.45Å; R1032-D1036 PolarHBondContact O-N 3.28Å; W1034-D1036 VanDerWaalsContact C-N 3.32Å; W1034-D1036 PolarHBondContact O-N 2.92Å; D1036-R1040 WeakPolarHBondContact O-CG 3.4Å; D1036-R1040 PolarHBondContact O-N 3.26Å; D1036-R1040 PolarHBondContact O-NE 3.01Å
1037L90.6Very high88.4Confident14 Ų1453.6 Ų53.67%0.07327%0.272CS..Hα-helixtrans-69-49.8172.3177.866.5000110.9R949 M952 D1033 W1034 S1035 K1039 R1040 Q1041R949-L1037 HydrophobicContact CG-CD2 4.1Å; M952-L1037 HydrophobicContact CB-CD2 4.28Å; M952-L1037 HydrophobicContact CE-CB 4.03Å; M952-L1037 HydrophobicContact CE-CD2 3.82Å; M952-L1037 HydrophobicContact CE-CG 4.38Å; M952-L1037 HydrophobicContact SD-CB 4.16Å; M952-L1037 HydrophobicContact SD-CD2 3.7Å; D1033-L1037 PolarHBondContact O-N 2.79Å; D1033-L1037 VanDerWaalsContact O-N 3.09Å; W1034-L1037 WeakPolarHBondContact O-CB 3.15Å; W1034-L1037 PolarHBondContact O-N 2.82Å; W1034-L1037 VanDerWaalsContact O-N 3.13Å; S1035-L1037 VanDerWaalsContact C-N 3.33Å; S1035-L1037 PolarHBondContact O-N 3.22Å; L1037-K1039 VanDerWaalsContact C-N 3.33Å; L1037-K1039 PolarHBondContact O-N 3.33Å; L1037-R1040 PolarHBondContact O-N 3.32Å; L1037-Q1041 HydrophobicContact CD1-CG 4.33Å; L1037-Q1041 VanDerWaalsContact O-CG 3.3Å; L1037-Q1041 WeakPolarHBondContact O-CG 3.38Å; L1037-Q1041 PolarHBondContact O-N 3.01Å
1038V88.7Confident89.1Confident22 Ų2254 Ų5413%0.13327%0.273CS..Hα-helixtrans-61.3-43.5-178.3173.30000110.8W1034 S1035 Q1041 L1042W1034-V1038 WeakPolarHBondContact O-CG2 3.13Å; W1034-V1038 PolarHBondContact O-N 2.72Å; S1035-V1038 PolarHBondContact O-N 2.93Å; V1038-Q1041 PolarHBondContact O-N 3.17Å; V1038-L1042 PolarHBondContact O-N 3.48Å
1039K88Confident89.8Confident98 Ų9854.3 Ų54.343%0.42626%0.261SS..Hα-helixtrans-60.5-47.7177.2-172.9178.5177.7-178.90112.6S1035 L1037 Q1041 L1042 E1043 L1176S1035-K1039 WeakPolarHBondContact O-CB 3.47Å; S1035-K1039 PolarHBondContact O-N 3.31Å; L1037-K1039 VanDerWaalsContact C-N 3.33Å; L1037-K1039 PolarHBondContact O-N 3.33Å; K1039-Q1041 VanDerWaalsContact C-N 3.28Å; K1039-Q1041 PolarHBondContact O-N 3.23Å; K1039-L1042 WeakPolarHBondContact O-CB 3.49Å; K1039-L1042 PolarHBondContact O-N 2.83Å; K1039-E1043 WeakPolarHBondContact CE-OE1 3.43Å; K1039-E1043 PolarHBondContact O-N 3.21Å; K1039-L1176 HydrophobicContact CG-CD2 4.14Å
1040R91.1Very high90.3Very high139 Ų13954.9 Ų54.953%0.52526%0.261SS..Hα-helixtrans-61.2-37.1176.2-77.6-177.2-68.4163.8-4112.7D1036 L1037 L1044D1036-R1040 WeakPolarHBondContact O-CG 3.4Å; D1036-R1040 PolarHBondContact O-N 3.26Å; D1036-R1040 PolarHBondContact O-NE 3.01Å; L1037-R1040 PolarHBondContact O-N 3.32Å; R1040-L1044 VanDerWaalsContact O-CG 3.31Å; R1040-L1044 WeakPolarHBondContact O-CG 3.42Å; R1040-L1044 PolarHBondContact O-N 3.42Å; R1040-L1044 VanDerWaalsContact O-N 3.08Å
1041Q93.4Very high90.7Very high2 Ų255.7 Ų55.71%0.00927%0.271CS..Hα-helixtrans-67.8-39.1177.2-73.5-177.5-11.500111.8H945 R949 L1037 V1038 K1039 L1044 E1045H945-Q1041 VanDerWaalsContact CA-NE2 3.33Å; H945-Q1041 HydrophobicContact CB-CG 4.14Å; H945-Q1041 PolarHBondContact CE1-O 2.86Å; H945-Q1041 VanDerWaalsContact CE1-O 3.25Å; H945-Q1041 WeakPolarHBondContact ND1-CB 3.39Å; H945-Q1041 PolarHBondContact O-NE2 3.44Å; H945-Q1041 VanDerWaalsContact O-NE2 3.15Å; R949-Q1041 VanDerWaalsContact CZ-OE1 3.25Å; L1037-Q1041 HydrophobicContact CD1-CG 4.33Å; L1037-Q1041 VanDerWaalsContact O-CG 3.3Å; L1037-Q1041 WeakPolarHBondContact O-CG 3.38Å; L1037-Q1041 PolarHBondContact O-N 3.01Å; V1038-Q1041 PolarHBondContact O-N 3.17Å; K1039-Q1041 VanDerWaalsContact C-N 3.28Å; K1039-Q1041 PolarHBondContact O-N 3.23Å; Q1041-L1044 PolarHBondContact O-N 3.03Å; Q1041-E1045 WeakPolarHBondContact O-CB 3.43Å; Q1041-E1045 WeakPolarHBondContact O-CG 3.44Å; Q1041-E1045 PolarHBondContact O-N 3.21Å
1042L91.9Very high91.4Very high34 Ų3455.2 Ų55.218%0.17827%0.268CS..Hα-helixtrans-63.5-45.3174.9-172.968.8000111.6V1038 K1039 L1044 E1045 H1046 Y1172 A1175 L1176 V1179V1038-L1042 PolarHBondContact O-N 3.48Å; K1039-L1042 WeakPolarHBondContact O-CB 3.49Å; K1039-L1042 PolarHBondContact O-N 2.83Å; L1042-L1044 PolarHBondContact O-N 3.28Å; L1042-E1045 PolarHBondContact O-N 2.8Å; L1042-H1046 WeakPolarHBondContact O-CB 3.3Å; L1042-H1046 PolarHBondContact O-N 3.29Å; L1042-Y1172 HydrophobicContact CD2-CD2 4.24Å; L1042-Y1172 HydrophobicContact CD2-CE2 4.13Å; L1042-Y1172 HydrophobicContact CG-CD2 3.92Å; L1042-Y1172 HydrophobicContact CG-CE2 3.88Å; L1042-A1175 HydrophobicContact CD1-CB 3.64Å; L1042-A1175 HydrophobicContact CD2-CB 3.66Å; L1042-A1175 HydrophobicContact CG-CB 4.24Å; L1042-L1176 HydrophobicContact CD2-CD2 3.99Å; L1042-L1176 HydrophobicContact CD2-CG 3.96Å; L1042-V1179 HydrophobicContact CD2-CG2 4.35Å
1043E93Very high91.8Very high80 Ų8049.9 Ų49.937%0.37425%0.249SC..Hα-helixtrans-56-45.8174.2-81.1166.7-164.900112.4K1039 S1047 Y1172K1039-E1043 WeakPolarHBondContact CE-OE1 3.43Å; K1039-E1043 PolarHBondContact O-N 3.21Å; E1043-S1047 WeakPolarHBondContact O-CB 3.5Å; E1043-S1047 PolarHBondContact O-N 2.92Å; E1043-Y1172 HydrophobicContact CG-CE2 4.3Å; E1043-Y1172 WeakPolarHBondContact CG-OH 3.41Å
1044L94.1Very high92.2Very high99 Ų9951.9 Ų51.952%0.51826%0.256SS..Hα-helixtrans-68.5-39.1178.8-71.5172.7000112.8R1040 Q1041 L1042 L1048R1040-L1044 VanDerWaalsContact O-CG 3.31Å; R1040-L1044 WeakPolarHBondContact O-CG 3.42Å; R1040-L1044 PolarHBondContact O-N 3.42Å; R1040-L1044 VanDerWaalsContact O-N 3.08Å; Q1041-L1044 PolarHBondContact O-N 3.03Å; L1042-L1044 PolarHBondContact O-N 3.28Å; L1044-L1048 WeakPolarHBondContact O-CB 3.24Å; L1044-L1048 PolarHBondContact O-N 2.79Å; L1044-L1048 VanDerWaalsContact O-N 3.09Å
1045E93.9Very high92.6Very high26 Ų2655 Ų5512%0.12127%0.272CS..Hα-helixtrans-64.6-44.5176.5-77.8179.3-149.100111.4Y938 L941 K942 H945 Q1041 L1042 L1048 R1049Y938-E1045 HydrophobicContact CE2-CB 4.24Å; Y938-E1045 HydrophobicContact CE2-CG 4.39Å; Y938-E1045 PolarHBondContact OH-OE2 3.08Å; L941-E1045 HydrophobicContact CD2-CG 3.93Å; K942-E1045 WeakPolarHBondContact CE-OE2 3.29Å; K942-E1045 IonicContact NZ-OE2 3.83Å; H945-E1045 IonicContact CE1-OE1 3.8Å; H945-E1045 IonicContact CG-OE1 3.77Å; H945-E1045 IonicContact ND1-OE1 3.26Å; H945-E1045 PolarHBondContact ND1-OE1 3.34Å; Q1041-E1045 WeakPolarHBondContact O-CB 3.43Å; Q1041-E1045 WeakPolarHBondContact O-CG 3.44Å; Q1041-E1045 PolarHBondContact O-N 3.21Å; L1042-E1045 PolarHBondContact O-N 2.8Å; E1045-L1048 PolarHBondContact O-N 3.37Å; E1045-R1049 PolarHBondContact O-N 2.96Å
1046H93.5Very high93Very high25 Ų2554.2 Ų54.212%0.11627%0.266CS..Hα-helixtrans-64.3-47.7176.517459.9000112L1042 L1048 R1049 K1050 E1168 Y1172L1042-H1046 WeakPolarHBondContact O-CB 3.3Å; L1042-H1046 PolarHBondContact O-N 3.29Å; H1046-L1048 VanDerWaalsContact C-N 3.27Å; H1046-L1048 PolarHBondContact O-N 3.09Å; H1046-R1049 PolarHBondContact O-N 3.13Å; H1046-R1049 VanDerWaalsContact O-N 3.1Å; H1046-K1050 WeakPolarHBondContact O-CB 3.39Å; H1046-K1050 PolarHBondContact O-N 2.85Å; H1046-E1168 IonicContact ND1-OE1 2.67Å; H1046-E1168 PolarHBondContact ND1-OE1 2.97Å; H1046-Y1172 HydrophobicContact CB-CD2 3.38Å; H1046-Y1172 HydrophobicContact CB-CE2 3.92Å; H1046-Y1172 HydrophobicContact CB-CG 3.73Å; H1046-Y1172 AromaticContact CD2-CD1 3.49Å; H1046-Y1172 VanDerWaalsContact CD2-CD1 3.49Å; H1046-Y1172 WeakPolarHBondContact CD2-CD1 3.42Å; H1046-Y1172 AromaticContact CD2-CD2 3.95Å; H1046-Y1172 AromaticContact CD2-CE1 3.9Å; H1046-Y1172 AromaticContact CD2-CG 3.51Å; H1046-Y1172 AromaticContact CG-CD1 3.87Å; H1046-Y1172 AromaticContact CG-CD2 3.61Å; H1046-Y1172 AromaticContact CG-CG 3.37Å; H1046-Y1172 WeakPolarHBondContact ND1-CB 3.46Å; H1046-Y1172 AromaticContact ND1-CG 3.77Å; H1046-Y1172 AromaticContact NE2-CD1 3.77Å; H1046-Y1172 AromaticContact NE2-CG 3.99Å
1047S94.4Very high93.3Very high75 Ų7551.9 Ų51.952%0.52425%0.252SS..Hα-helixtrans-58.9-39.4178.5177.10000112.2E1043 A1051E1043-S1047 WeakPolarHBondContact O-CB 3.5Å; E1043-S1047 PolarHBondContact O-N 2.92Å; S1047-A1051 PolarHBondContact O-N 3.1Å
1048L95.2Very high93.5Very high45 Ų4554.1 Ų54.124%0.23627%0.272CS..Hα-helixtrans-67.1-42.8175.9-17763.9000111.4Y938 L941 L1044 E1045 H1046 A1051 H1052Y938-L1048 HydrophobicContact CD2-CD2 4.27Å; L941-L1048 HydrophobicContact CB-CD2 4.21Å; L941-L1048 HydrophobicContact CD2-CB 4.27Å; L941-L1048 HydrophobicContact CD2-CD2 3.69Å; L1044-L1048 WeakPolarHBondContact O-CB 3.24Å; L1044-L1048 PolarHBondContact O-N 2.79Å; L1044-L1048 VanDerWaalsContact O-N 3.09Å; E1045-L1048 PolarHBondContact O-N 3.37Å; H1046-L1048 VanDerWaalsContact C-N 3.27Å; H1046-L1048 PolarHBondContact O-N 3.09Å; L1048-A1051 PolarHBondContact O-N 3.17Å; L1048-H1052 VanDerWaalsContact O-CG 3.29Å; L1048-H1052 PolarHBondContact O-N 3.46Å
1049R94.4Very high93.7Very high67 Ų6754.8 Ų54.825%0.25328%0.275SS..Hα-helixtrans-68.9-40-177.6-162.368.3-168.5138.76.9112.2E1045 H1046 A1051 H1052 L1053 E1168E1045-R1049 PolarHBondContact O-N 2.96Å; H1046-R1049 PolarHBondContact O-N 3.13Å; H1046-R1049 VanDerWaalsContact O-N 3.1Å; R1049-A1051 PolarHBondContact O-N 2.86Å; R1049-H1052 WeakPolarHBondContact O-CB 3.43Å; R1049-H1052 PolarHBondContact O-N 3.45Å; R1049-L1053 WeakPolarHBondContact O-CG 3.46Å; R1049-L1053 PolarHBondContact O-N 2.88Å; R1049-E1168 HydrophobicContact CB-CG 4.45Å; R1049-E1168 HydrophobicContact CG-CG 4.37Å; R1049-E1168 WeakPolarHBondContact CG-OE2 3.46Å
1050K94.1Very high94Very high70 Ų7050.1 Ų50.130%0.30425%0.254SS..Hα-helixtrans-57.2-48.4172.2-173.2169.6-177.2161.10111.6H1046 H1052 L1053 E1054 L1165H1046-K1050 WeakPolarHBondContact O-CB 3.39Å; H1046-K1050 PolarHBondContact O-N 2.85Å; K1050-H1052 VanDerWaalsContact C-N 3.35Å; K1050-H1052 PolarHBondContact O-N 3.36Å; K1050-L1053 PolarHBondContact O-N 3.38Å; K1050-E1054 WeakPolarHBondContact O-CG 3.48Å; K1050-E1054 PolarHBondContact O-N 2.98Å; K1050-L1165 HydrophobicContact CG-CD2 3.95Å
1051A95.2Very high94.1Very high38 Ų3846.3 Ų46.331%0.31424%0.242SC..Hα-helixtrans-61.7-40.5176.100000112.6S1047 L1048 R1049 L1053 E1054 E1055S1047-A1051 PolarHBondContact O-N 3.1Å; L1048-A1051 PolarHBondContact O-N 3.17Å; R1049-A1051 PolarHBondContact O-N 2.86Å; A1051-L1053 PolarHBondContact O-N 3.39Å; A1051-E1054 PolarHBondContact O-N 3.18Å; A1051-E1055 PolarHBondContact O-N 3.44Å
1052H96.5Very high94.1Very high4 Ų453.5 Ų53.52%0.01927%0.273CS..Hα-helixtrans-61.9-41.5175.6-72.6173.4000112.5H934 E937 L1048 R1049 K1050 E1055 E1056H934-H1052 HydrophobicContact CB-CB 4.27Å; H934-H1052 WeakPolarHBondContact CB-ND1 3.39Å; H934-H1052 AromaticContact CD2-CD2 3.21Å; H934-H1052 PolarHBondContact CD2-CD2 3.14Å; H934-H1052 AromaticContact CD2-CG 3.73Å; H934-H1052 AromaticContact CD2-NE2 3.43Å; H934-H1052 PolarHBondContact CD2-NE2 2.85Å; H934-H1052 AromaticContact CE1-CD2 3.88Å; H934-H1052 PolarHBondContact CE1-O 3.25Å; H934-H1052 AromaticContact CG-CD2 3.48Å; H934-H1052 VanDerWaalsContact CG-CD2 3.48Å; H934-H1052 AromaticContact CG-CE1 3.96Å; H934-H1052 AromaticContact CG-CG 3.47Å; H934-H1052 VanDerWaalsContact CG-CG 3.47Å; H934-H1052 AromaticContact CG-ND1 3.79Å; H934-H1052 AromaticContact CG-NE2 3.78Å; H934-H1052 AromaticContact ND1-CD2 3.89Å; H934-H1052 AromaticContact ND1-CG 3.7Å; H934-H1052 AromaticContact NE2-CD2 3.54Å; H934-H1052 PolarHBondContact O-CE1 3.38Å; E937-H1052 IonicContact OE2-CD2 3.01Å; E937-H1052 IonicContact OE2-CE1 2.61Å; E937-H1052 IonicContact OE2-NE2 3.24Å; E937-H1052 PolarHBondContact OE2-NE2 3.25Å; L1048-H1052 VanDerWaalsContact O-CG 3.29Å; L1048-H1052 PolarHBondContact O-N 3.46Å; R1049-H1052 WeakPolarHBondContact O-CB 3.43Å; R1049-H1052 PolarHBondContact O-N 3.45Å; K1050-H1052 VanDerWaalsContact C-N 3.35Å; K1050-H1052 PolarHBondContact O-N 3.36Å; H1052-E1055 PolarHBondContact O-N 3.12Å; H1052-E1056 WeakPolarHBondContact O-CB 3.49Å; H1052-E1056 VanDerWaalsContact O-CG 3.26Å; H1052-E1056 WeakPolarHBondContact O-CG 3.37Å; H1052-E1056 PolarHBondContact O-N 2.84Å
1053L94Very high94.2Very high20 Ų2052.6 Ų52.611%0.10527%0.268CS..Hα-helixtrans-66.1-44177.5-72.9172000111.7R1049 K1050 A1051 E1055 E1056 W1057 L1165 E1168R1049-L1053 WeakPolarHBondContact O-CG 3.46Å; R1049-L1053 PolarHBondContact O-N 2.88Å; K1050-L1053 PolarHBondContact O-N 3.38Å; A1051-L1053 PolarHBondContact O-N 3.39Å; L1053-E1055 VanDerWaalsContact C-N 3.34Å; L1053-E1055 PolarHBondContact O-N 3.08Å; L1053-E1056 PolarHBondContact O-N 2.98Å; L1053-W1057 VanDerWaalsContact O-CD1 3.24Å; L1053-W1057 PolarHBondContact O-N 2.97Å; L1053-L1165 HydrophobicContact CB-CD2 4.03Å; L1053-E1168 HydrophobicContact CD1-CB 3.74Å; L1053-E1168 HydrophobicContact CD1-CG 3.99Å
1054E94.7Very high94.1Very high102 Ų10249 Ų4948%0.47725%0.252SS..Hα-helixtrans-59.3-43.8176.1-71175.7-179.100111.5K1050 A1051 A1058 L1165K1050-E1054 WeakPolarHBondContact O-CG 3.48Å; K1050-E1054 PolarHBondContact O-N 2.98Å; A1051-E1054 PolarHBondContact O-N 3.18Å; E1054-A1058 WeakPolarHBondContact O-CB 3.38Å; E1054-A1058 PolarHBondContact O-N 2.95Å; E1054-L1165 HydrophobicContact CG-CD1 4.24Å; E1054-L1165 HydrophobicContact CG-CD2 3.88Å
1055E94.9Very high94Very high95 Ų9548.1 Ų48.144%0.44425%0.247SC..Hα-helixtrans-65.8-41.8175.8-75.7-171.3-162.200112.7L930 H934 A1051 H1052 L1053 L1059L930-E1055 HydrophobicContact CD2-CB 4.47Å; H934-E1055 IonicContact CE1-OE2 3.69Å; H934-E1055 IonicContact NE2-OE2 2.89Å; H934-E1055 PolarHBondContact NE2-OE2 3.19Å; A1051-E1055 PolarHBondContact O-N 3.44Å; H1052-E1055 PolarHBondContact O-N 3.12Å; L1053-E1055 VanDerWaalsContact C-N 3.34Å; L1053-E1055 PolarHBondContact O-N 3.08Å; E1055-L1059 PolarHBondContact O-N 3.2Å; E1055-L1059 VanDerWaalsContact O-N 3.08Å
1056E94.1Very high93.9Very high6 Ų651.2 Ų51.23%0.02826%0.257CS..Hα-helixtrans-62.7-49.1178.6-80171.1-173.100111.3Y927 L930 H934 H1052 L1053 L1059 V1060Y927-E1056 HydrophobicContact CE2-CB 3.98Å; Y927-E1056 HydrophobicContact CE2-CG 4.22Å; L930-E1056 HydrophobicContact CD2-CG 4.17Å; H934-E1056 IonicContact CE1-OE1 2.72Å; H934-E1056 IonicContact CG-OE1 3.37Å; H934-E1056 IonicContact ND1-OE1 3.51Å; H934-E1056 PolarHBondContact ND1-OE1 3.25Å; H1052-E1056 WeakPolarHBondContact O-CB 3.49Å; H1052-E1056 VanDerWaalsContact O-CG 3.26Å; H1052-E1056 WeakPolarHBondContact O-CG 3.37Å; H1052-E1056 PolarHBondContact O-N 2.84Å; L1053-E1056 PolarHBondContact O-N 2.98Å; E1056-L1059 WeakPolarHBondContact O-CB 3.34Å; E1056-L1059 PolarHBondContact O-N 3.41Å; E1056-V1060 WeakPolarHBondContact O-CG2 3.38Å; E1056-V1060 PolarHBondContact O-N 2.91Å
1057W94.1Very high93.7Very high28 Ų2851.2 Ų51.211%0.10626%0.258CS..Hα-helixtrans-71.2-34180-76.2111.6000113.1I918 L1053 L1059 V1060 K1061 V1157 E1160 A1161 A1164I918-W1057 HydrophobicContact CD1-CH2 4.5Å; I918-W1057 HydrophobicContact CD1-CZ3 4.39Å; I918-W1057 HydrophobicContact CG2-CH2 4.25Å; I918-W1057 HydrophobicContact CG2-CZ3 4.24Å; L1053-W1057 VanDerWaalsContact O-CD1 3.24Å; L1053-W1057 PolarHBondContact O-N 2.97Å; W1057-L1059 VanDerWaalsContact C-N 3.27Å; W1057-L1059 PolarHBondContact O-N 3.36Å; W1057-V1060 HydrophobicContact CE3-CB 4.18Å; W1057-V1060 HydrophobicContact CE3-CG1 4.17Å; W1057-V1060 HydrophobicContact CE3-CG2 4.43Å; W1057-V1060 HydrophobicContact CZ3-CG1 4.22Å; W1057-V1060 PolarHBondContact O-N 2.81Å; W1057-K1061 WeakPolarHBondContact O-CG 3.29Å; W1057-K1061 PolarHBondContact O-N 3.47Å; W1057-V1157 HydrophobicContact CE3-CG1 4.07Å; W1057-V1157 HydrophobicContact CZ3-CG1 4.13Å; W1057-E1160 HydrophobicContact CH2-CB 3.68Å; W1057-E1160 HydrophobicContact CZ2-CB 4.23Å; W1057-E1160 HydrophobicContact CZ3-CB 4.23Å; W1057-A1161 HydrophobicContact CB-CB 3.77Å; W1057-A1161 HydrophobicContact CD2-CB 3.64Å; W1057-A1161 HydrophobicContact CE3-CB 3.94Å; W1057-A1161 HydrophobicContact CG-CB 3.56Å; W1057-A1164 HydrophobicContact CZ2-CB 4.29Å
1058A93.7Very high93.6Very high61 Ų6148.2 Ų48.250%0.50424%0.235SC..Hα-helixtrans-60.8-38.2170.500000111.8E1054 K1062E1054-A1058 WeakPolarHBondContact O-CB 3.38Å; E1054-A1058 PolarHBondContact O-N 2.95Å; A1058-K1062 PolarHBondContact O-N 3Å; A1058-K1062 VanDerWaalsContact O-N 3.14Å
1059L94.2Very high93.3Very high36 Ų3652 Ų5219%0.18825%0.252CS..Hα-helixtrans-69.2-41.4175.4-178.259.7000112A926 Y927 L930 E1055 E1056 W1057 K1062 L1063A926-L1059 HydrophobicContact CB-CD2 4.38Å; Y927-L1059 HydrophobicContact CD2-CD2 4.45Å; L930-L1059 HydrophobicContact CB-CD2 4.08Å; L930-L1059 HydrophobicContact CD2-CB 4.2Å; L930-L1059 HydrophobicContact CD2-CD2 3.66Å; E1055-L1059 PolarHBondContact O-N 3.2Å; E1055-L1059 VanDerWaalsContact O-N 3.08Å; E1056-L1059 WeakPolarHBondContact O-CB 3.34Å; E1056-L1059 PolarHBondContact O-N 3.41Å; W1057-L1059 VanDerWaalsContact C-N 3.27Å; W1057-L1059 PolarHBondContact O-N 3.36Å; L1059-K1062 PolarHBondContact O-N 3.42Å; L1059-L1063 HydrophobicContact CD1-CD1 4.26Å; L1059-L1063 HydrophobicContact CD1-CG 4.14Å; L1059-L1063 HydrophobicContact CG-CD1 3.97Å; L1059-L1063 HydrophobicContact CG-CG 4.32Å; L1059-L1063 WeakPolarHBondContact O-CG 3.25Å; L1059-L1063 PolarHBondContact O-N 3.1Å
1060V93.2Very high93.1Very high0 Ų053.5 Ų53.50%026%0.262CS..Hα-helixtrans-58.1-49.1175.1171.70000110.6V921 Q922 Y927 E1056 W1057 K1062 L1063 L1064 V1157V921-V1060 HydrophobicContact CG1-CB 4.48Å; V921-V1060 HydrophobicContact CG1-CG1 4.02Å; Q922-V1060 HydrophobicContact CG-CG2 4.47Å; Y927-V1060 HydrophobicContact CD2-CG2 3.76Å; Y927-V1060 HydrophobicContact CE2-CG2 3.55Å; E1056-V1060 WeakPolarHBondContact O-CG2 3.38Å; E1056-V1060 PolarHBondContact O-N 2.91Å; W1057-V1060 HydrophobicContact CE3-CB 4.18Å; W1057-V1060 HydrophobicContact CE3-CG1 4.17Å; W1057-V1060 HydrophobicContact CE3-CG2 4.43Å; W1057-V1060 HydrophobicContact CZ3-CG1 4.22Å; W1057-V1060 PolarHBondContact O-N 2.81Å; V1060-K1062 VanDerWaalsContact C-N 3.3Å; V1060-K1062 PolarHBondContact O-N 3.04Å; V1060-L1063 PolarHBondContact O-N 2.89Å; V1060-L1064 WeakPolarHBondContact O-CB 3.19Å; V1060-L1064 PolarHBondContact O-N 3.3Å; V1060-V1157 HydrophobicContact CG1-CG1 3.99Å; V1060-V1157 HydrophobicContact CG1-CG2 4.46Å
1061K93.2Very high92.8Very high60 Ų6051.8 Ų51.826%0.26126%0.255SS..Hα-helixtrans-54.9-46175.4-71.2-177.4-174.8-167.60111.5W1057 L1064 I1065 V1157 E1158W1057-K1061 WeakPolarHBondContact O-CG 3.29Å; W1057-K1061 PolarHBondContact O-N 3.47Å; K1061-L1064 PolarHBondContact O-N 3.34Å; K1061-I1065 VanDerWaalsContact O-CG1 3.31Å; K1061-I1065 WeakPolarHBondContact O-CG1 3.09Å; K1061-I1065 PolarHBondContact O-N 2.98Å; K1061-V1157 HydrophobicContact CG-CG1 3.73Å; K1061-E1158 IonicContact NZ-OE1 2.73Å; K1061-E1158 PolarHBondContact NZ-OE1 3.24Å
1062K93.8Very high92.4Very high152 Ų15255 Ų5566%0.66126%0.259SS*.Hα-helixtrans-64.6-41.3179.4-172.8176.7-178.8176.90112.9A1058 L1059 V1060 R1066A1058-K1062 PolarHBondContact O-N 3Å; A1058-K1062 VanDerWaalsContact O-N 3.14Å; L1059-K1062 PolarHBondContact O-N 3.42Å; V1060-K1062 VanDerWaalsContact C-N 3.3Å; V1060-K1062 PolarHBondContact O-N 3.04Å; K1062-R1066 PolarHBondContact O-N 3.23Å
1063L93.2Very high92.1Very high15 Ų1557.8 Ų57.88%0.07928%0.282CS..Hα-helixtrans-68.2-40.6177.9-71.6171.1000111.2V921 E924 A926 L1059 V1060 I1065 R1066 I1067V921-L1063 HydrophobicContact CG1-CB 3.52Å; V921-L1063 HydrophobicContact CG1-CD1 4.1Å; V921-L1063 HydrophobicContact CG1-CG 4.48Å; E924-L1063 HydrophobicContact CB-CD1 3.87Å; E924-L1063 HydrophobicContact CB-CD2 4.41Å; E924-L1063 HydrophobicContact CG-CD1 4.37Å; E924-L1063 HydrophobicContact CG-CD2 4.46Å; A926-L1063 HydrophobicContact CB-CD2 4.41Å; L1059-L1063 HydrophobicContact CD1-CD1 4.26Å; L1059-L1063 HydrophobicContact CD1-CG 4.14Å; L1059-L1063 HydrophobicContact CG-CD1 3.97Å; L1059-L1063 HydrophobicContact CG-CG 4.32Å; L1059-L1063 WeakPolarHBondContact O-CG 3.25Å; L1059-L1063 PolarHBondContact O-N 3.1Å; V1060-L1063 PolarHBondContact O-N 2.89Å; L1063-I1065 PolarHBondContact O-N 3.32Å; L1063-R1066 WeakPolarHBondContact O-CB 3.13Å; L1063-R1066 PolarHBondContact O-N 3.1Å; L1063-I1067 WeakPolarHBondContact O-CG1 3.34Å; L1063-I1067 PolarHBondContact O-N 3.08Å
1064L92.2Very high91.7Very high5 Ų559.8 Ų59.83%0.02630%0.298CS..Hα-helixtrans-62-43.9176.7-175.362000111.6V916 V921 V1060 K1061 R1066 I1067 H1068 Q1153 M1154 V1157V916-L1064 HydrophobicContact CB-CD1 4.4Å; V916-L1064 HydrophobicContact CG1-CD1 4.02Å; V921-L1064 HydrophobicContact CG2-CD1 4.17Å; V1060-L1064 WeakPolarHBondContact O-CB 3.19Å; V1060-L1064 PolarHBondContact O-N 3.3Å; K1061-L1064 PolarHBondContact O-N 3.34Å; L1064-R1066 VanDerWaalsContact C-N 3.27Å; L1064-R1066 PolarHBondContact O-N 3.41Å; L1064-I1067 PolarHBondContact O-N 2.96Å; L1064-I1067 VanDerWaalsContact O-N 3.14Å; L1064-H1068 WeakPolarHBondContact CD1-NE2 3.4Å; L1064-H1068 WeakPolarHBondContact O-CB 3.45Å; L1064-H1068 VanDerWaalsContact O-CG 3.3Å; L1064-H1068 PolarHBondContact O-N 3.11Å; L1064-Q1153 HydrophobicContact CD2-CB 4.42Å; L1064-M1154 HydrophobicContact CB-CE 4.49Å; L1064-M1154 HydrophobicContact CD2-CE 3.93Å; L1064-M1154 HydrophobicContact CD2-SD 4.38Å; L1064-M1154 HydrophobicContact CG-CE 4.18Å; L1064-V1157 HydrophobicContact CD2-CG2 3.74Å
1065I92Very high91.2Very high81 Ų8155.9 Ų55.942%0.41528%0.28SS..Hα-helixtrans-56.8-41.8174.7-68.8166.9000111.4K1061 L1063 H1068 Q1069 M1154K1061-I1065 VanDerWaalsContact O-CG1 3.31Å; K1061-I1065 WeakPolarHBondContact O-CG1 3.09Å; K1061-I1065 PolarHBondContact O-N 2.98Å; L1063-I1065 PolarHBondContact O-N 3.32Å; I1065-H1068 PolarHBondContact O-N 3.33Å; I1065-Q1069 WeakPolarHBondContact O-CG 3.25Å; I1065-Q1069 PolarHBondContact O-N 3.42Å; I1065-M1154 HydrophobicContact CD1-CE 4.47Å; I1065-M1154 HydrophobicContact CG1-CE 3.66Å
1066R91.7Very high90.8Very high91 Ų9156.8 Ų56.834%0.34328%0.283SS..Hα-helixtrans-63.4-46.1177.1-178.2-177.464.198.7-3.9111.2E924 K1062 L1063 L1064 H1068 Q1069 E1070E924-R1066 VanDerWaalsContact CD-NH2 3.26Å; E924-R1066 IonicContact OE1-CZ 3.05Å; E924-R1066 IonicContact OE1-NH2 3.64Å; E924-R1066 PolarHBondContact OE1-NH2 3.11Å; E924-R1066 IonicContact OE2-NH2 2.97Å; K1062-R1066 PolarHBondContact O-N 3.23Å; L1063-R1066 WeakPolarHBondContact O-CB 3.13Å; L1063-R1066 PolarHBondContact O-N 3.1Å; L1064-R1066 VanDerWaalsContact C-N 3.27Å; L1064-R1066 PolarHBondContact O-N 3.41Å; R1066-H1068 VanDerWaalsContact C-N 3.31Å; R1066-H1068 PolarHBondContact O-N 3.44Å; R1066-Q1069 WeakPolarHBondContact O-CB 3.39Å; R1066-Q1069 PolarHBondContact O-N 2.92Å; R1066-Q1069 VanDerWaalsContact O-N 3.17Å; R1066-E1070 IonicContact CZ-OE1 2.63Å; R1066-E1070 IonicContact NH1-OE1 3.4Å; R1066-E1070 PolarHBondContact NH1-OE1 3.35Å; R1066-E1070 IonicContact NH1-OE2 3.48Å; R1066-E1070 WeakPolarHBondContact O-CG 3.36Å; R1066-E1070 PolarHBondContact O-N 3.11Å
1067I89.4Confident90.4Very high24 Ų2461.6 Ų61.612%0.12331%0.308CS..Hα-helixtrans-62.7-41.5178.5-65.6164.7000110.5V916 V921 L1063 L1064 Q1069 E1070 Q1071V916-I1067 HydrophobicContact CB-CG2 4.46Å; V916-I1067 HydrophobicContact CG1-CD1 4.18Å; V916-I1067 HydrophobicContact CG1-CG2 4.14Å; V916-I1067 HydrophobicContact CG2-CG2 3.6Å; V921-I1067 HydrophobicContact CG2-CD1 4Å; L1063-I1067 WeakPolarHBondContact O-CG1 3.34Å; L1063-I1067 PolarHBondContact O-N 3.08Å; L1064-I1067 PolarHBondContact O-N 2.96Å; L1064-I1067 VanDerWaalsContact O-N 3.14Å; I1067-Q1069 VanDerWaalsContact C-N 3.29Å; I1067-Q1069 PolarHBondContact O-N 3.41Å; I1067-E1070 PolarHBondContact O-N 3.28Å; I1067-E1070 VanDerWaalsContact O-N 3.16Å; I1067-Q1071 WeakPolarHBondContact O-CG 3.17Å; I1067-Q1071 PolarHBondContact O-N 2.83Å
1068H91Very high90Very high12 Ų1265.6 Ų65.66%0.05633%0.328CS..Hα-helixtrans-58.8-39.1174.9-72.1177.2000112.6L1064 I1065 R1066 R1072 Q1150 Q1153L1064-H1068 WeakPolarHBondContact CD1-NE2 3.4Å; L1064-H1068 WeakPolarHBondContact O-CB 3.45Å; L1064-H1068 VanDerWaalsContact O-CG 3.3Å; L1064-H1068 PolarHBondContact O-N 3.11Å; I1065-H1068 PolarHBondContact O-N 3.33Å; R1066-H1068 VanDerWaalsContact C-N 3.31Å; R1066-H1068 PolarHBondContact O-N 3.44Å; H1068-R1072 WeakPolarHBondContact O-CG 3.25Å; H1068-R1072 PolarHBondContact O-N 3.42Å; H1068-R1072 VanDerWaalsContact O-N 3.14Å; H1068-Q1150 VanDerWaalsContact CA-NE2 3.35Å; H1068-Q1150 HydrophobicContact CB-CG 4.25Å; H1068-Q1150 PolarHBondContact CE1-O 3.21Å; H1068-Q1150 VanDerWaalsContact CE1-O 3.22Å; H1068-Q1150 PolarHBondContact O-NE2 2.85Å; H1068-Q1150 VanDerWaalsContact O-NE2 3.08Å; H1068-Q1153 PolarHBondContact NE2-OE1 3.01Å
1069Q90.5Very high89.5Confident124 Ų12465.1 Ų65.158%0.57932%0.316SS*.Hα-helixtrans-65.9-42.8174.7-70.9172.21.100112.1I1065 R1066 I1067 R1072 A1073I1065-Q1069 WeakPolarHBondContact O-CG 3.25Å; I1065-Q1069 PolarHBondContact O-N 3.42Å; R1066-Q1069 WeakPolarHBondContact O-CB 3.39Å; R1066-Q1069 PolarHBondContact O-N 2.92Å; R1066-Q1069 VanDerWaalsContact O-N 3.17Å; I1067-Q1069 VanDerWaalsContact C-N 3.29Å; I1067-Q1069 PolarHBondContact O-N 3.41Å; Q1069-R1072 PolarHBondContact O-N 3Å; Q1069-A1073 PolarHBondContact O-N 3.19Å
1070E89.2Confident89.1Confident99 Ų9969.9 Ų69.946%0.46334%0.338SS..Hα-helixtrans-63-41.2177.2-70.2171.4-16800111.6R1066 I1067 A1073 S1074R1066-E1070 IonicContact CZ-OE1 2.63Å; R1066-E1070 IonicContact NH1-OE1 3.4Å; R1066-E1070 PolarHBondContact NH1-OE1 3.35Å; R1066-E1070 IonicContact NH1-OE2 3.48Å; R1066-E1070 WeakPolarHBondContact O-CG 3.36Å; R1066-E1070 PolarHBondContact O-N 3.11Å; I1067-E1070 PolarHBondContact O-N 3.28Å; I1067-E1070 VanDerWaalsContact O-N 3.16Å; E1070-A1073 PolarHBondContact O-N 3.22Å; E1070-S1074 WeakPolarHBondContact O-CB 3.15Å; E1070-S1074 PolarHBondContact O-N 2.89Å
1071Q88.1Confident88.9Confident35 Ų3573.1 Ų73.116%0.16436%0.357CS..Hα-helixtrans-60.8-46.6174.3-73.2-179.4-36.500112.3K914 V916 I1067 A1073 S1074 M1075 L1146K914-Q1071 PolarHBondContact O-NE2 2.92Å; V916-Q1071 VanDerWaalsContact CG2-NE2 3.35Å; I1067-Q1071 WeakPolarHBondContact O-CG 3.17Å; I1067-Q1071 PolarHBondContact O-N 2.83Å; Q1071-A1073 VanDerWaalsContact C-N 3.32Å; Q1071-A1073 PolarHBondContact O-N 3.09Å; Q1071-S1074 PolarHBondContact O-N 2.77Å; Q1071-M1075 WeakPolarHBondContact O-CB 3.39Å; Q1071-M1075 PolarHBondContact O-N 2.92Å; Q1071-L1146 HydrophobicContact CB-CD2 4.46Å
1072R87.4Confident88.6Confident106 Ų10673.8 Ų73.840%0.436%0.362SS..Hα-helixtrans-62.3-39.4177.2-71179.5-167.1-176.44111.7H1068 Q1069 K1076 L1146H1068-R1072 WeakPolarHBondContact O-CG 3.25Å; H1068-R1072 PolarHBondContact O-N 3.42Å; H1068-R1072 VanDerWaalsContact O-N 3.14Å; Q1069-R1072 PolarHBondContact O-N 3Å; R1072-K1076 WeakPolarHBondContact O-CG 3.27Å; R1072-K1076 PolarHBondContact O-N 3.12Å; R1072-L1146 HydrophobicContact CG-CD2 3.9Å
1073A88.7Confident88.2Confident61 Ų6169.3 Ų69.350%0.50434%0.342SS..Hα-helixtrans-66-44.7177.100000112Q1069 E1070 Q1071 M1075 K1076 L1077Q1069-A1073 PolarHBondContact O-N 3.19Å; E1070-A1073 PolarHBondContact O-N 3.22Å; Q1071-A1073 VanDerWaalsContact C-N 3.32Å; Q1071-A1073 PolarHBondContact O-N 3.09Å; A1073-M1075 PolarHBondContact O-N 3.5Å; A1073-K1076 PolarHBondContact O-N 2.94Å; A1073-L1077 PolarHBondContact O-N 2.97Å; A1073-L1077 VanDerWaalsContact O-N 3.12Å
1074S86.8Confident88Confident63 Ų6375.3 Ų75.344%0.44137%0.368SS..Hα-helixtrans-60-45.3176.7-1770000111.9E1070 Q1071 K1076 L1077 Q1078E1070-S1074 WeakPolarHBondContact O-CB 3.15Å; E1070-S1074 PolarHBondContact O-N 2.89Å; Q1071-S1074 PolarHBondContact O-N 2.77Å; S1074-K1076 VanDerWaalsContact C-N 3.31Å; S1074-K1076 PolarHBondContact O-N 2.83Å; S1074-L1077 WeakPolarHBondContact O-CB 3.29Å; S1074-L1077 PolarHBondContact O-N 3.42Å; S1074-L1077 VanDerWaalsContact O-N 3.14Å; S1074-Q1078 PolarHBondContact O-N 2.97Å
1075M83.9Confident87.9Confident19 Ų1979 Ų799%0.09438%0.384CS..Hα-helixtrans-62.9-36.5179.2-175.7176.1-7600112.3I913 Q1071 A1073 Q1078 L1079 H1139 Q1142 L1146I913-M1075 HydrophobicContact CD1-CE 3.89Å; I913-M1075 HydrophobicContact CG1-CE 3.84Å; Q1071-M1075 WeakPolarHBondContact O-CB 3.39Å; Q1071-M1075 PolarHBondContact O-N 2.92Å; A1073-M1075 PolarHBondContact O-N 3.5Å; M1075-Q1078 PolarHBondContact O-N 3.44Å; M1075-L1079 PolarHBondContact O-N 3.37Å; M1075-H1139 WeakPolarHBondContact CG-NE2 3.34Å; M1075-H1139 PolarHBondContact O-NE2 2.93Å; M1075-Q1142 HydrophobicContact CE-CB 4.4Å; M1075-Q1142 HydrophobicContact SD-CB 4.27Å; M1075-L1146 HydrophobicContact CE-CB 3.99Å; M1075-L1146 HydrophobicContact CE-CD1 4.47Å; M1075-L1146 HydrophobicContact CE-CD2 3.71Å; M1075-L1146 HydrophobicContact CE-CG 4.27Å; M1075-L1146 HydrophobicContact SD-CB 4.29Å; M1075-L1146 HydrophobicContact SD-CD2 3.83Å
1076K85.8Confident87.6Confident115 Ų11576.4 Ų76.450%0.537%0.371SS..Hα-helixtrans-65.9-41.6173.6-74.1180-179.5-177.20112.1R1072 A1073 S1074 Q1078 L1079 E1080R1072-K1076 WeakPolarHBondContact O-CG 3.27Å; R1072-K1076 PolarHBondContact O-N 3.12Å; A1073-K1076 PolarHBondContact O-N 2.94Å; S1074-K1076 VanDerWaalsContact C-N 3.31Å; S1074-K1076 PolarHBondContact O-N 2.83Å; K1076-Q1078 VanDerWaalsContact C-N 3.31Å; K1076-Q1078 PolarHBondContact O-N 3.31Å; K1076-L1079 WeakPolarHBondContact O-CB 3.26Å; K1076-L1079 PolarHBondContact O-N 3.26Å; K1076-E1080 PolarHBondContact O-N 3.47Å
1077L87.5Confident87.4Confident107 Ų10779 Ų7956%0.5638%0.381SS*.Hα-helixtrans-64.4-36177.2-175.364.7000112.3A1073 S1074 E1080 T1081A1073-L1077 PolarHBondContact O-N 2.97Å; A1073-L1077 VanDerWaalsContact O-N 3.12Å; S1074-L1077 WeakPolarHBondContact O-CB 3.29Å; S1074-L1077 PolarHBondContact O-N 3.42Å; S1074-L1077 VanDerWaalsContact O-N 3.14Å; L1077-E1080 PolarHBondContact O-N 2.8Å; L1077-T1081 PolarHBondContact O-N 2.85Å; L1077-T1081 VanDerWaalsContact O-N 3.09Å; L1077-T1081 PolarHBondContact O-OG1 2.79Å
1078Q84.5Confident87.3Confident112 Ų11283.6 Ų83.652%0.52340%0.402SS..Hα-helixtrans-61.8-45.2174.3-74.8177.4-19.500111.5S1074 M1075 K1076 E1080 T1081 E1082S1074-Q1078 PolarHBondContact O-N 2.97Å; M1075-Q1078 PolarHBondContact O-N 3.44Å; K1076-Q1078 VanDerWaalsContact C-N 3.31Å; K1076-Q1078 PolarHBondContact O-N 3.31Å; Q1078-E1080 PolarHBondContact O-N 3.09Å; Q1078-T1081 WeakPolarHBondContact O-CB 3.42Å; Q1078-T1081 PolarHBondContact O-N 3.01Å; Q1078-T1081 VanDerWaalsContact O-N 3.16Å; Q1078-E1082 PolarHBondContact O-N 2.94Å
1079L83.6Confident87.1Confident50 Ų5091.3 Ų91.326%0.26243%0.431SS..Hα-helixtrans-57.4-47.3176.2179.560.3000112.3M1075 K1076 T1081 E1082 F1083 H1139M1075-L1079 PolarHBondContact O-N 3.37Å; K1076-L1079 WeakPolarHBondContact O-CB 3.26Å; K1076-L1079 PolarHBondContact O-N 3.26Å; L1079-T1081 PolarHBondContact O-N 2.77Å; L1079-E1082 PolarHBondContact O-N 3.4Å; L1079-F1083 WeakPolarHBondContact O-CB 3.45Å; L1079-F1083 PolarHBondContact O-N 2.86Å; L1079-H1139 HydrophobicContact CD1-CB 3.75Å; L1079-H1139 HydrophobicContact CD2-CB 4.38Å
1080E86.5Confident86.8Confident137 Ų13786.3 Ų86.364%0.6441%0.408SS*.Hα-helixtrans-60.5-39179.8-70.9-176.917800111.3K1076 L1077 Q1078 K1084K1076-E1080 PolarHBondContact O-N 3.47Å; L1077-E1080 PolarHBondContact O-N 2.8Å; Q1078-E1080 PolarHBondContact O-N 3.09Å; E1080-K1084 WeakPolarHBondContact O-CB 3.44Å; E1080-K1084 PolarHBondContact O-N 2.87Å
1081T88.1Confident86.6Confident67 Ų6785.3 Ų85.341%0.41141%0.408SS..Hα-helixtrans-67.5-47.6178.1-56.30000111.8L1077 Q1078 L1079 F1083 K1084 Q1085L1077-T1081 PolarHBondContact O-N 2.85Å; L1077-T1081 VanDerWaalsContact O-N 3.09Å; L1077-T1081 PolarHBondContact O-OG1 2.79Å; Q1078-T1081 WeakPolarHBondContact O-CB 3.42Å; Q1078-T1081 PolarHBondContact O-N 3.01Å; Q1078-T1081 VanDerWaalsContact O-N 3.16Å; L1079-T1081 PolarHBondContact O-N 2.77Å; T1081-F1083 VanDerWaalsContact C-N 3.33Å; T1081-F1083 PolarHBondContact O-N 2.76Å; T1081-K1084 WeakPolarHBondContact O-CB 3.3Å; T1081-K1084 PolarHBondContact O-N 3.29Å; T1081-Q1085 WeakPolarHBondContact O-CG 3.36Å; T1081-Q1085 PolarHBondContact O-N 3.45Å
1082E86.1Confident86.6Confident75 Ų7590 Ų9035%0.3543%0.428SS..Hα-helixtrans-62.3-40.6177-71.6-168.9159.700111.9Q1078 L1079 K1084 Q1085 L1086 L1135Q1078-E1082 PolarHBondContact O-N 2.94Å; L1079-E1082 PolarHBondContact O-N 3.4Å; E1082-K1084 VanDerWaalsContact C-N 3.33Å; E1082-K1084 PolarHBondContact O-N 2.96Å; E1082-Q1085 PolarHBondContact O-N 3.35Å; E1082-L1086 WeakPolarHBondContact O-CB 3.38Å; E1082-L1086 PolarHBondContact O-N 2.82Å; E1082-L1135 HydrophobicContact CB-CD2 4.08Å; E1082-L1135 WeakPolarHBondContact OE2-CD1 3.32Å
1083F86.8Confident86.5Confident58 Ų5889.6 Ų89.625%0.25443%0.429SS..Hα-helixtrans-63.6-39.8176.4-165.9-86.9000111.9L1079 T1081 L1086 R1087 R1132L1079-F1083 WeakPolarHBondContact O-CB 3.45Å; L1079-F1083 PolarHBondContact O-N 2.86Å; T1081-F1083 VanDerWaalsContact C-N 3.33Å; T1081-F1083 PolarHBondContact O-N 2.76Å; F1083-L1086 PolarHBondContact O-N 3.33Å; F1083-R1087 PolarHBondContact O-N 3.36Å; F1083-R1087 VanDerWaalsContact O-N 3.08Å; F1083-R1132 HydrophobicContact CD2-CG 4.32Å; F1083-R1132 HydrophobicContact CE2-CG 3.4Å; F1083-R1132 VanDerWaalsContact CE2-CG 3.4Å; F1083-R1132 HydrophobicContact CZ-CG 4Å
1084K88.8Confident86.3Confident141 Ų14188.3 Ų88.361%0.61342%0.417SS*.Hα-helixtrans-63.2-43.3174.6-171.5177.6-179.7-179.80111.2E1080 T1081 E1082 R1087 Q1088E1080-K1084 WeakPolarHBondContact O-CB 3.44Å; E1080-K1084 PolarHBondContact O-N 2.87Å; T1081-K1084 WeakPolarHBondContact O-CB 3.3Å; T1081-K1084 PolarHBondContact O-N 3.29Å; E1082-K1084 VanDerWaalsContact C-N 3.33Å; E1082-K1084 PolarHBondContact O-N 2.96Å; K1084-R1087 PolarHBondContact O-N 2.94Å; K1084-Q1088 WeakPolarHBondContact O-CG 3.41Å; K1084-Q1088 PolarHBondContact O-N 3.42Å
1085Q89.1Confident86.1Confident81 Ų8190 Ų9038%0.37942%0.419SS..Hα-helixtrans-65-43.3176.6-70.1-175.315.900112.3T1081 E1082 R1087 Q1088 R1089T1081-Q1085 WeakPolarHBondContact O-CG 3.36Å; T1081-Q1085 PolarHBondContact O-N 3.45Å; E1082-Q1085 PolarHBondContact O-N 3.35Å; Q1085-R1087 VanDerWaalsContact C-N 3.29Å; Q1085-R1087 PolarHBondContact O-N 3.4Å; Q1085-Q1088 PolarHBondContact O-N 3.32Å; Q1085-Q1088 VanDerWaalsContact O-N 3.12Å; Q1085-R1089 WeakPolarHBondContact O-CG 3.41Å; Q1085-R1089 PolarHBondContact O-N 3.24Å
1086L87Confident86.2Confident27 Ų2792.6 Ų92.614%0.14143%0.433CS..Hα-helixtrans-56.7-46.1176.5-176.667.1000110.7E1082 F1083 Q1088 R1089 Q1090 F1128 E1131 R1132 L1135E1082-L1086 WeakPolarHBondContact O-CB 3.38Å; E1082-L1086 PolarHBondContact O-N 2.82Å; F1083-L1086 PolarHBondContact O-N 3.33Å; L1086-Q1088 VanDerWaalsContact C-N 3.34Å; L1086-Q1088 PolarHBondContact O-N 2.95Å; L1086-R1089 PolarHBondContact O-N 3.19Å; L1086-Q1090 WeakPolarHBondContact O-CB 2.88Å; L1086-Q1090 PolarHBondContact O-N 3.23Å; L1086-F1128 HydrophobicContact CD2-CE2 4.17Å; L1086-F1128 HydrophobicContact CG-CD2 4.27Å; L1086-F1128 HydrophobicContact CG-CE2 3.94Å; L1086-E1131 HydrophobicContact CD1-CB 4.21Å; L1086-E1131 WeakPolarHBondContact CD1-OE2 3.3Å; L1086-E1131 HydrophobicContact CD2-CB 4.35Å; L1086-R1132 HydrophobicContact CD2-CB 4.37Å; L1086-L1135 HydrophobicContact CD2-CD2 4.33Å
1087R86.2Confident86.2Confident145 Ų14589.4 Ų89.455%0.54742%0.422SS..Hα-helixtrans-62.7-39.7177.2-163.4-174.2-84.5-151.5-1.3112F1083 K1084 Q1085 T1091 F1128F1083-R1087 PolarHBondContact O-N 3.36Å; F1083-R1087 VanDerWaalsContact O-N 3.08Å; K1084-R1087 PolarHBondContact O-N 2.94Å; Q1085-R1087 VanDerWaalsContact C-N 3.29Å; Q1085-R1087 PolarHBondContact O-N 3.4Å; R1087-T1091 PolarHBondContact O-N 2.92Å; R1087-T1091 VanDerWaalsContact O-N 3.14Å; R1087-T1091 PolarHBondContact O-OG1 3.02Å; R1087-F1128 HydrophobicContact CB-CE2 4.44Å; R1087-F1128 HydrophobicContact CB-CZ 4.44Å; R1087-F1128 HydrophobicContact CG-CZ 4.36Å
1088Q88.6Confident85.9Confident122 Ų12285.5 Ų85.557%0.5740%0.403SS*.Hα-helixtrans-66.8-46.5176.7-73.7175.5-9.700112.6K1084 Q1085 L1086 Q1090 T1091 K1092K1084-Q1088 WeakPolarHBondContact O-CG 3.41Å; K1084-Q1088 PolarHBondContact O-N 3.42Å; Q1085-Q1088 PolarHBondContact O-N 3.32Å; Q1085-Q1088 VanDerWaalsContact O-N 3.12Å; L1086-Q1088 VanDerWaalsContact C-N 3.34Å; L1086-Q1088 PolarHBondContact O-N 2.95Å; Q1088-Q1090 VanDerWaalsContact C-N 3.31Å; Q1088-Q1090 PolarHBondContact O-N 3.13Å; Q1088-T1091 PolarHBondContact O-N 2.8Å; Q1088-K1092 PolarHBondContact O-N 3.49Å
1089R86.8Confident85.9Confident173 Ų17386 Ų8665%0.65340%0.403SS*.Hα-helixtrans-59.8-43.3178.1-69.9-179.3-164.31797.3111.1Q1085 L1086 K1092 K1093Q1085-R1089 WeakPolarHBondContact O-CG 3.41Å; Q1085-R1089 PolarHBondContact O-N 3.24Å; L1086-R1089 PolarHBondContact O-N 3.19Å; R1089-K1092 PolarHBondContact O-N 3.45Å; R1089-K1093 PolarHBondContact O-N 3.05Å
1090Q84.2Confident85.9Confident20 Ų2086.4 Ų86.49%0.09341%0.414CS..Hα-helixtrans-64.8-43.2179.1-175.362.522.600112.9L1086 Q1088 K1092 K1093 S1094 N1124 F1128L1086-Q1090 WeakPolarHBondContact O-CB 2.88Å; L1086-Q1090 PolarHBondContact O-N 3.23Å; Q1088-Q1090 VanDerWaalsContact C-N 3.31Å; Q1088-Q1090 PolarHBondContact O-N 3.13Å; Q1090-K1092 VanDerWaalsContact C-N 3.32Å; Q1090-K1092 PolarHBondContact O-N 2.81Å; Q1090-K1093 PolarHBondContact O-N 2.8Å; Q1090-S1094 PolarHBondContact NE2-OG 3.16Å; Q1090-S1094 WeakPolarHBondContact O-CB 3.34Å; Q1090-S1094 PolarHBondContact O-N 3.14Å; Q1090-S1094 PolarHBondContact O-OG 2.9Å; Q1090-N1124 PolarHBondContact NE2-O 3.06Å; Q1090-F1128 HydrophobicContact CB-CD2 3.63Å; Q1090-F1128 HydrophobicContact CB-CE2 4.13Å; Q1090-F1128 HydrophobicContact CB-CG 4.4Å; Q1090-F1128 HydrophobicContact CG-CB 3.79Å; Q1090-F1128 HydrophobicContact CG-CD2 3.61Å; Q1090-F1128 HydrophobicContact CG-CE2 4.44Å; Q1090-F1128 HydrophobicContact CG-CG 3.87Å
1091T84.7Confident85.6Confident77 Ų7780.8 Ų80.847%0.47239%0.388SS..Hα-helixtrans-60.7-44.1176.1-58.90000110.5R1087 Q1088 S1094 M1095R1087-T1091 PolarHBondContact O-N 2.92Å; R1087-T1091 VanDerWaalsContact O-N 3.14Å; R1087-T1091 PolarHBondContact O-OG1 3.02Å; Q1088-T1091 PolarHBondContact O-N 2.8Å; T1091-S1094 PolarHBondContact O-N 2.94Å; T1091-M1095 HydrophobicContact CG2-CE 4.33Å; T1091-M1095 WeakPolarHBondContact O-CG 3.49Å; T1091-M1095 PolarHBondContact O-N 2.75Å; T1091-M1095 VanDerWaalsContact O-N 3.08Å
1092K87.7Confident85.1Confident133 Ų13383.5 Ų83.558%0.57840%0.396SS*.Hα-helixtrans-60.4-52.4177.4-173.2179.3178.3-176.40111.7Q1088 R1089 Q1090 S1094 M1095 D1096Q1088-K1092 PolarHBondContact O-N 3.49Å; R1089-K1092 PolarHBondContact O-N 3.45Å; Q1090-K1092 VanDerWaalsContact C-N 3.32Å; Q1090-K1092 PolarHBondContact O-N 2.81Å; K1092-S1094 VanDerWaalsContact C-N 3.31Å; K1092-S1094 PolarHBondContact O-N 2.97Å; K1092-M1095 WeakPolarHBondContact O-CB 3.32Å; K1092-M1095 PolarHBondContact O-N 2.82Å; K1092-M1095 VanDerWaalsContact O-N 3.1Å; K1092-D1096 PolarHBondContact O-N 3.39Å
1093K85.3Confident84.8Confident99 Ų9986.5 Ų86.543%0.4341%0.414SS..Hα-helixtrans-56.5-44.3177.9-174.5174-178.6176.60112.2R1089 Q1090 M1095 D1096 D1097R1089-K1093 PolarHBondContact O-N 3.05Å; Q1090-K1093 PolarHBondContact O-N 2.8Å; K1093-M1095 VanDerWaalsContact C-N 3.3Å; K1093-M1095 PolarHBondContact O-N 2.99Å; K1093-D1096 PolarHBondContact O-N 3.47Å; K1093-D1097 WeakPolarHBondContact O-CB 3.38Å; K1093-D1097 VanDerWaalsContact O-CG 3.27Å; K1093-D1097 PolarHBondContact O-N 3.02Å
1094S84.4Confident84.5Confident34 Ų3486.5 Ų86.524%0.23842%0.417CS..Hα-helixtrans-64.8-33179.2-57.30000112.9Q1090 T1091 K1092 S1098Q1090-S1094 PolarHBondContact NE2-OG 3.16Å; Q1090-S1094 WeakPolarHBondContact O-CB 3.34Å; Q1090-S1094 PolarHBondContact O-N 3.14Å; Q1090-S1094 PolarHBondContact O-OG 2.9Å; T1091-S1094 PolarHBondContact O-N 2.94Å; K1092-S1094 VanDerWaalsContact C-N 3.31Å; K1092-S1094 PolarHBondContact O-N 2.97Å; S1094-S1098 WeakPolarHBondContact O-CB 3.2Å; S1094-S1098 PolarHBondContact O-N 2.77Å
1095M83.6Confident83.9Confident98 Ų9889 Ų8948%0.48343%0.428SS..Hα-helixtrans-71-43.8173.6-71-173.6-62.300112T1091 K1092 K1093 S1098 K1099T1091-M1095 HydrophobicContact CG2-CE 4.33Å; T1091-M1095 WeakPolarHBondContact O-CG 3.49Å; T1091-M1095 PolarHBondContact O-N 2.75Å; T1091-M1095 VanDerWaalsContact O-N 3.08Å; K1092-M1095 WeakPolarHBondContact O-CB 3.32Å; K1092-M1095 PolarHBondContact O-N 2.82Å; K1092-M1095 VanDerWaalsContact O-N 3.1Å; K1093-M1095 VanDerWaalsContact C-N 3.3Å; K1093-M1095 PolarHBondContact O-N 2.99Å; M1095-S1098 PolarHBondContact O-N 2.77Å; M1095-K1099 WeakPolarHBondContact O-CG 3.06Å; M1095-K1099 PolarHBondContact O-N 3.15Å
1096D85.9Confident83.2Confident73 Ų7394.3 Ų94.339%0.3945%0.449SS..Hα-helixtrans-67.1-43-177.8-67.5-21.8000111.3K1092 K1093 S1098 K1099 A1100K1092-D1096 PolarHBondContact O-N 3.39Å; K1093-D1096 PolarHBondContact O-N 3.47Å; D1096-S1098 VanDerWaalsContact C-N 3.34Å; D1096-S1098 PolarHBondContact O-N 2.86Å; D1096-K1099 PolarHBondContact O-N 2.78Å; D1096-A1100 WeakPolarHBondContact O-CB 3.44Å; D1096-A1100 PolarHBondContact O-N 3.11Å
1097D84.9Confident82.4Confident49 Ų4993.5 Ų93.526%0.26245%0.446SS..Hα-helixtrans-60.9-43.3175.1-70.5-20.6000111.5K1093 K1099 A1100 I1101 I1120 N1124K1093-D1097 WeakPolarHBondContact O-CB 3.38Å; K1093-D1097 VanDerWaalsContact O-CG 3.27Å; K1093-D1097 PolarHBondContact O-N 3.02Å; D1097-K1099 PolarHBondContact O-N 3.49Å; D1097-A1100 PolarHBondContact O-N 2.97Å; D1097-I1101 WeakPolarHBondContact O-CD1 3.34Å; D1097-I1101 VanDerWaalsContact O-CG1 3.29Å; D1097-I1101 WeakPolarHBondContact O-CG1 3.31Å; D1097-I1101 PolarHBondContact O-N 2.59Å; D1097-I1101 VanDerWaalsContact O-N 3.15Å; D1097-I1120 HydrophobicContact CB-CG2 3.85Å; D1097-N1124 PolarHBondContact OD2-ND2 3.46Å
1098S81.6Confident81.7Confident25 Ų2596 Ų9618%0.17546%0.461CS..Hα-helixtrans-62.3-42.8176.9-172.40000111.6S1094 M1095 D1096 I1101 Q1102S1094-S1098 WeakPolarHBondContact O-CB 3.2Å; S1094-S1098 PolarHBondContact O-N 2.77Å; M1095-S1098 PolarHBondContact O-N 2.77Å; D1096-S1098 VanDerWaalsContact C-N 3.34Å; D1096-S1098 PolarHBondContact O-N 2.86Å; S1098-I1101 PolarHBondContact O-N 2.95Å; S1098-Q1102 WeakPolarHBondContact O-CG 3.41Å; S1098-Q1102 PolarHBondContact O-N 3.28Å; S1098-Q1102 VanDerWaalsContact O-N 3.15Å
1099K84.1Confident81.3Confident121 Ų12197.7 Ų97.753%0.52647%0.466SS..Hα-helixtrans-63.7-41.5175.4-75.1176.1-178.1175.30112.2M1095 D1096 D1097 I1101 Q1102 L1103M1095-K1099 WeakPolarHBondContact O-CG 3.06Å; M1095-K1099 PolarHBondContact O-N 3.15Å; D1096-K1099 PolarHBondContact O-N 2.78Å; D1097-K1099 PolarHBondContact O-N 3.49Å; K1099-I1101 VanDerWaalsContact C-N 3.34Å; K1099-I1101 PolarHBondContact O-N 3.46Å; K1099-Q1102 PolarHBondContact O-N 2.67Å; K1099-L1103 WeakPolarHBondContact O-CG 3.25Å; K1099-L1103 PolarHBondContact O-N 3.2Å
1100A83.5Confident81Confident59 Ų5997.1 Ų97.149%0.48847%0.468SS..Hα-helixtrans-60.9-42.3179.300000111.9D1096 D1097 Q1102 L1103 D1104D1096-A1100 WeakPolarHBondContact O-CB 3.44Å; D1096-A1100 PolarHBondContact O-N 3.11Å; D1097-A1100 PolarHBondContact O-N 2.97Å; A1100-Q1102 VanDerWaalsContact C-N 3.35Å; A1100-Q1102 PolarHBondContact O-N 3.09Å; A1100-L1103 PolarHBondContact O-N 3.15Å; A1100-D1104 PolarHBondContact O-N 3.41Å; A1100-D1104 VanDerWaalsContact O-N 3.1Å
1101I80.5Confident80.9Confident20 Ų20100 Ų10010%0.10350%0.495CS..Hα-helixtrans-66.9-37.9177-58.7157.2000111.1D1097 S1098 K1099 L1103 D1104 R1116 V1117 I1120D1097-I1101 WeakPolarHBondContact O-CD1 3.34Å; D1097-I1101 VanDerWaalsContact O-CG1 3.29Å; D1097-I1101 WeakPolarHBondContact O-CG1 3.31Å; D1097-I1101 PolarHBondContact O-N 2.59Å; D1097-I1101 VanDerWaalsContact O-N 3.15Å; S1098-I1101 PolarHBondContact O-N 2.95Å; K1099-I1101 VanDerWaalsContact C-N 3.34Å; K1099-I1101 PolarHBondContact O-N 3.46Å; I1101-L1103 VanDerWaalsContact C-N 3.33Å; I1101-L1103 PolarHBondContact O-N 2.83Å; I1101-D1104 PolarHBondContact O-N 3.14Å; I1101-R1116 HydrophobicContact CG2-CB 4Å; I1101-V1117 HydrophobicContact CB-CG2 4.07Å; I1101-V1117 HydrophobicContact CD1-CB 4.45Å; I1101-V1117 HydrophobicContact CD1-CG2 3.88Å; I1101-V1117 HydrophobicContact CG2-CG2 3.89Å; I1101-I1120 HydrophobicContact CD1-CB 4.18Å; I1101-I1120 HydrophobicContact CD1-CD1 3.37Å; I1101-I1120 HydrophobicContact CD1-CG1 4.28Å; I1101-I1120 HydrophobicContact CD1-CG2 4.44Å; I1101-I1120 HydrophobicContact CG1-CD1 3.98Å
1102Q77.8Confident80.7Confident123 Ų123100.5 Ų100.558%0.57549%0.492SS*.Hα-helixtrans-64.4-38.7176.4-72.8-178.79.700112S1098 K1099 A1100 K1113S1098-Q1102 WeakPolarHBondContact O-CG 3.41Å; S1098-Q1102 PolarHBondContact O-N 3.28Å; S1098-Q1102 VanDerWaalsContact O-N 3.15Å; K1099-Q1102 PolarHBondContact O-N 2.67Å; A1100-Q1102 VanDerWaalsContact C-N 3.35Å; A1100-Q1102 PolarHBondContact O-N 3.09Å; Q1102-K1113 PolarHBondContact O-NZ 3.42Å
1103L80.4Confident80.2Confident139 Ų13996.2 Ų96.273%0.72847%0.474SS*.Hα-helixtrans-80.4-11.4-179.7-70168.9000114.2K1099 A1100 I1101 K1105K1099-L1103 WeakPolarHBondContact O-CG 3.25Å; K1099-L1103 PolarHBondContact O-N 3.2Å; A1100-L1103 PolarHBondContact O-N 3.15Å; I1101-L1103 VanDerWaalsContact C-N 3.33Å; I1101-L1103 PolarHBondContact O-N 2.83Å; L1103-K1105 PolarHBondContact O-N 2.71Å; L1103-K1105 VanDerWaalsContact O-N 3.12Å
1104D78.9Confident80.1Confident57 Ų5796 Ų9631%0.30548%0.477SS..  trans-64.9115178.3-170.3-3000111A1100 I1101 K1106 K1113A1100-D1104 PolarHBondContact O-N 3.41Å; A1100-D1104 VanDerWaalsContact O-N 3.1Å; I1101-D1104 PolarHBondContact O-N 3.14Å; D1104-K1106 VanDerWaalsContact C-N 3.31Å; D1104-K1106 WeakPolarHBondContact OD1-CB 3.45Å; D1104-K1106 PolarHBondContact OD1-N 3.15Å; D1104-K1113 WeakPolarHBondContact O-CE 3.37Å; D1104-K1113 PolarHBondContact O-NZ 2.99Å
1105K76.8Confident80.1Confident194 Ų194102.4 Ų102.484%0.84350%0.496SS*.THydrogen-bonded Turntrans-77.7-14.7179.8-65.2-176.9-179.5178.20112.7L1103 V1107L1103-K1105 PolarHBondContact O-N 2.71Å; L1103-K1105 VanDerWaalsContact O-N 3.12Å; K1105-V1107 VanDerWaalsContact C-N 3.35Å
1106K75.2Confident80Confident192 Ų192102.3 Ų102.384%0.83549%0.49SS*.THydrogen-bonded Turntrans-75.5-23.6-179.9-64.2-177.6178.5-179.40112.6D1104D1104-K1106 VanDerWaalsContact C-N 3.31Å; D1104-K1106 WeakPolarHBondContact OD1-CB 3.45Å; D1104-K1106 PolarHBondContact OD1-N 3.15Å
1107V70.3Confident79.9Confident11 Ų1199.7 Ų99.77%0.06748%0.477CS..  trans-103107.6179.1-173.10000109.4K1105 E1112 K1113K1105-V1107 VanDerWaalsContact C-N 3.35Å; V1107-E1112 HydrophobicContact CG1-CB 3.93Å; V1107-E1112 HydrophobicContact CG1-CG 4.05Å; V1107-K1113 HydrophobicContact CB-CG 4.19Å; V1107-K1113 HydrophobicContact CG1-CG 3.78Å; V1107-K1113 WeakPolarHBondContact O-CE 3.3Å
1108K71.1Confident79.8Confident198 Ų198103.4 Ų103.486%0.86149%0.491SS*.  trans-92.4-20.5-176.3-65.8-174.8-178.4-1800114.4
1109K80Confident80Confident156 Ų156106.5 Ų106.568%0.67850%0.503SS*.  trans-91.5123.8-176.8-67.4-176.8179.7178.90111.1A1111 E1112 K1113K1109-A1111 PolarHBondContact O-N 3.31Å; K1109-E1112 HydrophobicContact CB-CB 4.41Å; K1109-E1112 PolarHBondContact O-N 3.48Å; K1109-E1112 VanDerWaalsContact O-N 3.11Å; K1109-K1113 PolarHBondContact O-N 3.44Å
1110K79.8Confident80Confident162 Ų162103.5 Ų103.570%0.70449%0.492SS*.Hα-helixtrans-56-44.6-179.5-175.2177.5178-178.40112.9E1112 K1113 D1114K1110-E1112 PolarHBondContact O-N 2.89Å; K1110-K1113 PolarHBondContact O-N 3.13Å; K1110-K1113 VanDerWaalsContact O-N 3.1Å; K1110-D1114 PolarHBondContact O-N 3.08Å
1111A82.4Confident80.1Confident80 Ų80105.7 Ų105.766%0.66149%0.492SS*.Hα-helixtrans-58.6-32.6178.500000113.3K1109 R1115K1109-A1111 PolarHBondContact O-N 3.31Å; A1111-R1115 WeakPolarHBondContact O-CB 3.22Å; A1111-R1115 PolarHBondContact O-N 2.96Å; A1111-R1115 VanDerWaalsContact O-N 3.13Å
1112E79.8Confident80.4Confident87 Ų87110.5 Ų110.541%0.40751%0.514SS..Hα-helixtrans-78.7-33.7178-167.5168.3160.300112.1V1107 K1109 K1110 R1116V1107-E1112 HydrophobicContact CG1-CB 3.93Å; V1107-E1112 HydrophobicContact CG1-CG 4.05Å; K1109-E1112 HydrophobicContact CB-CB 4.41Å; K1109-E1112 PolarHBondContact O-N 3.48Å; K1109-E1112 VanDerWaalsContact O-N 3.11Å; K1110-E1112 PolarHBondContact O-N 2.89Å; E1112-R1116 WeakPolarHBondContact O-CG 3.26Å; E1112-R1116 PolarHBondContact O-N 3.24Å; E1112-R1116 VanDerWaalsContact O-N 3.08Å; E1112-R1116 IonicContact OE1-CZ 2.76Å; E1112-R1116 IonicContact OE1-NE 3.95Å; E1112-R1116 IonicContact OE1-NH2 3.27Å; E1112-R1116 PolarHBondContact OE1-NH2 2.86Å
1113K79Confident80.8Confident44 Ų44111.3 Ų111.319%0.19152%0.515CS..Hα-helixtrans-62.2-47.2170.3-67.6-164.2177.4-165.20111.2Q1102 D1104 V1107 K1109 K1110 R1115 R1116 V1117Q1102-K1113 PolarHBondContact O-NZ 3.42Å; D1104-K1113 WeakPolarHBondContact O-CE 3.37Å; D1104-K1113 PolarHBondContact O-NZ 2.99Å; V1107-K1113 HydrophobicContact CB-CG 4.19Å; V1107-K1113 HydrophobicContact CG1-CG 3.78Å; V1107-K1113 WeakPolarHBondContact O-CE 3.3Å; K1109-K1113 PolarHBondContact O-N 3.44Å; K1110-K1113 PolarHBondContact O-N 3.13Å; K1110-K1113 VanDerWaalsContact O-N 3.1Å; K1113-R1115 VanDerWaalsContact C-N 3.33Å; K1113-R1115 PolarHBondContact O-N 3.47Å; K1113-R1116 PolarHBondContact O-N 2.71Å; K1113-V1117 WeakPolarHBondContact O-CG2 3.26Å; K1113-V1117 PolarHBondContact O-N 2.89Å
1114D81.5Confident81Confident93 Ų93105 Ų10550%0.49748%0.483SS..Hα-helixtrans-63.7-39-179.1-66.1-21.2000111.6K1110 V1117 K1118K1110-D1114 PolarHBondContact O-N 3.08Å; D1114-V1117 PolarHBondContact O-N 3.37Å; D1114-K1118 PolarHBondContact O-N 3.02Å; D1114-K1118 VanDerWaalsContact O-N 3.1Å
1115R84.8Confident81.4Confident170 Ų170105.8 Ų105.864%0.64249%0.491SS*.Hα-helixtrans-61.6-47.5173.4-177.5-179.1166.3-179.6-2.2112.1A1111 K1113 V1117 K1118 E1119A1111-R1115 WeakPolarHBondContact O-CB 3.22Å; A1111-R1115 PolarHBondContact O-N 2.96Å; A1111-R1115 VanDerWaalsContact O-N 3.13Å; K1113-R1115 VanDerWaalsContact C-N 3.33Å; K1113-R1115 PolarHBondContact O-N 3.47Å; R1115-V1117 VanDerWaalsContact C-N 3.35Å; R1115-V1117 PolarHBondContact O-N 3.23Å; R1115-K1118 PolarHBondContact O-N 3.15Å; R1115-E1119 IonicContact CZ-OE1 3.56Å; R1115-E1119 IonicContact NE-OE1 3.51Å; R1115-E1119 PolarHBondContact NE-OE1 3.39Å; R1115-E1119 IonicContact NH2-OE1 3.35Å; R1115-E1119 PolarHBondContact NH2-OE1 2.98Å; R1115-E1119 VanDerWaalsContact NH2-OE1 3.12Å; R1115-E1119 PolarHBondContact O-N 3Å
1116R81.5Confident81.9Confident95 Ų95103.3 Ų103.336%0.35848%0.481SS..Hα-helixtrans-64.9-37.1179.4-72.5-174.2-169.1-165.74.6112.5I1101 E1112 K1113 K1118 I1120I1101-R1116 HydrophobicContact CG2-CB 4Å; E1112-R1116 WeakPolarHBondContact O-CG 3.26Å; E1112-R1116 PolarHBondContact O-N 3.24Å; E1112-R1116 VanDerWaalsContact O-N 3.08Å; E1112-R1116 IonicContact OE1-CZ 2.76Å; E1112-R1116 IonicContact OE1-NE 3.95Å; E1112-R1116 IonicContact OE1-NH2 3.27Å; E1112-R1116 PolarHBondContact OE1-NH2 2.86Å; K1113-R1116 PolarHBondContact O-N 2.71Å; R1116-K1118 VanDerWaalsContact C-N 3.33Å; R1116-I1120 WeakPolarHBondContact O-CB 3.4Å; R1116-I1120 PolarHBondContact O-N 3.48Å
1117V83.3Confident82.4Confident19 Ų1996.6 Ų96.612%0.11545%0.454CS..Hα-helixtrans-60.9-44.3173.4171.80000110.5I1101 K1113 D1114 R1115 I1120 Q1121I1101-V1117 HydrophobicContact CB-CG2 4.07Å; I1101-V1117 HydrophobicContact CD1-CB 4.45Å; I1101-V1117 HydrophobicContact CD1-CG2 3.88Å; I1101-V1117 HydrophobicContact CG2-CG2 3.89Å; K1113-V1117 WeakPolarHBondContact O-CG2 3.26Å; K1113-V1117 PolarHBondContact O-N 2.89Å; D1114-V1117 PolarHBondContact O-N 3.37Å; R1115-V1117 VanDerWaalsContact C-N 3.35Å; R1115-V1117 PolarHBondContact O-N 3.23Å; V1117-I1120 PolarHBondContact O-N 3.38Å; V1117-Q1121 HydrophobicContact CG1-CG 4.37Å; V1117-Q1121 WeakPolarHBondContact O-CB 3.35Å; V1117-Q1121 VanDerWaalsContact O-CG 3.29Å; V1117-Q1121 WeakPolarHBondContact O-CG 3.42Å; V1117-Q1121 PolarHBondContact O-N 3.35Å
1118K83.9Confident83.2Confident127 Ų12797.6 Ų97.655%0.55246%0.457SS*.Hα-helixtrans-65-45.6179-167.3-179.1177.3-1740112.6D1114 R1115 R1116 I1120 Q1121 E1122D1114-K1118 PolarHBondContact O-N 3.02Å; D1114-K1118 VanDerWaalsContact O-N 3.1Å; R1115-K1118 PolarHBondContact O-N 3.15Å; R1116-K1118 VanDerWaalsContact C-N 3.33Å; K1118-I1120 VanDerWaalsContact C-N 3.31Å; K1118-I1120 PolarHBondContact O-N 3Å; K1118-Q1121 PolarHBondContact O-N 3.35Å; K1118-E1122 WeakPolarHBondContact CE-OE1 3.16Å; K1118-E1122 PolarHBondContact O-N 2.91Å
1119E85.5Confident84Confident90 Ų9091.7 Ų91.742%0.42144%0.435SS..Hα-helixtrans-60.5-40.7177.4-72.5174.1-178.800111.6R1115 K1123R1115-E1119 IonicContact CZ-OE1 3.56Å; R1115-E1119 IonicContact NE-OE1 3.51Å; R1115-E1119 PolarHBondContact NE-OE1 3.39Å; R1115-E1119 IonicContact NH2-OE1 3.35Å; R1115-E1119 PolarHBondContact NH2-OE1 2.98Å; R1115-E1119 VanDerWaalsContact NH2-OE1 3.12Å; R1115-E1119 PolarHBondContact O-N 3Å; E1119-K1123 WeakPolarHBondContact O-CB 3.42Å; E1119-K1123 PolarHBondContact O-N 2.94Å
1120I84.9Confident84.3Confident58 Ų5888.1 Ų88.130%0.29742%0.423SS..Hα-helixtrans-71.3-37.4177-75.4169.4000111.7D1097 I1101 R1116 V1117 K1118 K1123 N1124D1097-I1120 HydrophobicContact CB-CG2 3.85Å; I1101-I1120 HydrophobicContact CD1-CB 4.18Å; I1101-I1120 HydrophobicContact CD1-CD1 3.37Å; I1101-I1120 HydrophobicContact CD1-CG1 4.28Å; I1101-I1120 HydrophobicContact CD1-CG2 4.44Å; I1101-I1120 HydrophobicContact CG1-CD1 3.98Å; R1116-I1120 WeakPolarHBondContact O-CB 3.4Å; R1116-I1120 PolarHBondContact O-N 3.48Å; V1117-I1120 PolarHBondContact O-N 3.38Å; K1118-I1120 VanDerWaalsContact C-N 3.31Å; K1118-I1120 PolarHBondContact O-N 3Å; I1120-K1123 PolarHBondContact O-N 3.5Å; I1120-N1124 WeakPolarHBondContact O-CB 3.29Å; I1120-N1124 VanDerWaalsContact O-CG 3.26Å; I1120-N1124 PolarHBondContact O-N 3.08Å
1121Q84.1Confident84.5Confident105 Ų10584.5 Ų84.549%0.49141%0.408SS..Hα-helixtrans-62.7-42.3173.6-77.9177.9-5.500112.4V1117 K1118 N1124 C1125V1117-Q1121 HydrophobicContact CG1-CG 4.37Å; V1117-Q1121 WeakPolarHBondContact O-CB 3.35Å; V1117-Q1121 VanDerWaalsContact O-CG 3.29Å; V1117-Q1121 WeakPolarHBondContact O-CG 3.42Å; V1117-Q1121 PolarHBondContact O-N 3.35Å; K1118-Q1121 PolarHBondContact O-N 3.35Å; Q1121-N1124 PolarHBondContact O-N 3.47Å; Q1121-C1125 WeakPolarHBondContact O-CB 3.39Å; Q1121-C1125 PolarHBondContact O-N 3.39Å
1122E86.8Confident84.7Confident121 Ų12186.1 Ų86.157%0.56540%0.397SS*.Hα-helixtrans-63.3-44.4175.2-75.3176-169.500111.4K1118 N1124 C1125 K1126K1118-E1122 WeakPolarHBondContact CE-OE1 3.16Å; K1118-E1122 PolarHBondContact O-N 2.91Å; E1122-N1124 PolarHBondContact O-N 2.98Å; E1122-C1125 PolarHBondContact O-N 2.82Å; E1122-K1126 PolarHBondContact O-N 2.89Å
1123K86.6Confident85.1Confident139 Ų13990.5 Ų90.560%0.60441%0.41SS*.Hα-helixtrans-60.1-45.8174.7-175.7179.4178.8-179.10111.7E1119 I1120 C1125 K1126 I1127E1119-K1123 WeakPolarHBondContact O-CB 3.42Å; E1119-K1123 PolarHBondContact O-N 2.94Å; I1120-K1123 PolarHBondContact O-N 3.5Å; K1123-C1125 PolarHBondContact O-N 3.38Å; K1123-K1126 PolarHBondContact O-N 3.37Å; K1123-I1127 HydrophobicContact CG-CD1 4.05Å; K1123-I1127 WeakPolarHBondContact O-CG1 3.36Å; K1123-I1127 PolarHBondContact O-N 3.16Å
1124N85.9Confident85.5Confident8 Ų897.9 Ų97.94%0.04344%0.437CS..Hα-helixtrans-63.8-39.9178.8-81.2-7.1000111.6Q1090 D1097 I1120 Q1121 E1122 I1127 F1128Q1090-N1124 PolarHBondContact NE2-O 3.06Å; D1097-N1124 PolarHBondContact OD2-ND2 3.46Å; I1120-N1124 WeakPolarHBondContact O-CB 3.29Å; I1120-N1124 VanDerWaalsContact O-CG 3.26Å; I1120-N1124 PolarHBondContact O-N 3.08Å; Q1121-N1124 PolarHBondContact O-N 3.47Å; E1122-N1124 PolarHBondContact O-N 2.98Å; N1124-I1127 PolarHBondContact O-N 2.81Å; N1124-F1128 PolarHBondContact O-N 2.67Å
1125C85.5Confident85.7Confident72 Ų7295 Ų9549%0.48642%0.421SS..Hα-helixtrans-62.7-42.6174.6-1700000112.1Q1121 E1122 K1123 F1128 L1129Q1121-C1125 WeakPolarHBondContact O-CB 3.39Å; Q1121-C1125 PolarHBondContact O-N 3.39Å; E1122-C1125 PolarHBondContact O-N 2.82Å; K1123-C1125 PolarHBondContact O-N 3.38Å; C1125-F1128 PolarHBondContact O-N 2.79Å; C1125-L1129 WeakPolarHBondContact O-CG 3.39Å; C1125-L1129 PolarHBondContact O-N 3.04Å
1126K88.1Confident85.7Confident142 Ų14289.6 Ų89.662%0.61741%0.413SS*.Hα-helixtrans-62.1-48.3176.9-172.2178.9179-178.10111.8E1122 K1123 F1128 L1129 D1130E1122-K1126 PolarHBondContact O-N 2.89Å; K1123-K1126 PolarHBondContact O-N 3.37Å; K1126-F1128 VanDerWaalsContact C-N 3.29Å; K1126-F1128 PolarHBondContact O-N 2.87Å; K1126-L1129 PolarHBondContact O-N 2.91Å; K1126-D1130 PolarHBondContact O-N 3.45Å
1127I85.5Confident85.9Confident52 Ų5289.7 Ų89.727%0.26742%0.42SS..Hα-helixtrans-57.9-44.5178.1-67.2166.7000110.6K1123 N1124 L1129 D1130 E1131K1123-I1127 HydrophobicContact CG-CD1 4.05Å; K1123-I1127 WeakPolarHBondContact O-CG1 3.36Å; K1123-I1127 PolarHBondContact O-N 3.16Å; N1124-I1127 PolarHBondContact O-N 2.81Å; I1127-L1129 PolarHBondContact O-N 2.98Å; I1127-D1130 PolarHBondContact O-N 2.95Å; I1127-E1131 HydrophobicContact CG2-CG 4.37Å; I1127-E1131 WeakPolarHBondContact O-CB 3.49Å; I1127-E1131 WeakPolarHBondContact O-CG 3.48Å; I1127-E1131 PolarHBondContact O-N 3.4Å
1128F87.6Confident86Confident32 Ų3293.2 Ų93.214%0.1443%0.434CS..Hα-helixtrans-61.6-41.6177.7178.1-106000113.2L1086 R1087 Q1090 N1124 C1125 K1126 D1130 R1132L1086-F1128 HydrophobicContact CD2-CE2 4.17Å; L1086-F1128 HydrophobicContact CG-CD2 4.27Å; L1086-F1128 HydrophobicContact CG-CE2 3.94Å; R1087-F1128 HydrophobicContact CB-CE2 4.44Å; R1087-F1128 HydrophobicContact CB-CZ 4.44Å; R1087-F1128 HydrophobicContact CG-CZ 4.36Å; Q1090-F1128 HydrophobicContact CB-CD2 3.63Å; Q1090-F1128 HydrophobicContact CB-CE2 4.13Å; Q1090-F1128 HydrophobicContact CB-CG 4.4Å; Q1090-F1128 HydrophobicContact CG-CB 3.79Å; Q1090-F1128 HydrophobicContact CG-CD2 3.61Å; Q1090-F1128 HydrophobicContact CG-CE2 4.44Å; Q1090-F1128 HydrophobicContact CG-CG 3.87Å; N1124-F1128 PolarHBondContact O-N 2.67Å; C1125-F1128 PolarHBondContact O-N 2.79Å; K1126-F1128 VanDerWaalsContact C-N 3.29Å; K1126-F1128 PolarHBondContact O-N 2.87Å; F1128-D1130 VanDerWaalsContact C-N 3.34Å; F1128-R1132 WeakPolarHBondContact O-CB 3.34Å; F1128-R1132 PolarHBondContact O-N 2.59Å
1129L86.9Confident86Confident74 Ų7487.7 Ų87.739%0.38741%0.41SS..Hα-helixtrans-65.3-39.1177.3-72.4172.9000112C1125 K1126 I1127 R1133C1125-L1129 WeakPolarHBondContact O-CG 3.39Å; C1125-L1129 PolarHBondContact O-N 3.04Å; K1126-L1129 PolarHBondContact O-N 2.91Å; I1127-L1129 PolarHBondContact O-N 2.98Å; L1129-R1133 WeakPolarHBondContact O-CG 3.27Å; L1129-R1133 PolarHBondContact O-N 2.79Å
1130D87.4Confident86Confident80 Ų8091 Ų9143%0.42842%0.419SS..Hα-helixtrans-69.6-44178.1-70.2-22.6000111.3K1126 I1127 F1128 R1132 R1133 R1134K1126-D1130 PolarHBondContact O-N 3.45Å; I1127-D1130 PolarHBondContact O-N 2.95Å; F1128-D1130 VanDerWaalsContact C-N 3.34Å; D1130-R1132 VanDerWaalsContact C-N 3.35Å; D1130-R1132 PolarHBondContact O-N 3.09Å; D1130-R1133 PolarHBondContact O-N 3.28Å; D1130-R1134 WeakPolarHBondContact O-CB 3.42Å; D1130-R1134 PolarHBondContact O-N 2.81Å
1131E84.7Confident86Confident87 Ų8794.7 Ų94.741%0.40743%0.429SS..Hα-helixtrans-62.1-42173.9-76.9-177.8170.300111.7L1086 I1127 R1133 R1134 L1135L1086-E1131 HydrophobicContact CD1-CB 4.21Å; L1086-E1131 WeakPolarHBondContact CD1-OE2 3.3Å; L1086-E1131 HydrophobicContact CD2-CB 4.35Å; I1127-E1131 HydrophobicContact CG2-CG 4.37Å; I1127-E1131 WeakPolarHBondContact O-CB 3.49Å; I1127-E1131 WeakPolarHBondContact O-CG 3.48Å; I1127-E1131 PolarHBondContact O-N 3.4Å; E1131-R1133 PolarHBondContact O-N 3.23Å; E1131-R1134 PolarHBondContact O-N 2.9Å; E1131-L1135 WeakPolarHBondContact O-CB 3.39Å; E1131-L1135 PolarHBondContact O-N 3.12Å
1132R86.6Confident85.9Confident113 Ų11390.5 Ų90.543%0.42641%0.409SS..Hα-helixtrans-60.6-42.9176-174.3-177137.1174.8-5.4112F1083 L1086 F1128 D1130 A1136F1083-R1132 HydrophobicContact CD2-CG 4.32Å; F1083-R1132 HydrophobicContact CE2-CG 3.4Å; F1083-R1132 VanDerWaalsContact CE2-CG 3.4Å; F1083-R1132 HydrophobicContact CZ-CG 4Å; L1086-R1132 HydrophobicContact CD2-CB 4.37Å; F1128-R1132 WeakPolarHBondContact O-CB 3.34Å; F1128-R1132 PolarHBondContact O-N 2.59Å; D1130-R1132 VanDerWaalsContact C-N 3.35Å; D1130-R1132 PolarHBondContact O-N 3.09Å; R1132-A1136 PolarHBondContact O-N 2.84Å; R1132-A1136 VanDerWaalsContact O-N 3.11Å
1133R86.9Confident85.8Confident179 Ų17988.2 Ų88.268%0.67540%0.398SS*.Hα-helixtrans-65.2-42.3175.2-76.5-179.2-164.1178.35.4111.4L1129 D1130 E1131 A1136 L1137L1129-R1133 WeakPolarHBondContact O-CG 3.27Å; L1129-R1133 PolarHBondContact O-N 2.79Å; D1130-R1133 PolarHBondContact O-N 3.28Å; E1131-R1133 PolarHBondContact O-N 3.23Å; R1133-A1136 PolarHBondContact O-N 3.16Å; R1133-L1137 WeakPolarHBondContact O-CB 3.33Å; R1133-L1137 PolarHBondContact O-N 2.75Å
1134R86.7Confident85.8Confident199 Ų19986.1 Ų86.175%0.75139%0.394SS*.Hα-helixtrans-62.1-42.8178.3-173.8179173.3176.3-2.4111.5D1130 E1131 L1137 K1138D1130-R1134 WeakPolarHBondContact O-CB 3.42Å; D1130-R1134 PolarHBondContact O-N 2.81Å; E1131-R1134 PolarHBondContact O-N 2.9Å; R1134-L1137 PolarHBondContact O-N 3.46Å; R1134-K1138 WeakPolarHBondContact O-CB 3.36Å; R1134-K1138 PolarHBondContact O-N 2.91Å
1135L85.7Confident85.8Confident33 Ų3387.4 Ų87.417%0.17340%0.4CS..Hα-helixtrans-64.3-45177.9-164.270.6000111.8E1082 L1086 E1131 L1137 K1138 H1139E1082-L1135 HydrophobicContact CB-CD2 4.08Å; E1082-L1135 WeakPolarHBondContact OE2-CD1 3.32Å; L1086-L1135 HydrophobicContact CD2-CD2 4.33Å; E1131-L1135 WeakPolarHBondContact O-CB 3.39Å; E1131-L1135 PolarHBondContact O-N 3.12Å; L1135-L1137 VanDerWaalsContact C-N 3.35Å; L1135-L1137 PolarHBondContact O-N 3.01Å; L1135-K1138 PolarHBondContact O-N 2.8Å; L1135-H1139 PolarHBondContact O-N 2.86Å
1136A84.8Confident85.8Confident57 Ų5784.1 Ų84.147%0.47138%0.378SS..Hα-helixtrans-63.1-39.4176.600000112.5R1132 R1133 R1140R1132-A1136 PolarHBondContact O-N 2.84Å; R1132-A1136 VanDerWaalsContact O-N 3.11Å; R1133-A1136 PolarHBondContact O-N 3.16Å; A1136-R1140 WeakPolarHBondContact O-CB 3.29Å; A1136-R1140 PolarHBondContact O-N 2.66Å
1137L86.3Confident85.8Confident96 Ų9679.4 Ų79.450%0.50336%0.361SS..Hα-helixtrans-69.5-39.2176.7-168.272.4000111.9R1133 R1134 L1135 R1141R1133-L1137 WeakPolarHBondContact O-CB 3.33Å; R1133-L1137 PolarHBondContact O-N 2.75Å; R1134-L1137 PolarHBondContact O-N 3.46Å; L1135-L1137 VanDerWaalsContact C-N 3.35Å; L1135-L1137 PolarHBondContact O-N 3.01Å; L1137-R1141 WeakPolarHBondContact O-CG 3.34Å; L1137-R1141 PolarHBondContact O-N 2.92Å
1138K85Confident85.9Confident94 Ų9483 Ų8341%0.40938%0.375SS..Hα-helixtrans-57.9-55.8173.5-177.1-173.6176.4-169.90109.1R1134 L1135 R1140 R1141 Q1142R1134-K1138 WeakPolarHBondContact O-CB 3.36Å; R1134-K1138 PolarHBondContact O-N 2.91Å; L1135-K1138 PolarHBondContact O-N 2.8Å; K1138-R1140 VanDerWaalsContact C-N 3.35Å; K1138-R1140 PolarHBondContact O-N 3.43Å; K1138-R1141 WeakPolarHBondContact O-CB 3.28Å; K1138-R1141 PolarHBondContact O-N 2.77Å; K1138-Q1142 WeakPolarHBondContact O-CG 3.28Å; K1138-Q1142 PolarHBondContact O-N 3.13Å; K1138-Q1142 VanDerWaalsContact O-N 3.08Å
1139H83.9Confident85.8Confident10 Ų1082.6 Ų82.65%0.04637%0.374CS..Hα-helixtrans-61.6-40.2-176.2-165.5-89.6000113M1075 L1079 L1135 R1141 Q1142 E1143M1075-H1139 WeakPolarHBondContact CG-NE2 3.34Å; M1075-H1139 PolarHBondContact O-NE2 2.93Å; L1079-H1139 HydrophobicContact CD1-CB 3.75Å; L1079-H1139 HydrophobicContact CD2-CB 4.38Å; L1135-H1139 PolarHBondContact O-N 2.86Å; H1139-R1141 VanDerWaalsContact C-N 3.29Å; H1139-R1141 PolarHBondContact O-N 2.88Å; H1139-Q1142 WeakPolarHBondContact O-CA 3.36Å; H1139-Q1142 WeakPolarHBondContact O-CB 3.38Å; H1139-Q1142 PolarHBondContact O-N 3.45Å; H1139-E1143 PolarHBondContact O-N 3.26Å
1140R85.5Confident85.9Confident161 Ų16179.2 Ų79.261%0.60836%0.356SS*.Hα-helixtrans-56.3-41.8172.8-175.6177.8175.8177.31.8112.5A1136 K1138 E1143 D1144A1136-R1140 WeakPolarHBondContact O-CB 3.29Å; A1136-R1140 PolarHBondContact O-N 2.66Å; K1138-R1140 VanDerWaalsContact C-N 3.35Å; K1138-R1140 PolarHBondContact O-N 3.43Å; R1140-E1143 PolarHBondContact O-N 3.41Å; R1140-D1144 VanDerWaalsContact O-CG 3.28Å; R1140-D1144 PolarHBondContact O-N 3.46Å
1141R85.3Confident86Confident134 Ų13480.7 Ų80.751%0.50636%0.36SS..Hα-helixtrans-66-37.7175.2-69.8-179.4-178.6-173.7-1.2112.3L1137 K1138 H1139 M1145L1137-R1141 WeakPolarHBondContact O-CG 3.34Å; L1137-R1141 PolarHBondContact O-N 2.92Å; K1138-R1141 WeakPolarHBondContact O-CB 3.28Å; K1138-R1141 PolarHBondContact O-N 2.77Å; H1139-R1141 VanDerWaalsContact C-N 3.29Å; H1139-R1141 PolarHBondContact O-N 2.88Å; R1141-M1145 HydrophobicContact CB-CE 4.07Å; R1141-M1145 WeakPolarHBondContact O-CB 3.17Å; R1141-M1145 VanDerWaalsContact O-CE 3.27Å; R1141-M1145 WeakPolarHBondContact O-CE 3.5Å; R1141-M1145 WeakPolarHBondContact O-CG 3.37Å; R1141-M1145 PolarHBondContact O-N 3.37Å
1142Q82.2Confident86.2Confident18 Ų1881 Ų818%0.08436%0.362CS..Hα-helixtrans-65.9-39.4176-49.5-172-7300111.2V909 M1075 K1138 H1139 M1145 L1146V909-Q1142 HydrophobicContact CG1-CB 4.02Å; V909-Q1142 HydrophobicContact CG1-CG 3.56Å; M1075-Q1142 HydrophobicContact CE-CB 4.4Å; M1075-Q1142 HydrophobicContact SD-CB 4.27Å; K1138-Q1142 WeakPolarHBondContact O-CG 3.28Å; K1138-Q1142 PolarHBondContact O-N 3.13Å; K1138-Q1142 VanDerWaalsContact O-N 3.08Å; H1139-Q1142 WeakPolarHBondContact O-CA 3.36Å; H1139-Q1142 WeakPolarHBondContact O-CB 3.38Å; H1139-Q1142 PolarHBondContact O-N 3.45Å; Q1142-M1145 PolarHBondContact O-N 3.2Å; Q1142-L1146 WeakPolarHBondContact O-CB 3.48Å; Q1142-L1146 PolarHBondContact O-N 3.46Å
1143E84.5Confident86.3Confident72 Ų7276.5 Ų76.534%0.33635%0.346SS..Hα-helixtrans-64.9-46.7175.6-171.6172-15600111.3H1139 R1140 M1145 L1146 V1147H1139-E1143 PolarHBondContact O-N 3.26Å; R1140-E1143 PolarHBondContact O-N 3.41Å; E1143-M1145 VanDerWaalsContact C-N 3.33Å; E1143-M1145 PolarHBondContact O-N 2.93Å; E1143-L1146 PolarHBondContact O-N 3.1Å; E1143-V1147 WeakPolarHBondContact O-CG2 3.49Å; E1143-V1147 PolarHBondContact O-N 3.14Å
1144D86.9Confident86.4Confident96 Ų9669.8 Ų69.851%0.51332%0.322SS..Hα-helixtrans-60.8-41.3176.9-69.1-23.5000111.4R1140 K1148R1140-D1144 VanDerWaalsContact O-CG 3.28Å; R1140-D1144 PolarHBondContact O-N 3.46Å; D1144-K1148 PolarHBondContact O-N 3.26Å; D1144-K1148 VanDerWaalsContact O-N 3.16Å
1145M85.5Confident86.6Confident35 Ų3566.3 Ų66.317%0.17231%0.314CS..Hα-helixtrans-67.7-41.2175.4-81-175.2-88.700113D906 V909 L910 R1141 Q1142 E1143 V1147 K1148 L1149D906-M1145 HydrophobicContact CB-SD 4.24Å; V909-M1145 HydrophobicContact CB-CE 3.6Å; V909-M1145 HydrophobicContact CB-SD 4.17Å; V909-M1145 HydrophobicContact CG1-CE 3.39Å; V909-M1145 HydrophobicContact CG1-SD 4.08Å; V909-M1145 HydrophobicContact CG2-CE 3.95Å; L910-M1145 HydrophobicContact CD1-SD 4.4Å; R1141-M1145 HydrophobicContact CB-CE 4.07Å; R1141-M1145 WeakPolarHBondContact O-CB 3.17Å; R1141-M1145 VanDerWaalsContact O-CE 3.27Å; R1141-M1145 WeakPolarHBondContact O-CE 3.5Å; R1141-M1145 WeakPolarHBondContact O-CG 3.37Å; R1141-M1145 PolarHBondContact O-N 3.37Å; Q1142-M1145 PolarHBondContact O-N 3.2Å; E1143-M1145 VanDerWaalsContact C-N 3.33Å; E1143-M1145 PolarHBondContact O-N 2.93Å; M1145-V1147 VanDerWaalsContact C-N 3.33Å; M1145-V1147 PolarHBondContact O-N 3.44Å; M1145-K1148 PolarHBondContact O-N 3.1Å; M1145-L1149 WeakPolarHBondContact O-CB 3.37Å; M1145-L1149 PolarHBondContact O-N 3.37Å
1146L86.1Confident86.8Confident3 Ų368.9 Ų68.92%0.01633%0.326CS..Hα-helixtrans-60.4-45.1176.3178.667.1000110.8I913 Q1071 R1072 M1075 Q1142 E1143 K1148 L1149 Q1150I913-L1146 HydrophobicContact CD1-CB 4.11Å; I913-L1146 HydrophobicContact CG2-CD1 3.39Å; Q1071-L1146 HydrophobicContact CB-CD2 4.46Å; R1072-L1146 HydrophobicContact CG-CD2 3.9Å; M1075-L1146 HydrophobicContact CE-CB 3.99Å; M1075-L1146 HydrophobicContact CE-CD1 4.47Å; M1075-L1146 HydrophobicContact CE-CD2 3.71Å; M1075-L1146 HydrophobicContact CE-CG 4.27Å; M1075-L1146 HydrophobicContact SD-CB 4.29Å; M1075-L1146 HydrophobicContact SD-CD2 3.83Å; Q1142-L1146 WeakPolarHBondContact O-CB 3.48Å; Q1142-L1146 PolarHBondContact O-N 3.46Å; E1143-L1146 PolarHBondContact O-N 3.1Å; L1146-K1148 VanDerWaalsContact C-N 3.34Å; L1146-K1148 PolarHBondContact O-N 3.11Å; L1146-L1149 PolarHBondContact O-N 3.49Å; L1146-Q1150 HydrophobicContact CD1-CG 4.22Å; L1146-Q1150 HydrophobicContact CG-CG 4.35Å; L1146-Q1150 WeakPolarHBondContact O-CB 3.31Å; L1146-Q1150 WeakPolarHBondContact O-CG 3.41Å; L1146-Q1150 PolarHBondContact O-N 2.98Å
1147V87.3Confident87Confident43 Ų4366.3 Ų66.326%0.26130%0.304SS..Hα-helixtrans-60.8-45.6178.8172.20000110.7E1143 M1145 L1149 Q1150 E1151E1143-V1147 WeakPolarHBondContact O-CG2 3.49Å; E1143-V1147 PolarHBondContact O-N 3.14Å; M1145-V1147 VanDerWaalsContact C-N 3.33Å; M1145-V1147 PolarHBondContact O-N 3.44Å; V1147-L1149 PolarHBondContact O-N 3.32Å; V1147-Q1150 PolarHBondContact O-N 3.5Å; V1147-E1151 WeakPolarHBondContact O-CG 3.35Å; V1147-E1151 PolarHBondContact O-N 2.86Å
1148K88.2Confident87.2Confident128 Ų12865.9 Ų65.956%0.55730%0.299SS*.Hα-helixtrans-61.5-44.6177.7-168.6-175.3177.1-161.70112.2D1144 M1145 L1146 Q1150 E1151 E1152D1144-K1148 PolarHBondContact O-N 3.26Å; D1144-K1148 VanDerWaalsContact O-N 3.16Å; M1145-K1148 PolarHBondContact O-N 3.1Å; L1146-K1148 VanDerWaalsContact C-N 3.34Å; L1146-K1148 PolarHBondContact O-N 3.11Å; K1148-Q1150 VanDerWaalsContact C-N 3.31Å; K1148-Q1150 PolarHBondContact O-N 3.21Å; K1148-E1151 WeakPolarHBondContact O-CB 3.29Å; K1148-E1151 PolarHBondContact O-N 3.06Å; K1148-E1152 VanDerWaalsContact CE-OE1 3.3Å; K1148-E1152 WeakPolarHBondContact CE-OE1 3.48Å; K1148-E1152 IonicContact NZ-OE1 3.14Å; K1148-E1152 WeakPolarHBondContact O-CG 3.43Å; K1148-E1152 PolarHBondContact O-N 3.4Å
1149L86.5Confident87.5Confident22 Ų2268.4 Ų68.412%0.11531%0.31CS..Hα-helixtrans-62.5-40.1177.2-173.468.5000111.6I913 L915 M1145 L1146 V1147 E1151 E1152 Q1153I913-L1149 HydrophobicContact CG2-CD2 3.77Å; L915-L1149 HydrophobicContact CD2-CD1 4.06Å; L915-L1149 HydrophobicContact CD2-CD2 4.41Å; L915-L1149 HydrophobicContact CD2-CG 4.5Å; L915-L1149 HydrophobicContact CG-CD2 4.28Å; M1145-L1149 WeakPolarHBondContact O-CB 3.37Å; M1145-L1149 PolarHBondContact O-N 3.37Å; L1146-L1149 PolarHBondContact O-N 3.49Å; V1147-L1149 PolarHBondContact O-N 3.32Å; L1149-E1151 VanDerWaalsContact C-N 3.34Å; L1149-E1152 PolarHBondContact O-N 3.46Å; L1149-Q1153 VanDerWaalsContact O-CG 3.32Å; L1149-Q1153 WeakPolarHBondContact O-CG 3.13Å; L1149-Q1153 PolarHBondContact O-N 3.49Å
1150Q88.8Confident87.8Confident3 Ų371.5 Ų71.51%0.01433%0.325CS..Hα-helixtrans-66-35.6176.9-72.4-180-15.300112.2H1068 L1146 V1147 K1148 M1154H1068-Q1150 VanDerWaalsContact CA-NE2 3.35Å; H1068-Q1150 HydrophobicContact CB-CG 4.25Å; H1068-Q1150 PolarHBondContact CE1-O 3.21Å; H1068-Q1150 VanDerWaalsContact CE1-O 3.22Å; H1068-Q1150 PolarHBondContact O-NE2 2.85Å; H1068-Q1150 VanDerWaalsContact O-NE2 3.08Å; L1146-Q1150 HydrophobicContact CD1-CG 4.22Å; L1146-Q1150 HydrophobicContact CG-CG 4.35Å; L1146-Q1150 WeakPolarHBondContact O-CB 3.31Å; L1146-Q1150 WeakPolarHBondContact O-CG 3.41Å; L1146-Q1150 PolarHBondContact O-N 2.98Å; V1147-Q1150 PolarHBondContact O-N 3.5Å; K1148-Q1150 VanDerWaalsContact C-N 3.31Å; K1148-Q1150 PolarHBondContact O-N 3.21Å; Q1150-M1154 PolarHBondContact O-N 3.34Å
1151E89.3Confident88.1Confident112 Ų11264 Ų6452%0.52330%0.298SS..Hα-helixtrans-65.2-45.2172.3-73.6174.6-179.400111.7V1147 K1148 L1149 Q1153 M1154 Q1155V1147-E1151 WeakPolarHBondContact O-CG 3.35Å; V1147-E1151 PolarHBondContact O-N 2.86Å; K1148-E1151 WeakPolarHBondContact O-CB 3.29Å; K1148-E1151 PolarHBondContact O-N 3.06Å; L1149-E1151 VanDerWaalsContact C-N 3.34Å; E1151-Q1153 PolarHBondContact O-N 3.3Å; E1151-M1154 PolarHBondContact O-N 3.21Å; E1151-Q1155 WeakPolarHBondContact O-CG 3.18Å; E1151-Q1155 PolarHBondContact O-N 2.85Å
1152E88.8Confident88.4Confident94 Ų9462.6 Ų62.644%0.43930%0.3SS..Hα-helixtrans-62-42.2176.6-71171.6-174.200111.7K1148 L1149 M1154 Q1155 Q1156K1148-E1152 VanDerWaalsContact CE-OE1 3.3Å; K1148-E1152 WeakPolarHBondContact CE-OE1 3.48Å; K1148-E1152 IonicContact NZ-OE1 3.14Å; K1148-E1152 WeakPolarHBondContact O-CG 3.43Å; K1148-E1152 PolarHBondContact O-N 3.4Å; L1149-E1152 PolarHBondContact O-N 3.46Å; E1152-M1154 VanDerWaalsContact C-N 3.33Å; E1152-M1154 PolarHBondContact O-N 3.15Å; E1152-Q1155 PolarHBondContact O-N 3.34Å; E1152-Q1156 PolarHBondContact O-N 2.69Å
1153Q88.2Confident88.8Confident18 Ų1863.4 Ų63.48%0.08431%0.313CS..Hα-helixtrans-62.3-38.8174.4-74.1179.8-48.200112.5V916 L1064 H1068 L1149 E1151 Q1156 V1157V916-Q1153 PolarHBondContact O-NE2 2.98Å; L1064-Q1153 HydrophobicContact CD2-CB 4.42Å; H1068-Q1153 PolarHBondContact NE2-OE1 3.01Å; L1149-Q1153 VanDerWaalsContact O-CG 3.32Å; L1149-Q1153 WeakPolarHBondContact O-CG 3.13Å; L1149-Q1153 PolarHBondContact O-N 3.49Å; E1151-Q1153 PolarHBondContact O-N 3.3Å; Q1153-Q1156 PolarHBondContact O-N 2.7Å; Q1153-V1157 WeakPolarHBondContact O-CG2 3.18Å; Q1153-V1157 PolarHBondContact O-N 3.23Å; Q1153-V1157 VanDerWaalsContact O-N 3.11Å
1154M90Very high89.1Confident37 Ų3761.2 Ų61.218%0.18231%0.307CS..Hα-helixtrans-65.2-46177-166.361.558.800110.6L1064 I1065 Q1150 E1151 E1152 Q1156 V1157 E1158L1064-M1154 HydrophobicContact CB-CE 4.49Å; L1064-M1154 HydrophobicContact CD2-CE 3.93Å; L1064-M1154 HydrophobicContact CD2-SD 4.38Å; L1064-M1154 HydrophobicContact CG-CE 4.18Å; I1065-M1154 HydrophobicContact CD1-CE 4.47Å; I1065-M1154 HydrophobicContact CG1-CE 3.66Å; Q1150-M1154 PolarHBondContact O-N 3.34Å; E1151-M1154 PolarHBondContact O-N 3.21Å; E1152-M1154 VanDerWaalsContact C-N 3.33Å; E1152-M1154 PolarHBondContact O-N 3.15Å; M1154-Q1156 VanDerWaalsContact C-N 3.28Å; M1154-Q1156 PolarHBondContact O-N 2.77Å; M1154-V1157 PolarHBondContact O-N 2.98Å; M1154-E1158 WeakPolarHBondContact O-CG 3.27Å; M1154-E1158 PolarHBondContact O-N 3.21Å
1155Q90.5Very high89.3Confident126 Ų12658.5 Ų58.559%0.58929%0.292SS*.Hα-helixtrans-59.9-38.7177-70.7175.712.100112.2E1151 E1152 E1158 K1159E1151-Q1155 WeakPolarHBondContact O-CG 3.18Å; E1151-Q1155 PolarHBondContact O-N 2.85Å; E1152-Q1155 PolarHBondContact O-N 3.34Å; Q1155-E1158 PolarHBondContact O-N 3.1Å; Q1155-K1159 WeakPolarHBondContact O-CB 3.09Å; Q1155-K1159 PolarHBondContact O-N 3.41Å
1156Q89.4Confident89.6Confident88 Ų8862.6 Ų62.641%0.41131%0.311SS..Hα-helixtrans-64.4-43.4176.5-175.460.225.100111.9E1152 Q1153 M1154 E1158 K1159 E1160E1152-Q1156 PolarHBondContact O-N 2.69Å; Q1153-Q1156 PolarHBondContact O-N 2.7Å; M1154-Q1156 VanDerWaalsContact C-N 3.28Å; M1154-Q1156 PolarHBondContact O-N 2.77Å; Q1156-E1158 VanDerWaalsContact C-N 3.29Å; Q1156-E1158 PolarHBondContact O-N 3.28Å; Q1156-K1159 PolarHBondContact O-N 3.13Å; Q1156-E1160 PolarHBondContact NE2-OE1 2.72Å; Q1156-E1160 WeakPolarHBondContact O-CG 3.42Å; Q1156-E1160 PolarHBondContact O-N 3.45Å
1157V89Confident89.8Confident3 Ų367.4 Ų67.42%0.01834%0.336CS..Hα-helixtrans-62-37.7174.7169.50000111.7I918 W1057 V1060 K1061 L1064 Q1153 M1154 A1161I918-V1157 HydrophobicContact CD1-CG2 3.84Å; I918-V1157 HydrophobicContact CG1-CG2 3.81Å; W1057-V1157 HydrophobicContact CE3-CG1 4.07Å; W1057-V1157 HydrophobicContact CZ3-CG1 4.13Å; V1060-V1157 HydrophobicContact CG1-CG1 3.99Å; V1060-V1157 HydrophobicContact CG1-CG2 4.46Å; K1061-V1157 HydrophobicContact CG-CG1 3.73Å; L1064-V1157 HydrophobicContact CD2-CG2 3.74Å; Q1153-V1157 WeakPolarHBondContact O-CG2 3.18Å; Q1153-V1157 PolarHBondContact O-N 3.23Å; Q1153-V1157 VanDerWaalsContact O-N 3.11Å; M1154-V1157 PolarHBondContact O-N 2.98Å; V1157-A1161 VanDerWaalsContact O-CB 3.3Å; V1157-A1161 WeakPolarHBondContact O-CB 3.42Å; V1157-A1161 PolarHBondContact O-N 3.23Å
1158E91.1Very high90Very high86 Ų8667.2 Ų67.240%0.40233%0.333SS..Hα-helixtrans-64.6-46.8175.5-65.8-165.5140.300111.8K1061 M1154 Q1155 Q1156 E1160 A1161 D1162K1061-E1158 IonicContact NZ-OE1 2.73Å; K1061-E1158 PolarHBondContact NZ-OE1 3.24Å; M1154-E1158 WeakPolarHBondContact O-CG 3.27Å; M1154-E1158 PolarHBondContact O-N 3.21Å; Q1155-E1158 PolarHBondContact O-N 3.1Å; Q1156-E1158 VanDerWaalsContact C-N 3.29Å; Q1156-E1158 PolarHBondContact O-N 3.28Å; E1158-E1160 VanDerWaalsContact C-N 3.34Å; E1158-E1160 PolarHBondContact O-N 3.48Å; E1158-A1161 PolarHBondContact O-N 2.8Å; E1158-D1162 PolarHBondContact O-N 3.5Å
1159K91Very high90.1Very high148 Ų14865.6 Ų65.664%0.64333%0.327SS*.Hα-helixtrans-61.6-41.1178.2-172.9-179.8178.2-175.40112.6Q1155 Q1156 G1163Q1155-K1159 WeakPolarHBondContact O-CB 3.09Å; Q1155-K1159 PolarHBondContact O-N 3.41Å; Q1156-K1159 PolarHBondContact O-N 3.13Å; K1159-G1163 PolarHBondContact O-N 3.19Å
1160E90.4Very high90.2Very high75 Ų7569.5 Ų69.535%0.3535%0.345SS..Hα-helixtrans-71.4-35.4177.5-73.2-175.9-14900112.7I918 W1057 Q1156 E1158 G1163 A1164I918-E1160 HydrophobicContact CD1-CG 4.42Å; I918-E1160 WeakPolarHBondContact CD1-OE1 3.2Å; I918-E1160 WeakPolarHBondContact CD1-OE2 3.26Å; W1057-E1160 HydrophobicContact CH2-CB 3.68Å; W1057-E1160 HydrophobicContact CZ2-CB 4.23Å; W1057-E1160 HydrophobicContact CZ3-CB 4.23Å; Q1156-E1160 PolarHBondContact NE2-OE1 2.72Å; Q1156-E1160 WeakPolarHBondContact O-CG 3.42Å; Q1156-E1160 PolarHBondContact O-N 3.45Å; E1158-E1160 VanDerWaalsContact C-N 3.34Å; E1158-E1160 PolarHBondContact O-N 3.48Å; E1160-G1163 PolarHBondContact O-N 3.16Å; E1160-A1164 WeakPolarHBondContact O-CB 3.41Å; E1160-A1164 PolarHBondContact O-N 2.97Å
1161A91.3Very high90.1Very high4 Ų472.8 Ų72.83%0.03337%0.365CS..Hα-helixtrans-62-45.1173.400000111.6W1057 V1157 E1158 A1164 L1165W1057-A1161 HydrophobicContact CB-CB 3.77Å; W1057-A1161 HydrophobicContact CD2-CB 3.64Å; W1057-A1161 HydrophobicContact CE3-CB 3.94Å; W1057-A1161 HydrophobicContact CG-CB 3.56Å; V1157-A1161 VanDerWaalsContact O-CB 3.3Å; V1157-A1161 WeakPolarHBondContact O-CB 3.42Å; V1157-A1161 PolarHBondContact O-N 3.23Å; E1158-A1161 PolarHBondContact O-N 2.8Å; A1161-A1164 PolarHBondContact O-N 2.79Å; A1161-L1165 PolarHBondContact O-N 3.27Å; A1161-L1165 VanDerWaalsContact O-N 3.15Å
1162D91.3Very high90.2Very high104 Ų10469.4 Ų69.456%0.55635%0.348SS*.Hα-helixtrans-64.6-44.7177.4-68-18.3000111.1E1158 A1164 L1165 E1166E1158-D1162 PolarHBondContact O-N 3.5Å; D1162-A1164 VanDerWaalsContact C-N 3.34Å; D1162-A1164 PolarHBondContact O-N 3.35Å; D1162-L1165 PolarHBondContact O-N 2.96Å; D1162-E1166 PolarHBondContact O-N 2.96Å
1163G91Very high90.1Very high35 Ų3569.2 Ų69.236%0.36135%0.349SS..Hα-helixtrans-62.6-36.7176.800000113.6K1159 E1160 E1166 L1167K1159-G1163 PolarHBondContact O-N 3.19Å; E1160-G1163 PolarHBondContact O-N 3.16Å; G1163-E1166 PolarHBondContact O-N 3.41Å; G1163-L1167 WeakPolarHBondContact O-CB 3.3Å; G1163-L1167 PolarHBondContact O-N 3.29Å
1164A91.1Very high89.9Confident26 Ų2675 Ų7522%0.21538%0.377CS..Hα-helixtrans-67.5-36.5175.900000112.5W1057 E1160 A1161 D1162 E1168W1057-A1164 HydrophobicContact CZ2-CB 4.29Å; E1160-A1164 WeakPolarHBondContact O-CB 3.41Å; E1160-A1164 PolarHBondContact O-N 2.97Å; A1161-A1164 PolarHBondContact O-N 2.79Å; D1162-A1164 VanDerWaalsContact C-N 3.34Å; D1162-A1164 PolarHBondContact O-N 3.35Å; A1164-E1168 PolarHBondContact O-N 3.39Å
1165L91.3Very high89.6Confident38 Ų3874.8 Ų74.820%0.19938%0.38CS..Hα-helixtrans-69.9-41.1175-73.9166.7000111.8K1050 L1053 E1054 A1161 D1162 E1168 E1169K1050-L1165 HydrophobicContact CG-CD2 3.95Å; L1053-L1165 HydrophobicContact CB-CD2 4.03Å; E1054-L1165 HydrophobicContact CG-CD1 4.24Å; E1054-L1165 HydrophobicContact CG-CD2 3.88Å; A1161-L1165 PolarHBondContact O-N 3.27Å; A1161-L1165 VanDerWaalsContact O-N 3.15Å; D1162-L1165 PolarHBondContact O-N 2.96Å; L1165-E1168 PolarHBondContact O-N 2.9Å; L1165-E1169 PolarHBondContact O-N 3.12Å
1166E90.5Very high89.1Confident121 Ų12171.1 Ų71.157%0.56537%0.365SS*.Hα-helixtrans-64.2-41.1177.3-168.3174.9-16900111.6D1162 G1163 E1168 E1169 Q1170D1162-E1166 PolarHBondContact O-N 2.96Å; G1163-E1166 PolarHBondContact O-N 3.41Å; E1166-E1168 PolarHBondContact O-N 2.78Å; E1166-E1169 PolarHBondContact O-N 3.21Å; E1166-Q1170 WeakPolarHBondContact O-CG 3.42Å; E1166-Q1170 PolarHBondContact O-N 3.34Å
1167L90.7Very high88.5Confident104 Ų10474 Ų7455%0.54538%0.382SS..Hα-helixtrans-62.6-42.6175.8-175.365.2000112.1G1163 E1169 Q1170 V1171G1163-L1167 WeakPolarHBondContact O-CB 3.3Å; G1163-L1167 PolarHBondContact O-N 3.29Å; L1167-E1169 VanDerWaalsContact C-N 3.3Å; L1167-E1169 PolarHBondContact O-N 2.98Å; L1167-Q1170 PolarHBondContact O-N 3.36Å; L1167-V1171 WeakPolarHBondContact O-CG2 3.44Å; L1167-V1171 PolarHBondContact O-N 3.32Å
1168E91Very high87.6Confident39 Ų3977.3 Ų77.318%0.18241%0.41CS..Hα-helixtrans-64.5-34.8176.3177.760.5-147.700111.9H1046 R1049 L1053 A1164 L1165 E1166 Y1172H1046-E1168 IonicContact ND1-OE1 2.67Å; H1046-E1168 PolarHBondContact ND1-OE1 2.97Å; R1049-E1168 HydrophobicContact CB-CG 4.45Å; R1049-E1168 HydrophobicContact CG-CG 4.37Å; R1049-E1168 WeakPolarHBondContact CG-OE2 3.46Å; L1053-E1168 HydrophobicContact CD1-CB 3.74Å; L1053-E1168 HydrophobicContact CD1-CG 3.99Å; A1164-E1168 PolarHBondContact O-N 3.39Å; L1165-E1168 PolarHBondContact O-N 2.9Å; E1166-E1168 PolarHBondContact O-N 2.78Å; E1168-Y1172 WeakPolarHBondContact O-CB 3.48Å; E1168-Y1172 PolarHBondContact O-N 3.16Å; E1168-Y1172 VanDerWaalsContact O-N 3.11Å
1169E91.2Very high86.5Confident94 Ų9475.7 Ų75.744%0.43941%0.405SS..Hα-helixtrans-67.4-40.5173.7-170.4159.2-177.700111.9L1165 E1166 L1167 Y1172 L1173L1165-E1169 PolarHBondContact O-N 3.12Å; E1166-E1169 PolarHBondContact O-N 3.21Å; L1167-E1169 VanDerWaalsContact C-N 3.3Å; L1167-E1169 PolarHBondContact O-N 2.98Å; E1169-Y1172 PolarHBondContact O-N 3.13Å; E1169-L1173 WeakPolarHBondContact O-CG 3.48Å; E1169-L1173 PolarHBondContact O-N 3.06Å
1170Q87.8Confident85.1Confident104 Ų10476.1 Ų76.149%0.48641%0.407SS..Hα-helixtrans-63-45.1174.1-70.9175.68.400112.2E1166 L1167 Y1172 L1173 E1174E1166-Q1170 WeakPolarHBondContact O-CG 3.42Å; E1166-Q1170 PolarHBondContact O-N 3.34Å; L1167-Q1170 PolarHBondContact O-N 3.36Å; Q1170-Y1172 VanDerWaalsContact C-N 3.27Å; Q1170-Y1172 PolarHBondContact O-N 3.12Å; Q1170-L1173 PolarHBondContact O-N 3.12Å; Q1170-E1174 WeakPolarHBondContact O-CB 3.32Å; Q1170-E1174 PolarHBondContact O-N 3.46Å
1171V87.2Confident83.7Confident73 Ų7377.4 Ų77.444%0.44242%0.422SS..Hα-helixtrans-59.8-40.3177169.90000111.1L1167 A1175L1167-V1171 WeakPolarHBondContact O-CG2 3.44Å; L1167-V1171 PolarHBondContact O-N 3.32Å; V1171-A1175 WeakPolarHBondContact O-CB 3.48Å; V1171-A1175 PolarHBondContact O-N 3.08Å
1172Y90.8Very high82Confident40 Ų4082.9 Ų82.916%0.15745%0.447CS..Hα-helixtrans-66.7-42.2176171.2-113.1000112.9L1042 E1043 H1046 E1168 E1169 Q1170 A1175 L1176L1042-Y1172 HydrophobicContact CD2-CD2 4.24Å; L1042-Y1172 HydrophobicContact CD2-CE2 4.13Å; L1042-Y1172 HydrophobicContact CG-CD2 3.92Å; L1042-Y1172 HydrophobicContact CG-CE2 3.88Å; E1043-Y1172 HydrophobicContact CG-CE2 4.3Å; E1043-Y1172 WeakPolarHBondContact CG-OH 3.41Å; H1046-Y1172 HydrophobicContact CB-CD2 3.38Å; H1046-Y1172 HydrophobicContact CB-CE2 3.92Å; H1046-Y1172 HydrophobicContact CB-CG 3.73Å; H1046-Y1172 AromaticContact CD2-CD1 3.49Å; H1046-Y1172 VanDerWaalsContact CD2-CD1 3.49Å; H1046-Y1172 WeakPolarHBondContact CD2-CD1 3.42Å; H1046-Y1172 AromaticContact CD2-CD2 3.95Å; H1046-Y1172 AromaticContact CD2-CE1 3.9Å; H1046-Y1172 AromaticContact CD2-CG 3.51Å; H1046-Y1172 AromaticContact CG-CD1 3.87Å; H1046-Y1172 AromaticContact CG-CD2 3.61Å; H1046-Y1172 AromaticContact CG-CG 3.37Å; H1046-Y1172 WeakPolarHBondContact ND1-CB 3.46Å; H1046-Y1172 AromaticContact ND1-CG 3.77Å; H1046-Y1172 AromaticContact NE2-CD1 3.77Å; H1046-Y1172 AromaticContact NE2-CG 3.99Å; E1168-Y1172 WeakPolarHBondContact O-CB 3.48Å; E1168-Y1172 PolarHBondContact O-N 3.16Å; E1168-Y1172 VanDerWaalsContact O-N 3.11Å; E1169-Y1172 PolarHBondContact O-N 3.13Å; Q1170-Y1172 VanDerWaalsContact C-N 3.27Å; Q1170-Y1172 PolarHBondContact O-N 3.12Å; Y1172-A1175 PolarHBondContact O-N 3.38Å; Y1172-L1176 HydrophobicContact CD1-CD1 4.14Å; Y1172-L1176 HydrophobicContact CD2-CG 4.47Å; Y1172-L1176 HydrophobicContact CE1-CD1 3.51Å; Y1172-L1176 HydrophobicContact CE1-CG 4.35Å; Y1172-L1176 HydrophobicContact CE2-CD1 4.03Å; Y1172-L1176 HydrophobicContact CE2-CD2 4.41Å; Y1172-L1176 HydrophobicContact CE2-CG 3.98Å; Y1172-L1176 VanDerWaalsContact CZ-CD1 3.44Å; Y1172-L1176 WeakPolarHBondContact O-CG 3.29Å; Y1172-L1176 PolarHBondContact O-N 3.29Å
1173L86.5Confident80Confident91 Ų9181.6 Ų81.648%0.47644%0.443SS..Hα-helixtrans-63.9-41.3175.7-71.7171.6000112E1169 Q1170 L1176 L1177E1169-L1173 WeakPolarHBondContact O-CG 3.48Å; E1169-L1173 PolarHBondContact O-N 3.06Å; Q1170-L1173 PolarHBondContact O-N 3.12Å; L1173-L1176 WeakPolarHBondContact O-CB 2.84Å; L1173-L1176 PolarHBondContact O-N 3.08Å; L1173-L1177 WeakPolarHBondContact O-CG 3.44Å; L1173-L1177 PolarHBondContact O-N 3.28Å
1174E84.2Confident78.1Confident140 Ų14082.6 Ų82.665%0.65444%0.44SS*.Hα-helixtrans-62.8-45.6175-173.4178.9-172.400111.2Q1170 L1176 L1177 A1178Q1170-E1174 WeakPolarHBondContact O-CB 3.32Å; Q1170-E1174 PolarHBondContact O-N 3.46Å; E1174-L1176 VanDerWaalsContact C-N 3.29Å; E1174-L1176 PolarHBondContact O-N 3Å; E1174-L1177 PolarHBondContact O-N 3.09Å; E1174-L1177 VanDerWaalsContact O-N 3.15Å; E1174-A1178 PolarHBondContact O-N 2.62Å
1175A83.7Confident75.8Confident32 Ų3290.4 Ų90.426%0.26448%0.484SS..Hα-helixtrans-61.9-37176.400000112L1042 V1171 Y1172 A1178 V1179L1042-A1175 HydrophobicContact CD1-CB 3.64Å; L1042-A1175 HydrophobicContact CD2-CB 3.66Å; L1042-A1175 HydrophobicContact CG-CB 4.24Å; V1171-A1175 WeakPolarHBondContact O-CB 3.48Å; V1171-A1175 PolarHBondContact O-N 3.08Å; Y1172-A1175 PolarHBondContact O-N 3.38Å; A1175-A1178 PolarHBondContact O-N 3.2Å; A1175-V1179 VanDerWaalsContact O-CG2 3.25Å; A1175-V1179 WeakPolarHBondContact O-CG2 3.27Å; A1175-V1179 PolarHBondContact O-N 3.14Å
1176L81Confident75Confident49 Ų4993 Ų9326%0.25750%0.498SS..Hα-helixtrans-64.3-42173-82.5173.9000112.5K1039 L1042 Y1172 L1173 E1174 A1178 V1179K1039-L1176 HydrophobicContact CG-CD2 4.14Å; L1042-L1176 HydrophobicContact CD2-CD2 3.99Å; L1042-L1176 HydrophobicContact CD2-CG 3.96Å; Y1172-L1176 HydrophobicContact CD1-CD1 4.14Å; Y1172-L1176 HydrophobicContact CD2-CG 4.47Å; Y1172-L1176 HydrophobicContact CE1-CD1 3.51Å; Y1172-L1176 HydrophobicContact CE1-CG 4.35Å; Y1172-L1176 HydrophobicContact CE2-CD1 4.03Å; Y1172-L1176 HydrophobicContact CE2-CD2 4.41Å; Y1172-L1176 HydrophobicContact CE2-CG 3.98Å; Y1172-L1176 VanDerWaalsContact CZ-CD1 3.44Å; Y1172-L1176 WeakPolarHBondContact O-CG 3.29Å; Y1172-L1176 PolarHBondContact O-N 3.29Å; L1173-L1176 WeakPolarHBondContact O-CB 2.84Å; L1173-L1176 PolarHBondContact O-N 3.08Å; E1174-L1176 VanDerWaalsContact C-N 3.29Å; E1174-L1176 PolarHBondContact O-N 3Å; L1176-A1178 PolarHBondContact O-N 3.33Å; L1176-V1179 PolarHBondContact O-N 3.17Å
1177L75.4Confident74.2Confident149 Ų14991.5 Ų91.578%0.7850%0.495SS*.Hα-helixtrans-65.3-29.8176.7-71.5169.5000112.1L1173 E1174L1173-L1177 WeakPolarHBondContact O-CG 3.44Å; L1173-L1177 PolarHBondContact O-N 3.28Å; E1174-L1177 PolarHBondContact O-N 3.09Å; E1174-L1177 VanDerWaalsContact O-N 3.15Å
1178A70.9Confident73.2Confident72 Ų7290.8 Ų90.860%0.59549%0.492SS*.Hα-helixtrans-75.8-18.3176.800000113.9E1174 A1175 L1176 K1180E1174-A1178 PolarHBondContact O-N 2.62Å; A1175-A1178 PolarHBondContact O-N 3.2Å; L1176-A1178 PolarHBondContact O-N 3.33Å; A1178-K1180 PolarHBondContact O-N 2.84Å
1179V67.1Low72.2Confident51 Ų5193.9 Ų93.931%0.30951%0.51SS..  trans-72.491.3179-172.70000110.4L1042 A1175 L1176L1042-V1179 HydrophobicContact CD2-CG2 4.35Å; A1175-V1179 VanDerWaalsContact O-CG2 3.25Å; A1175-V1179 WeakPolarHBondContact O-CG2 3.27Å; A1175-V1179 PolarHBondContact O-N 3.14Å; L1176-V1179 PolarHBondContact O-N 3.17Å
1180K63.2Low71Confident158 Ų15893.9 Ų93.969%0.68752%0.515SS*.  trans-85.7156.3166.1-67.7-177.6-178.5176.30110.2A1178 E1182A1178-K1180 PolarHBondContact O-N 2.84Å; K1180-E1182 PolarHBondContact O-N 3.35Å
1181P60.9Low69.9Low102 Ų10293.2 Ų93.266%0.66252%0.517SS*.  trans-61.299.4172.9-18.229.9000110.3T1031T1031-P1181 HydrophobicContact CG2-CB 3.93Å
1182E55Low68.6Low119 Ų11994.6 Ų94.656%0.55652%0.522SS*.  trans-85.6115.9-179.7-75.6-177168.900110.2T1031 K1180T1031-E1182 WeakPolarHBondContact CG2-O 3.21Å; K1180-E1182 PolarHBondContact O-N 3.35Å
1183T50.1Low66.9Low76 Ų7698.8 Ų98.847%0.46655%0.55SS.*  trans-87.4123.6174.2-350000108.6V1027 T1031 V1185V1027-T1183 HydrophobicContact CG1-CG2 3.16Å; T1031-T1183 WeakPolarHBondContact OG1-CA 3.48Å; T1031-T1183 VanDerWaalsContact OG1-CG2 3.26Å; T1031-T1183 WeakPolarHBondContact OG1-CG2 3.41Å; T1183-V1185 PolarHBondContact O-N 2.96Å
1184L49.5Very low65.3Low57 Ų5799.5 Ų99.530%0.29856%0.556SS.*  trans-78.8103.8171.5-131.9143.3000107.5Q953 W1034Q953-L1184 HydrophobicContact CB-CD1 4.44Å; Q953-L1184 HydrophobicContact CG-CD1 3.99Å; Q953-L1184 HydrophobicContact CG-CD2 4.01Å; W1034-L1184 HydrophobicContact CD2-CD1 4.27Å; W1034-L1184 HydrophobicContact CE3-CD1 4.06Å; W1034-L1184 HydrophobicContact CH2-CD1 4.15Å; W1034-L1184 HydrophobicContact CZ2-CD1 4.37Å; W1034-L1184 HydrophobicContact CZ3-CD1 3.99Å
1185V42.7Very low63.6Low189 Ų18995.8 Ų95.8100%1.14555%0.547SS*.  trans-84.10172.3-178.50000110T1183T1183-V1185 PolarHBondContact O-N 2.96Å

Retrieved 1,185 of 1,185 residues in 339.6 ms (Link to these results)

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