A0A3Q0KTG9_SCHMA Loading...

Fbxl4, putative

AlphaFold DB , UniProt , Accession A0A3Q0KTG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 960 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
1M34.5Very low59.6Low243 Ų243132.1 Ų132.1100%1.19764%0.638SS**  0136.50-67.6166177.200107.6
2A34.2Very low62.3Low105 Ų105129.3 Ų129.387%0.86862%0.623SS**  trans-73.6127.6-178.200000110.6K4A2-K4 PolarHBondContact O-N 3.43Å
3Q35.9Very low64.6Low175 Ų175120.8 Ų120.882%0.81858%0.582SS**  trans-70.7114.3171.6-71174.2-38.100108.8R5Q3-R5 VanDerWaalsContact C-N 3.31Å; Q3-R5 PolarHBondContact O-N 3.27Å
4K40.8Very low66.8Low191 Ų191116.8 Ų116.883%0.8356%0.56SS**  trans-63.197.8159.7-93.3-162171.1-163.20107.2A2 T6A2-K4 PolarHBondContact O-N 3.43Å; K4-T6 PolarHBondContact O-N 2.92Å; K4-T6 VanDerWaalsContact O-N 3.15Å
5R44.3Very low68.7Low225 Ų225109.3 Ų109.385%0.84953%0.525SS*.  trans-67.8105.6164.8-78.8-178.5169.5178.5-4.9107.1Q3 K7Q3-R5 VanDerWaalsContact C-N 3.31Å; Q3-R5 PolarHBondContact O-N 3.27Å; R5-K7 PolarHBondContact O-N 3.18Å
6T54.4Low69.9Low84 Ų84107.6 Ų107.652%0.51552%0.516SS..  trans-63.9117.9169.746.90000107.8K4 E282K4-T6 PolarHBondContact O-N 2.92Å; K4-T6 VanDerWaalsContact O-N 3.15Å; T6-E282 VanDerWaalsContact CB-OE1 3.26Å; T6-E282 WeakPolarHBondContact CB-OE1 3.23Å; T6-E282 WeakPolarHBondContact CG2-OE1 3.48Å
7K68.1Low71Confident155 Ų155102.8 Ų102.867%0.67449%0.493SS*.  trans-81.9134.8173.7-84-171.9169.9-174.40107.9R5 L283R5-K7 PolarHBondContact O-N 3.18Å; K7-L283 HydrophobicContact CB-CB 4.26Å; K7-L283 HydrophobicContact CB-CD1 3.61Å; K7-L283 HydrophobicContact CD-CD1 4.37Å; K7-L283 WeakPolarHBondContact O-CB 3.11Å; K7-L283 PolarHBondContact O-N 2.94Å
8W81.1Confident71.9Confident97 Ų9798.2 Ų98.237%0.36747%0.472SS..EExtended strand (participates in β ladder)trans-107.6140.8168.3-67.275.9000108.4I99 P253 W280 A281 E282W8-I99 HydrophobicContact CH2-CD1 3.72Å; W8-I99 HydrophobicContact CH2-CG1 4.44Å; W8-I99 HydrophobicContact CZ3-CD1 3.65Å; W8-I99 HydrophobicContact CZ3-CG1 4.07Å; W8-P253 HydrophobicContact CH2-CG 4.34Å; W8-P253 HydrophobicContact CZ3-CG 4.41Å; W8-W280 HydrophobicContact CB-CE3 4.02Å; W8-W280 HydrophobicContact CE3-CB 3.84Å; W8-W280 HydrophobicContact CZ3-CB 4.49Å; W8-A281 VanDerWaalsContact CA-O 3.23Å; W8-A281 WeakPolarHBondContact CA-O 3.08Å; W8-E282 HydrophobicContact CD2-CB 4.34Å; W8-E282 HydrophobicContact CE3-CB 4.24Å; W8-E282 HydrophobicContact CH2-CB 4.05Å; W8-E282 HydrophobicContact CZ2-CB 4.13Å; W8-E282 HydrophobicContact CZ3-CB 4.11Å
9E86.2Confident72.3Confident81 Ų8193.9 Ų93.938%0.37945%0.452SS..EExtended strand (participates in β ladder)trans-124.2149.717464.7-179.1-172.700111.1V11 W280 A281 L283E9-V11 HydrophobicContact CG-CG2 4.1Å; E9-V11 PolarHBondContact O-N 3.33Å; E9-W280 WeakPolarHBondContact O-CA 3.25Å; E9-A281 PolarHBondContact N-O 2.59Å; E9-A281 PolarHBondContact O-N 3.29Å; E9-L283 HydrophobicContact CB-CD1 4.05Å; E9-L283 HydrophobicContact CG-CD1 4.04Å; E9-L283 HydrophobicContact CG-CG 4.01Å
10L89.2Confident72.9Confident80 Ų8092.3 Ų92.342%0.41945%0.446SS..EExtended strand (participates in β ladder)trans-84.2104.8178.3-177.866.2000108.6W280L10-W280 HydrophobicContact CB-CE3 4.29Å; L10-W280 HydrophobicContact CB-CH2 4.33Å; L10-W280 HydrophobicContact CB-CZ3 4.12Å
11V87.2Confident73.5Confident17 Ų1791.4 Ų91.410%0.10344%0.44CS..EExtended strand (participates in β ladder)trans-91.5137.8178.8175.30000109.5E9 Q13 I96 V98 S278 G279 A281E9-V11 HydrophobicContact CG-CG2 4.1Å; E9-V11 PolarHBondContact O-N 3.33Å; V11-Q13 HydrophobicContact CG1-CB 4.41Å; V11-Q13 HydrophobicContact CG1-CG 4.39Å; V11-I96 HydrophobicContact CG1-CB 4.4Å; V11-I96 HydrophobicContact CG1-CD1 3.94Å; V11-I96 HydrophobicContact CG1-CG2 4.44Å; V11-I96 HydrophobicContact CG2-CG2 4.41Å; V11-V98 HydrophobicContact CB-CG1 4.02Å; V11-V98 HydrophobicContact CG1-CG1 4.42Å; V11-S278 VanDerWaalsContact O-CA 3.3Å; V11-S278 WeakPolarHBondContact O-CA 3.26Å; V11-G279 PolarHBondContact N-O 3.23Å; V11-G279 PolarHBondContact O-N 3.15Å; V11-A281 HydrophobicContact CB-CB 4.41Å; V11-A281 HydrophobicContact CG2-CB 3.54Å
12H92.4Very high75.7Confident98 Ų9880.9 Ų80.945%0.45439%0.391SS..EExtended strand (participates in β ladder)trans-118.7123.4169.6-59.9-77.9000108.6S278H12-S278 VanDerWaalsContact ND1-CB 3.35Å; H12-S278 WeakPolarHBondContact ND1-CB 3.44Å; H12-S278 PolarHBondContact ND1-OG 3.14Å
13Q92.1Very high77.8Confident19 Ų1976.8 Ų76.89%0.08936%0.356CS..EExtended strand (participates in β ladder)trans-144.5154.7-174.756.5-176.5-26.700111.6V11 F94 I96 R276 L277V11-Q13 HydrophobicContact CG1-CB 4.41Å; V11-Q13 HydrophobicContact CG1-CG 4.39Å; Q13-F94 HydrophobicContact CG-CD1 4.03Å; Q13-I96 PolarHBondContact NE2-O 2.85Å; Q13-I96 VanDerWaalsContact OE1-N 3.08Å; Q13-R276 CarbonylContact O-C 3.58Å; Q13-R276 WeakPolarHBondContact O-CA 3.42Å; Q13-R276 WeakPolarHBondContact O-CG 3.35Å; Q13-L277 HydrophobicContact CG-CB 4.39Å; Q13-L277 PolarHBondContact N-O 2.99Å; Q13-L277 PolarHBondContact O-N 3.08Å; Q13-L277 VanDerWaalsContact O-O 3.14Å
14F95.4Very high80.1Confident65 Ų6569.4 Ų69.429%0.28532%0.321SS..EExtended strand (participates in β ladder)trans-99.6171.8170-68.6-89000110.2H16 G40 P41 F94 Y106 A274 V275 R276F14-H16 PolarHBondContact O-N 3.36Å; F14-G40 WeakPolarHBondContact CB-O 3.46Å; F14-G40 VanDerWaalsContact CD1-O 3.28Å; F14-G40 WeakPolarHBondContact CD1-O 3.33Å; F14-G40 WeakPolarHBondContact CG-O 3.35Å; F14-P41 HydrophobicContact CD2-CB 4.19Å; F14-P41 HydrophobicContact CE1-CB 4.32Å; F14-P41 HydrophobicContact CE2-CB 3.96Å; F14-P41 HydrophobicContact CG-CB 4.47Å; F14-P41 HydrophobicContact CZ-CB 4.03Å; F14-F94 WeakPolarHBondContact O-CD1 3.3Å; F14-Y106 HydrophobicContact CE1-CE2 4.38Å; F14-A274 HydrophobicContact CD1-CB 4.16Å; F14-A274 HydrophobicContact CE1-CB 4.26Å; F14-V275 WeakPolarHBondContact CA-O 3.07Å; F14-R276 HydrophobicContact CD1-CB 3.85Å; F14-R276 HydrophobicContact CD1-CG 4.29Å; F14-R276 HydrophobicContact CE1-CB 3.69Å; F14-R276 HydrophobicContact CE1-CG 4.06Å; F14-R276 HydrophobicContact CE2-CG 4.39Å; F14-R276 HydrophobicContact CZ-CB 4.24Å; F14-R276 HydrophobicContact CZ-CG 4.11Å
15V94.2Very high82.1Confident4 Ų464.4 Ų64.42%0.02430%0.298CS..  trans-58.2133.7175.5-177.80000110.3E17 V18 I38 V39 G40 L92 F94 V275V15-E17 WeakPolarHBondContact CG1-O 3.18Å; V15-V18 HydrophobicContact CG1-CG2 4.41Å; V15-I38 HydrophobicContact CG2-CG2 4.28Å; V15-V39 HydrophobicContact CG1-CG2 4.22Å; V15-G40 PolarHBondContact O-N 3.23Å; V15-L92 HydrophobicContact CG1-CB 4.15Å; V15-L92 HydrophobicContact CG1-CD2 4.1Å; V15-L92 HydrophobicContact CG2-CB 4.04Å; V15-L92 HydrophobicContact CG2-CD1 3.95Å; V15-L92 HydrophobicContact CG2-CD2 4.17Å; V15-L92 HydrophobicContact CG2-CG 4.28Å; V15-F94 HydrophobicContact CB-CE1 4.45Å; V15-F94 HydrophobicContact CG2-CE1 3.86Å; V15-F94 HydrophobicContact CG2-CZ 3.8Å; V15-V275 HydrophobicContact CG2-CB 3.85Å; V15-V275 PolarHBondContact N-O 2.87Å
16H89Confident83.6Confident82 Ų8254.1 Ų54.138%0.3826%0.262SS..  trans-94.9-42.7176.1-175.5121.1000111.6F14 V39 Y93 D95F14-H16 PolarHBondContact O-N 3.36Å; H16-V39 WeakPolarHBondContact O-CG1 3.48Å; H16-Y93 HydrophobicContact CB-CD1 4.24Å; H16-Y93 PolarHBondContact N-O 2.86Å; H16-D95 HydrophobicContact CB-CB 4.26Å; H16-D95 IonicContact CE1-OD1 3.16Å; H16-D95 IonicContact CE1-OD2 3.85Å; H16-D95 PolarHBondContact CE1-OD2 2.62Å; H16-D95 IonicContact ND1-OD1 2.69Å; H16-D95 IonicContact ND1-OD2 2.85Å; H16-D95 PolarHBondContact ND1-OD2 2.92Å
17E87.8Confident84.5Confident27 Ų2753.1 Ų53.113%0.12626%0.258CS..EExtended strand (participates in β ladder)trans-143.6143.9176.9-177173.3179.200110.3V15 Y93 S324 S327V15-E17 WeakPolarHBondContact CG1-O 3.18Å; E17-Y93 HydrophobicContact CB-CD1 4.17Å; E17-Y93 PolarHBondContact N-O 2.84Å; E17-Y93 WeakPolarHBondContact O-CB 3.38Å; E17-Y93 PolarHBondContact O-N 3.02Å; E17-S324 VanDerWaalsContact OE2-CB 3.29Å; E17-S324 WeakPolarHBondContact OE2-CB 3.42Å; E17-S324 PolarHBondContact OE2-OG 2.87Å; E17-S327 WeakPolarHBondContact OE1-CB 3.22Å
18V87.9Confident84.4Confident19 Ų1954.2 Ų54.212%0.11527%0.266CS..EExtended strand (participates in β ladder)trans-90.9118164.3177.50000108.2V15 F21 A35 V39 V90 D91 L92V15-V18 HydrophobicContact CG1-CG2 4.41Å; V18-F21 HydrophobicContact CG1-CD1 3.96Å; V18-A35 HydrophobicContact CG1-CB 4.2Å; V18-A35 WeakPolarHBondContact CG2-O 3.32Å; V18-V39 HydrophobicContact CG2-CG2 4.04Å; V18-V90 HydrophobicContact CG1-CG2 3.55Å; V18-D91 WeakPolarHBondContact CA-O 3.46Å; V18-L92 HydrophobicContact CG2-CD2 3.86Å
19V80.1Confident83.5Confident17 Ų1754.4 Ų54.410%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-86.3-44.3-167.9-178.40000112D91 L256 L330V19-D91 HydrophobicContact CB-CB 4.12Å; V19-D91 PolarHBondContact N-O 3.35Å; V19-L256 HydrophobicContact CB-CD1 4.46Å; V19-L256 HydrophobicContact CG2-CD1 3.95Å; V19-L330 HydrophobicContact CG1-CB 3.94Å; V19-L330 HydrophobicContact CG1-CD1 3.83Å
20D82.8Confident82.5Confident61 Ų6152.1 Ų52.133%0.32628%0.28SS..EExtended strand (participates in β ladder)trans-156157.8-175.8-153.4-7.2000109.8Y89 D91D20-Y89 HydrophobicContact CB-CE2 4.39Å; D20-Y89 PolarHBondContact OD1-OH 2.88Å; D20-D91 HydrophobicContact CB-CB 4.23Å; D20-D91 PolarHBondContact O-N 2.86Å
21F86.3Confident82Confident74 Ų7454.2 Ų54.233%0.32530%0.296SS..EExtended strand (participates in β ladder)trans-159.8156.8176.552.7-99.4000111.9V18 S23 Q24 A35 Y89 V90V18-F21 HydrophobicContact CG1-CD1 3.96Å; F21-S23 WeakPolarHBondContact CD2-O 3.1Å; F21-Q24 HydrophobicContact CD2-CG 4.49Å; F21-Q24 HydrophobicContact CE2-CB 4.26Å; F21-Q24 HydrophobicContact CE2-CG 3.75Å; F21-Q24 HydrophobicContact CZ-CG 4.07Å; F21-A35 HydrophobicContact CD1-CB 3.67Å; F21-A35 HydrophobicContact CE1-CB 3.96Å; F21-A35 HydrophobicContact CG-CB 4.05Å; F21-Y89 WeakPolarHBondContact CA-O 3.39Å; F21-V90 HydrophobicContact CB-CG2 4.32Å
22S81.4Confident81.9Confident22 Ų2254.1 Ų54.115%0.15430%0.299CS..SBendtrans-68.6-49.6173.749.90000113.5D88 Y89S22-D88 VanDerWaalsContact CB-OD1 3.27Å; S22-D88 WeakPolarHBondContact CB-OD1 3.28Å; S22-D88 WeakPolarHBondContact OG-CA 3.26Å; S22-D88 PolarHBondContact OG-OD1 2.94Å; S22-Y89 PolarHBondContact N-O 2.8Å; S22-Y89 VanDerWaalsContact N-O 3.08Å; S22-Y89 PolarHBondContact OG-N 3.5Å; S22-Y89 PolarHBondContact OG-O 2.69Å; S22-Y89 VanDerWaalsContact OG-O 3.14Å
23S78.2Confident81.6Confident20 Ų2051.3 Ų51.314%0.1429%0.286CS..  trans-155.4167.8-176.581.80000109.7F21 F57 R58 D88F21-S23 WeakPolarHBondContact CD2-O 3.1Å; S23-F57 VanDerWaalsContact O-CD1 3.26Å; S23-F57 WeakPolarHBondContact O-CD1 3.41Å; S23-R58 PolarHBondContact OG-N 2.95Å; S23-D88 VanDerWaalsContact CB-OD1 3.29Å; S23-D88 WeakPolarHBondContact CB-OD1 3.45Å; S23-D88 VanDerWaalsContact OG-CG 3.3Å; S23-D88 PolarHBondContact OG-OD1 2.88Å; S23-D88 PolarHBondContact OG-OD2 2.83Å
24Q83.5Confident81.5Confident19 Ų1951 Ų519%0.08929%0.285CS..  trans-147.9149.2164.354.8164.243.200107.2F21 G26 S27 A35 A56 R58F21-Q24 HydrophobicContact CD2-CG 4.49Å; F21-Q24 HydrophobicContact CE2-CB 4.26Å; F21-Q24 HydrophobicContact CE2-CG 3.75Å; F21-Q24 HydrophobicContact CZ-CG 4.07Å; Q24-G26 PolarHBondContact NE2-O 3.02Å; Q24-S27 PolarHBondContact NE2-O 2.92Å; Q24-A35 HydrophobicContact CB-CB 4.23Å; Q24-A56 CarbonylContact C-O 3.54Å; Q24-A56 WeakPolarHBondContact CA-O 3.34Å; Q24-R58 WeakPolarHBondContact O-CD 3.48Å; Q24-R58 WeakPolarHBondContact O-CG 3.42Å; Q24-R58 PolarHBondContact O-NE 3.25Å; Q24-R58 PolarHBondContact O-NH2 2.96Å; Q24-R58 VanDerWaalsContact O-NH2 3.07Å
25Y83.1Confident81.2Confident86 Ų8647.9 Ų47.934%0.33727%0.271SS..SBendtrans-64.1-50.2-179.5-171-91.1000110.8F33 A56 R58 Y269Y25-F33 HydrophobicContact CD1-CB 3.93Å; Y25-F33 AromaticContact CD1-CD2 3.95Å; Y25-F33 HydrophobicContact CD1-CD2 3.95Å; Y25-F33 HydrophobicContact CD1-CG 4.07Å; Y25-F33 HydrophobicContact CE1-CD2 4.32Å; Y25-F33 HydrophobicContact CG-CB 4.35Å; Y25-F33 PolarHBondContact N-O 3.16Å; Y25-A56 PolarHBondContact N-O 2.9Å; Y25-R58 PolarHBondContact O-NE 2.81Å; Y25-R58 PolarHBondContact O-NH2 2.72Å; Y25-Y269 HydrophobicContact CD2-CE1 4.4Å; Y25-Y269 HydrophobicContact CE2-CE1 4.02Å
26G76Confident81Confident10 Ų1050.3 Ų50.310%0.10329%0.292CS..SBendtrans-61.3163.3177.800000115.5Q24 G32 F33 R58Q24-G26 PolarHBondContact NE2-O 3.02Å; G26-G32 WeakPolarHBondContact CA-O 3.38Å; G26-F33 PolarHBondContact N-O 3.49Å; G26-R58 PolarHBondContact O-NH2 2.84Å
27S73.2Confident81.2Confident62 Ų6248 Ų4843%0.43428%0.282SS..  trans-80.6161.717461.50000112.1Q24 S29 G30Q24-S27 PolarHBondContact NE2-O 2.92Å; S27-S29 PolarHBondContact O-N 2.97Å; S27-G30 PolarHBondContact O-N 3.01Å; S27-G30 VanDerWaalsContact O-N 3.09Å; S27-G30 PolarHBondContact OG-N 2.85Å; S27-G30 VanDerWaalsContact OG-N 3.12Å
28E65.3Low81.4Confident179 Ų17946.7 Ų46.784%0.83628%0.276SS*.THydrogen-bonded Turntrans-61.2-13.8175.9-70.3-169.6-17300114.3
29S61.5Low81.6Confident101 Ų10148.3 Ų48.371%0.70629%0.286SS*.THydrogen-bonded Turntrans-111.6-4.6177.757.60000113.6S27S27-S29 PolarHBondContact O-N 2.97Å
30G66Low82.2Confident33 Ų3347.8 Ų47.834%0.3428%0.284SS..  trans-82161.5177.800000112.3S27 T34S27-G30 PolarHBondContact O-N 3.01Å; S27-G30 VanDerWaalsContact O-N 3.09Å; S27-G30 PolarHBondContact OG-N 2.85Å; S27-G30 VanDerWaalsContact OG-N 3.12Å; G30-T34 WeakPolarHBondContact O-CG2 3.36Å
31T78.8Confident82.5Confident123 Ų12347.5 Ų47.576%0.75529%0.286SS*.SBendtrans-98.6-31.9167.149.90000111.7N37T31-N37 PolarHBondContact O-ND2 3.01Å; T31-N37 PolarHBondContact O-OD1 3.1Å
32G84.1Confident82.7Confident16 Ų1645.9 Ų45.917%0.16528%0.283CS..THydrogen-bonded Turntrans-72.7135.2-179.700000113.5G26 T34 N52G26-G32 WeakPolarHBondContact CA-O 3.38Å; G32-T34 VanDerWaalsContact C-N 3.28Å; G32-T34 PolarHBondContact O-N 2.97Å; G32-N52 CarbonylContact C-O 3.55Å; G32-N52 VanDerWaalsContact CA-O 3.31Å; G32-N52 WeakPolarHBondContact CA-O 3.44Å
33F87.8Confident83Confident39 Ų3950.1 Ų50.117%0.17130%0.3CS..THydrogen-bonded Turntrans56.233.5169.8-50.5-73.9000115.3Y25 G26 N37 D50 S51 N52 T54 A56Y25-F33 HydrophobicContact CD1-CB 3.93Å; Y25-F33 AromaticContact CD1-CD2 3.95Å; Y25-F33 HydrophobicContact CD1-CD2 3.95Å; Y25-F33 HydrophobicContact CD1-CG 4.07Å; Y25-F33 HydrophobicContact CE1-CD2 4.32Å; Y25-F33 HydrophobicContact CG-CB 4.35Å; Y25-F33 PolarHBondContact N-O 3.16Å; G26-F33 PolarHBondContact N-O 3.49Å; F33-N37 PolarHBondContact N-ND2 2.99Å; F33-D50 WeakPolarHBondContact CE1-OD1 3.43Å; F33-D50 VanDerWaalsContact CZ-OD1 3.27Å; F33-D50 WeakPolarHBondContact CZ-OD1 3.45Å; F33-S51 VanDerWaalsContact CE1-O 3.27Å; F33-S51 WeakPolarHBondContact CE1-O 3.3Å; F33-N52 HydrophobicContact CD2-CB 4.17Å; F33-N52 HydrophobicContact CE1-CB 4.37Å; F33-N52 HydrophobicContact CE2-CB 3.81Å; F33-N52 HydrophobicContact CZ-CB 3.93Å; F33-N52 PolarHBondContact N-O 3.42Å; F33-T54 VanDerWaalsContact CA-O 3.31Å; F33-T54 WeakPolarHBondContact CA-O 3.29Å; F33-A56 HydrophobicContact CB-CB 4.23Å; F33-A56 HydrophobicContact CD1-CB 4.22Å
34T89.5Confident83.4Confident11 Ų1149.7 Ų49.77%0.06730%0.297CS..  trans-91.9151177.975.20000110.9G30 G32 A36 N37 G55G30-T34 WeakPolarHBondContact O-CG2 3.36Å; G32-T34 VanDerWaalsContact C-N 3.28Å; G32-T34 PolarHBondContact O-N 2.97Å; T34-A36 PolarHBondContact O-N 3.19Å; T34-N37 PolarHBondContact N-ND2 3.23Å; T34-N37 WeakPolarHBondContact O-CB 3.46Å; T34-N37 PolarHBondContact O-N 3.34Å; T34-N37 VanDerWaalsContact O-N 3.09Å; T34-N37 PolarHBondContact OG1-OD1 2.96Å; T34-N37 VanDerWaalsContact OG1-OD1 3.12Å; T34-G55 VanDerWaalsContact O-CA 3.3Å; T34-G55 WeakPolarHBondContact O-CA 3.37Å
35A89.6Confident83.6Confident0 Ų051.8 Ų51.80%030%0.304CS..G310 helixtrans-60.5-30.5177.700000111.8V18 F21 Q24 N37 I38V18-A35 HydrophobicContact CG1-CB 4.2Å; V18-A35 WeakPolarHBondContact CG2-O 3.32Å; F21-A35 HydrophobicContact CD1-CB 3.67Å; F21-A35 HydrophobicContact CE1-CB 3.96Å; F21-A35 HydrophobicContact CG-CB 4.05Å; Q24-A35 HydrophobicContact CB-CB 4.23Å; A35-N37 PolarHBondContact O-N 2.95Å; A35-N37 VanDerWaalsContact O-N 3.14Å; A35-I38 WeakPolarHBondContact O-CB 3.44Å; A35-I38 WeakPolarHBondContact O-CG1 3.46Å; A35-I38 PolarHBondContact O-N 2.89Å
36A89.4Confident83.8Confident56 Ų5651.8 Ų51.846%0.46331%0.314SS..G310 helixtrans-62.1-17.4177.400000114.3T34 I38 V39T34-A36 PolarHBondContact O-N 3.19Å; A36-I38 PolarHBondContact O-N 2.93Å; A36-V39 WeakPolarHBondContact O-CB 3.48Å; A36-V39 VanDerWaalsContact O-CG2 3.3Å; A36-V39 WeakPolarHBondContact O-CG2 3.33Å; A36-V39 PolarHBondContact O-N 3.25Å
37N92.2Very high84.2Confident32 Ų3256.1 Ų56.117%0.17134%0.335CS..G310 helixtrans-68.2-16.5177.5-67.6-9.9000113.2T31 F33 T34 A35 V39 N52 A53 T54T31-N37 PolarHBondContact O-ND2 3.01Å; T31-N37 PolarHBondContact O-OD1 3.1Å; F33-N37 PolarHBondContact N-ND2 2.99Å; T34-N37 PolarHBondContact N-ND2 3.23Å; T34-N37 WeakPolarHBondContact O-CB 3.46Å; T34-N37 PolarHBondContact O-N 3.34Å; T34-N37 VanDerWaalsContact O-N 3.09Å; T34-N37 PolarHBondContact OG1-OD1 2.96Å; T34-N37 VanDerWaalsContact OG1-OD1 3.12Å; A35-N37 PolarHBondContact O-N 2.95Å; A35-N37 VanDerWaalsContact O-N 3.14Å; N37-V39 PolarHBondContact O-N 3.23Å; N37-N52 PolarHBondContact ND2-O 3.38Å; N37-N52 VanDerWaalsContact ND2-O 3.09Å; N37-A53 WeakPolarHBondContact CB-O 3.49Å; N37-T54 VanDerWaalsContact CB-C 3.47Å; N37-T54 WeakPolarHBondContact CB-O 3.22Å; N37-T54 PolarHBondContact ND2-O 2.86Å
38I92.7Very high84.9Confident1 Ų155.6 Ų55.61%0.00532%0.324CS..G310 helixtrans-71.9-9176-56.8171.1000112V15 A35 A36 F57 L92 I272 V275V15-I38 HydrophobicContact CG2-CG2 4.28Å; A35-I38 WeakPolarHBondContact O-CB 3.44Å; A35-I38 WeakPolarHBondContact O-CG1 3.46Å; A35-I38 PolarHBondContact O-N 2.89Å; A36-I38 PolarHBondContact O-N 2.93Å; I38-F57 HydrophobicContact CD1-CE2 4.31Å; I38-F57 HydrophobicContact CD1-CZ 4.07Å; I38-L92 HydrophobicContact CG2-CD2 4.26Å; I38-I272 HydrophobicContact CD1-CB 4.16Å; I38-I272 HydrophobicContact CD1-CG2 4.21Å; I38-I272 HydrophobicContact CG1-CB 4.25Å; I38-I272 HydrophobicContact CG1-CG2 4.05Å; I38-I272 HydrophobicContact CG2-CG2 3.97Å; I38-V275 HydrophobicContact CG2-CB 4.46Å; I38-V275 HydrophobicContact CG2-CG2 3.88Å
39V92.5Very high85.8Confident53 Ų5349.2 Ų49.232%0.32130%0.299SS..SBendtrans-75.7126.5-178.8175.80000111.6V15 H16 V18 A36 N37V15-V39 HydrophobicContact CG1-CG2 4.22Å; H16-V39 WeakPolarHBondContact O-CG1 3.48Å; V18-V39 HydrophobicContact CG2-CG2 4.04Å; A36-V39 WeakPolarHBondContact O-CB 3.48Å; A36-V39 VanDerWaalsContact O-CG2 3.3Å; A36-V39 WeakPolarHBondContact O-CG2 3.33Å; A36-V39 PolarHBondContact O-N 3.25Å; N37-V39 PolarHBondContact O-N 3.23Å
40G91.8Very high87Confident5 Ų547.3 Ų47.35%0.05228%0.281CS..SBendtrans89.7-165.2179.800000114.8F14 V15F14-G40 WeakPolarHBondContact CB-O 3.46Å; F14-G40 VanDerWaalsContact CD1-O 3.28Å; F14-G40 WeakPolarHBondContact CD1-O 3.33Å; F14-G40 WeakPolarHBondContact CG-O 3.35Å; V15-G40 PolarHBondContact O-N 3.23Å
41P90.4Very high88.1Confident56 Ų5646.8 Ų46.836%0.36427%0.272SS..SBendtrans-78.1160.2-178.733.5-35.9000112.7F14F14-P41 HydrophobicContact CD2-CB 4.19Å; F14-P41 HydrophobicContact CE1-CB 4.32Å; F14-P41 HydrophobicContact CE2-CB 3.96Å; F14-P41 HydrophobicContact CG-CB 4.47Å; F14-P41 HydrophobicContact CZ-CB 4.03Å
42C89.4Confident88.6Confident39 Ų3945.7 Ų45.726%0.26426%0.261SS..  trans-45.1137.1174.3-60.50000113.6Y106 D273C42-Y106 WeakPolarHBondContact SG-CD1 3.36Å; C42-D273 WeakPolarHBondContact CA-OD2 3.46Å; C42-D273 WeakPolarHBondContact CB-OD2 3.5Å
43Q87.4Confident88.8Confident112 Ų11246.3 Ų46.352%0.52327%0.265SS..SBendtrans-118.3-23.6173.4-67.2177.884.200112.2D273Q43-D273 PolarHBondContact N-OD1 2.88Å; Q43-D273 PolarHBondContact N-OD2 2.71Å
44V87.6Confident89Confident10 Ų1044.4 Ų44.46%0.06126%0.256CS..SBendtrans-114.7-38.4-173.4-178.40000112.3N47 S51 A53 T54 T108 D273V44-N47 HydrophobicContact CG1-CB 4.47Å; V44-N47 VanDerWaalsContact O-CB 3.28Å; V44-N47 WeakPolarHBondContact O-CB 3.33Å; V44-N47 PolarHBondContact O-N 2.97Å; V44-N47 PolarHBondContact O-ND2 2.58Å; V44-S51 WeakPolarHBondContact CG2-OG 3.31Å; V44-A53 HydrophobicContact CG2-CB 4Å; V44-T54 HydrophobicContact CB-CG2 4.35Å; V44-T54 HydrophobicContact CG2-CG2 3.99Å; V44-T108 HydrophobicContact CB-CG2 4.05Å; V44-T108 HydrophobicContact CG1-CG2 3.95Å; V44-D273 HydrophobicContact CB-CB 4.44Å; V44-D273 VanDerWaalsContact N-CG 3.33Å; V44-D273 PolarHBondContact N-OD1 2.8Å; V44-D273 PolarHBondContact N-OD2 3.39Å
45Y88.4Confident89Confident64 Ų6443.9 Ų43.925%0.25125%0.253SS..THydrogen-bonded Turntrans-62.9132.2177.5-173.3-89000110.5Y106 T108 I241 D273Y45-Y106 AromaticContact CD1-CD1 3.72Å; Y45-Y106 HydrophobicContact CD1-CD1 3.72Å; Y45-Y106 HydrophobicContact CD1-CE1 4.11Å; Y45-Y106 HydrophobicContact CD2-CD1 4.23Å; Y45-Y106 HydrophobicContact CE1-CD1 4.21Å; Y45-Y106 HydrophobicContact CE1-CE1 4.37Å; Y45-Y106 AromaticContact CG-CD1 3.76Å; Y45-Y106 HydrophobicContact CG-CD1 3.76Å; Y45-T108 HydrophobicContact CD2-CG2 4.37Å; Y45-I241 HydrophobicContact CE1-CD1 3.92Å; Y45-I241 HydrophobicContact CE1-CG1 3.97Å; Y45-I241 HydrophobicContact CE2-CG1 4.03Å; Y45-D273 VanDerWaalsContact CB-OD2 3.27Å; Y45-D273 WeakPolarHBondContact CB-OD2 3.06Å; Y45-D273 PolarHBondContact N-OD2 3.27Å
46P87Confident88.9Confident85 Ų8543.9 Ų43.955%0.55225%0.253SS*.THydrogen-bonded Turncis-937.720.737.3-38.4000116.6S239P46-S239 WeakPolarHBondContact O-CB 3.3Å; P46-S239 PolarHBondContact O-OG 3.25Å
47N83.9Confident88.7Confident101 Ų10141.5 Ų41.554%0.5423%0.232SC..  trans-66.1140.9-177.7-59.2-40.2000111.5V44V44-N47 HydrophobicContact CG1-CB 4.47Å; V44-N47 VanDerWaalsContact O-CB 3.28Å; V44-N47 WeakPolarHBondContact O-CB 3.33Å; V44-N47 PolarHBondContact O-N 2.97Å; V44-N47 PolarHBondContact O-ND2 2.58Å
48Y87.6Confident87.7Confident52 Ų5245.1 Ų45.120%0.20424%0.244CC..  trans-96.2100.9165-176.4-98.5000108.5T108 Y109 N110 P237 S239Y48-T108 WeakPolarHBondContact CA-O 3.36Å; Y48-T108 WeakPolarHBondContact CD2-O 3.45Å; Y48-Y109 HydrophobicContact CD1-CD2 4.44Å; Y48-Y109 AromaticContact CE1-CD2 3.8Å; Y48-Y109 HydrophobicContact CE1-CD2 3.8Å; Y48-Y109 AromaticContact CE1-CE2 3.79Å; Y48-Y109 HydrophobicContact CE1-CE2 3.79Å; Y48-Y109 AromaticContact CE2-CD2 3.95Å; Y48-Y109 HydrophobicContact CE2-CD2 3.95Å; Y48-Y109 AromaticContact CZ-CD2 3.51Å; Y48-Y109 AromaticContact CZ-CE2 3.8Å; Y48-N110 PolarHBondContact OH-N 3.37Å; Y48-P237 HydrophobicContact CE1-CB 4.33Å; Y48-P237 HydrophobicContact CE1-CG 3.92Å; Y48-P237 HydrophobicContact CE2-CB 4.03Å; Y48-P237 HydrophobicContact CE2-CG 4.48Å; Y48-P237 WeakPolarHBondContact OH-CB 3.49Å; Y48-P237 VanDerWaalsContact OH-CG 3.31Å; Y48-P237 WeakPolarHBondContact OH-CG 3.44Å; Y48-S239 VanDerWaalsContact CD2-N 3.34Å
49C83.6Confident86.6Confident44 Ų4445.7 Ų45.730%0.29725%0.247SC..SBendtrans-157.4153.2177.855.20000110.9S51 T108C49-S51 PolarHBondContact O-N 3.25Å; C49-T108 PolarHBondContact N-O 3.08Å
50D88.1Confident85.5Confident62 Ų6245.9 Ų45.933%0.33224%0.243SC..  trans-69.2117.1164-163-37.6000108.2F33 Y109 Y269 Q271F33-D50 WeakPolarHBondContact CE1-OD1 3.43Å; F33-D50 VanDerWaalsContact CZ-OD1 3.27Å; F33-D50 WeakPolarHBondContact CZ-OD1 3.45Å; D50-Y109 HydrophobicContact CB-CD1 4.01Å; D50-Y109 HydrophobicContact CB-CD2 4.42Å; D50-Y109 HydrophobicContact CB-CE1 3.76Å; D50-Y109 HydrophobicContact CB-CE2 4.23Å; D50-Y109 HydrophobicContact CB-CG 4.32Å; D50-Y109 WeakPolarHBondContact OD2-CE1 3.12Å; D50-Y269 PolarHBondContact OD2-OH 2.82Å; D50-Q271 PolarHBondContact OD1-NE2 2.83Å
51S88.4Confident84Confident22 Ų2247.7 Ų47.715%0.15426%0.261CS..  trans-138.2127-174.9-176.20000112.9F33 V44 C49 A53 T54 Q271F33-S51 VanDerWaalsContact CE1-O 3.27Å; F33-S51 WeakPolarHBondContact CE1-O 3.3Å; V44-S51 WeakPolarHBondContact CG2-OG 3.31Å; C49-S51 PolarHBondContact O-N 3.25Å; S51-A53 PolarHBondContact O-N 2.81Å; S51-A53 VanDerWaalsContact O-N 3.11Å; S51-A53 PolarHBondContact OG-N 3.44Å; S51-T54 WeakPolarHBondContact O-CB 3.29Å; S51-T54 WeakPolarHBondContact O-CG2 3.45Å; S51-T54 PolarHBondContact O-N 3.29Å; S51-T54 VanDerWaalsContact O-N 3.11Å; S51-T54 PolarHBondContact O-OG1 2.94Å; S51-Q271 PolarHBondContact O-OE1 3.21Å
52N89.7Confident82.6Confident100 Ų10051.9 Ų51.954%0.53527%0.273SS..THydrogen-bonded Turntrans-62.5-17.4178.267.95.9000113.6G32 F33 N37 T54G32-N52 CarbonylContact C-O 3.55Å; G32-N52 VanDerWaalsContact CA-O 3.31Å; G32-N52 WeakPolarHBondContact CA-O 3.44Å; F33-N52 HydrophobicContact CD2-CB 4.17Å; F33-N52 HydrophobicContact CE1-CB 4.37Å; F33-N52 HydrophobicContact CE2-CB 3.81Å; F33-N52 HydrophobicContact CZ-CB 3.93Å; F33-N52 PolarHBondContact N-O 3.42Å; N37-N52 PolarHBondContact ND2-O 3.38Å; N37-N52 VanDerWaalsContact ND2-O 3.09Å; N52-T54 PolarHBondContact O-N 3.27Å
53A88.9Confident81.2Confident28 Ų2855.8 Ų55.823%0.23128%0.283CS..THydrogen-bonded Turntrans-76.90.117600000114.1N37 V44 S51N37-A53 WeakPolarHBondContact CB-O 3.49Å; V44-A53 HydrophobicContact CG2-CB 4Å; S51-A53 PolarHBondContact O-N 2.81Å; S51-A53 VanDerWaalsContact O-N 3.11Å; S51-A53 PolarHBondContact OG-N 3.44Å
54T90.2Very high80Confident0 Ų051.7 Ų51.70%026%0.262CS..SBendtrans-100.6171.8178.669.40000112.3F33 N37 V44 S51 N52 T108 Q271 I272 D273F33-T54 VanDerWaalsContact CA-O 3.31Å; F33-T54 WeakPolarHBondContact CA-O 3.29Å; N37-T54 VanDerWaalsContact CB-C 3.47Å; N37-T54 WeakPolarHBondContact CB-O 3.22Å; N37-T54 PolarHBondContact ND2-O 2.86Å; V44-T54 HydrophobicContact CB-CG2 4.35Å; V44-T54 HydrophobicContact CG2-CG2 3.99Å; S51-T54 WeakPolarHBondContact O-CB 3.29Å; S51-T54 WeakPolarHBondContact O-CG2 3.45Å; S51-T54 PolarHBondContact O-N 3.29Å; S51-T54 VanDerWaalsContact O-N 3.11Å; S51-T54 PolarHBondContact O-OG1 2.94Å; N52-T54 PolarHBondContact O-N 3.27Å; T54-T108 WeakPolarHBondContact CG2-OG1 3.41Å; T54-Q271 HydrophobicContact CG2-CB 4.28Å; T54-Q271 PolarHBondContact OG1-OE1 2.83Å; T54-I272 WeakPolarHBondContact CB-O 3.3Å; T54-D273 HydrophobicContact CG2-CB 4.39Å
55G89.5Confident78.8Confident0 Ų058 Ų580%029%0.285CS..EExtended strand (participates in β ladder)trans-95.8129.3163.300000111.9T34 Q271 I272T34-G55 VanDerWaalsContact O-CA 3.3Å; T34-G55 WeakPolarHBondContact O-CA 3.37Å; G55-Q271 WeakPolarHBondContact O-CA 3.13Å; G55-I272 PolarHBondContact N-O 3.31Å; G55-I272 PolarHBondContact O-N 3.02Å
56A88.6Confident77.8Confident0 Ų062.1 Ų62.10%031%0.31CS..EExtended strand (participates in β ladder)trans-128.8148179.500000111.4Q24 Y25 F33 Y269 Q271Q24-A56 CarbonylContact C-O 3.54Å; Q24-A56 WeakPolarHBondContact CA-O 3.34Å; Y25-A56 PolarHBondContact N-O 2.9Å; F33-A56 HydrophobicContact CB-CB 4.23Å; F33-A56 HydrophobicContact CD1-CB 4.22Å; A56-Y269 HydrophobicContact CB-CD2 3.83Å; A56-Y269 HydrophobicContact CB-CE2 4.12Å; A56-Q271 HydrophobicContact CB-CG 4.15Å
57F84.2Confident76.6Confident6 Ų659.5 Ų59.53%0.02629%0.294CS..  trans-116.1151.7-174.5-59.4-86.7000111.4S23 I38 D88 V90 F261 Y269S23-F57 VanDerWaalsContact O-CD1 3.26Å; S23-F57 WeakPolarHBondContact O-CD1 3.41Å; I38-F57 HydrophobicContact CD1-CE2 4.31Å; I38-F57 HydrophobicContact CD1-CZ 4.07Å; F57-D88 HydrophobicContact CB-CB 4.24Å; F57-D88 WeakPolarHBondContact CB-OD2 3.28Å; F57-V90 HydrophobicContact CE1-CB 3.92Å; F57-V90 HydrophobicContact CE1-CG2 4.49Å; F57-V90 HydrophobicContact CZ-CB 3.77Å; F57-V90 HydrophobicContact CZ-CG1 3.97Å; F57-V90 HydrophobicContact CZ-CG2 4.29Å; F57-F261 HydrophobicContact CD1-CD2 4.5Å; F57-F261 HydrophobicContact CD1-CE2 4.35Å; F57-F261 HydrophobicContact CD2-CD2 4.27Å; F57-F261 AromaticContact CD2-CE2 3.94Å; F57-F261 HydrophobicContact CD2-CE2 3.94Å; F57-F261 HydrophobicContact CD2-CZ 4.11Å; F57-F261 HydrophobicContact CE1-CE2 4.06Å; F57-F261 HydrophobicContact CE2-CD2 4.4Å; F57-F261 HydrophobicContact CE2-CE1 4.42Å; F57-F261 AromaticContact CE2-CE2 3.63Å; F57-F261 HydrophobicContact CE2-CE2 3.63Å; F57-F261 AromaticContact CE2-CZ 3.64Å; F57-F261 HydrophobicContact CE2-CZ 3.64Å; F57-F261 HydrophobicContact CG-CD2 4.34Å; F57-F261 HydrophobicContact CG-CE2 4.31Å; F57-F261 AromaticContact CZ-CE2 3.7Å; F57-F261 HydrophobicContact CZ-CE2 3.7Å; F57-F261 HydrophobicContact CZ-CZ 4.05Å; F57-Y269 WeakPolarHBondContact O-CB 3.42Å
58R72.8Confident75.3Confident108 Ų10861.6 Ų61.641%0.40831%0.313SS..SBendtrans-86.4-18.6-163.2-72-170.217815212.5116.1S23 Q24 Y25 G26 Y60 W63 D88S23-R58 PolarHBondContact OG-N 2.95Å; Q24-R58 WeakPolarHBondContact O-CD 3.48Å; Q24-R58 WeakPolarHBondContact O-CG 3.42Å; Q24-R58 PolarHBondContact O-NE 3.25Å; Q24-R58 PolarHBondContact O-NH2 2.96Å; Q24-R58 VanDerWaalsContact O-NH2 3.07Å; Y25-R58 PolarHBondContact O-NE 2.81Å; Y25-R58 PolarHBondContact O-NH2 2.72Å; G26-R58 PolarHBondContact O-NH2 2.84Å; R58-Y60 VanDerWaalsContact C-N 3.32Å; R58-Y60 WeakPolarHBondContact O-CD1 3.31Å; R58-Y60 PolarHBondContact O-N 2.76Å; R58-W63 WeakPolarHBondContact O-CZ2 3.28Å; R58-D88 PolarHBondContact N-OD2 2.84Å
59T69.6Low73.8Confident12 Ų1263.4 Ų63.47%0.07433%0.333CS..  trans-82.457.3-166.758.80000114.9W64 E87 D88 S263T59-W64 VanDerWaalsContact C-CZ3 3.46Å; T59-W64 HydrophobicContact CG2-CD2 4.06Å; T59-W64 HydrophobicContact CG2-CG 4.15Å; T59-W64 HydrophobicContact CG2-CZ2 4.28Å; T59-W64 WeakPolarHBondContact O-CH2 3.12Å; T59-W64 WeakPolarHBondContact O-CZ2 3.22Å; T59-E87 HydrophobicContact CG2-CB 4.2Å; T59-D88 VanDerWaalsContact CB-OD2 3.27Å; T59-D88 WeakPolarHBondContact CB-OD2 3.19Å; T59-D88 WeakPolarHBondContact CG2-OD2 3.36Å; T59-D88 PolarHBondContact N-OD2 3.25Å; T59-D88 VanDerWaalsContact OG1-CG 3.27Å; T59-D88 PolarHBondContact OG1-OD2 2.84Å; T59-S263 WeakPolarHBondContact O-CB 3.38Å; T59-S263 PolarHBondContact O-OG 2.74Å; T59-S263 PolarHBondContact OG1-OG 3.22Å
60Y68.2Low72.6Confident58 Ų5863.9 Ų63.923%0.22734%0.337CS..  trans-106.3121.1178.177.2-81.5000112.9R58 W63 W64 Y268 Y269R58-Y60 VanDerWaalsContact C-N 3.32Å; R58-Y60 WeakPolarHBondContact O-CD1 3.31Å; R58-Y60 PolarHBondContact O-N 2.76Å; Y60-W63 VanDerWaalsContact O-CD1 3.26Å; Y60-W63 PolarHBondContact O-NE1 3.38Å; Y60-W63 VanDerWaalsContact O-NE1 3.09Å; Y60-W64 VanDerWaalsContact O-CZ3 3.24Å; Y60-W64 WeakPolarHBondContact O-CZ3 3.27Å; Y60-Y268 HydrophobicContact CD2-CD2 4.02Å; Y60-Y268 HydrophobicContact CD2-CE2 4.4Å; Y60-Y268 AromaticContact CE2-CD2 3.98Å; Y60-Y268 HydrophobicContact CE2-CD2 3.98Å; Y60-Y268 AromaticContact CE2-CE2 3.9Å; Y60-Y268 HydrophobicContact CE2-CE2 3.9Å; Y60-Y269 AromaticContact CD1-CD1 3.72Å; Y60-Y269 HydrophobicContact CD1-CD1 3.72Å; Y60-Y269 HydrophobicContact CD1-CG 4.37Å; Y60-Y269 HydrophobicContact CD2-CD1 4.48Å; Y60-Y269 AromaticContact CE1-CD1 3.81Å; Y60-Y269 HydrophobicContact CE1-CD1 3.81Å; Y60-Y269 HydrophobicContact CE1-CE1 4.37Å; Y60-Y269 HydrophobicContact CG-CD1 4.1Å
61G60.2Low71Confident42 Ų4267 Ų6743%0.43335%0.353SS..SBendtrans104.1-129-17500000114.6W64G61-W64 WeakPolarHBondContact O-CH2 3.21Å
62K61.4Low69.4Low145 Ų14574.6 Ų74.663%0.6338%0.383SS*.SBendtrans-133.2-8.4171.2-65.3173-174.2161.30114W64 R65 D163K62-W64 PolarHBondContact O-N 3.06Å; K62-R65 WeakPolarHBondContact O-CB 3.47Å; K62-R65 PolarHBondContact O-N 2.75Å; K62-D163 IonicContact NZ-OD1 2.76Å
63W60.1Low67.7Low120 Ų12073.4 Ų73.446%0.45538%0.381SS..THydrogen-bonded Turntrans-68-26-158.764.5-94.3000116.2R58 Y60 I66 S67R58-W63 WeakPolarHBondContact O-CZ2 3.28Å; Y60-W63 VanDerWaalsContact O-CD1 3.26Å; Y60-W63 PolarHBondContact O-NE1 3.38Å; Y60-W63 VanDerWaalsContact O-NE1 3.09Å; W63-I66 WeakPolarHBondContact O-CG1 3.35Å; W63-S67 PolarHBondContact O-N 2.98Å
64W62Low66Low27 Ų2775.1 Ų75.110%0.10239%0.385CS..THydrogen-bonded Turntrans-75.9-27.9177.661.899.8000111.6T59 Y60 G61 K62 I66 S67 S70 E87 T264T59-W64 VanDerWaalsContact C-CZ3 3.46Å; T59-W64 HydrophobicContact CG2-CD2 4.06Å; T59-W64 HydrophobicContact CG2-CG 4.15Å; T59-W64 HydrophobicContact CG2-CZ2 4.28Å; T59-W64 WeakPolarHBondContact O-CH2 3.12Å; T59-W64 WeakPolarHBondContact O-CZ2 3.22Å; Y60-W64 VanDerWaalsContact O-CZ3 3.24Å; Y60-W64 WeakPolarHBondContact O-CZ3 3.27Å; G61-W64 WeakPolarHBondContact O-CH2 3.21Å; K62-W64 PolarHBondContact O-N 3.06Å; W64-I66 PolarHBondContact O-N 2.75Å; W64-S67 VanDerWaalsContact O-CB 3.24Å; W64-S67 WeakPolarHBondContact O-CB 3.04Å; W64-S67 PolarHBondContact O-N 3.39Å; W64-S70 VanDerWaalsContact O-CB 3.23Å; W64-S70 WeakPolarHBondContact O-CB 3.48Å; W64-S70 PolarHBondContact O-OG 2.82Å; W64-E87 VanDerWaalsContact CE2-OE2 3.28Å; W64-E87 VanDerWaalsContact CZ2-OE2 3.29Å; W64-E87 WeakPolarHBondContact CZ2-OE2 3.44Å; W64-E87 PolarHBondContact NE1-OE2 3.12Å; W64-T264 HydrophobicContact CH2-CG2 4.36Å; W64-T264 HydrophobicContact CZ2-CG2 4.19Å
65R62.9Low64.3Low143 Ų14381.6 Ų81.654%0.5442%0.42SS..THydrogen-bonded Turntrans-64.7-27.9176.7-64.9-177.1168.4-177-0.1112.5K62 E87K62-R65 WeakPolarHBondContact O-CB 3.47Å; K62-R65 PolarHBondContact O-N 2.75Å; R65-E87 IonicContact CZ-OE1 3.84Å; R65-E87 IonicContact NE-OE1 2.93Å; R65-E87 PolarHBondContact NE-OE1 3.41Å; R65-E87 IonicContact NE-OE2 3.59Å; R65-E87 IonicContact NH2-OE1 2.68Å; R65-E87 PolarHBondContact NH2-OE1 3.12Å; R65-E87 IonicContact NH2-OE2 3.9Å
66I67.9Low62.6Low149 Ų14985.3 Ų85.376%0.76444%0.439SS*.THydrogen-bonded Turntrans-93.8-2.6172.562.1172.9000113.2W63 W64W63-I66 WeakPolarHBondContact O-CG1 3.35Å; W64-I66 PolarHBondContact O-N 2.75Å
67S59.9Low60.7Low31 Ų3187.4 Ų87.422%0.21745%0.452CS..SBendtrans-74137.1176.5-178.60000111W63 W64 S69 S70W63-S67 PolarHBondContact O-N 2.98Å; W64-S67 VanDerWaalsContact O-CB 3.24Å; W64-S67 WeakPolarHBondContact O-CB 3.04Å; W64-S67 PolarHBondContact O-N 3.39Å; S67-S69 PolarHBondContact O-N 3.36Å; S67-S69 PolarHBondContact OG-N 2.99Å; S67-S69 PolarHBondContact OG-OG 3.25Å; S67-S70 WeakPolarHBondContact O-CB 3.31Å; S67-S70 PolarHBondContact O-N 2.92Å
68P58.2Low59Low144 Ų14493 Ų9394%0.93549%0.489SS*.THydrogen-bonded Turntrans-57.1-16.6168.5-24.934.9000114.4
69S56.4Low57.9Low91 Ų9194.7 Ų94.764%0.63651%0.506SS*.THydrogen-bonded Turntrans-93.65.9175.166.70000114.8S67 L71S67-S69 PolarHBondContact O-N 3.36Å; S67-S69 PolarHBondContact OG-N 2.99Å; S67-S69 PolarHBondContact OG-OG 3.25Å; S69-L71 PolarHBondContact O-N 3.46Å; S69-L71 VanDerWaalsContact O-N 3.15Å
70S57.2Low57.1Low53 Ų5396.4 Ų96.437%0.37152%0.515SS..PPolyproline II helixtrans-54.1120.9-179.2-168.90000111.2W64 S67W64-S70 VanDerWaalsContact O-CB 3.23Å; W64-S70 WeakPolarHBondContact O-CB 3.48Å; W64-S70 PolarHBondContact O-OG 2.82Å; S67-S70 WeakPolarHBondContact O-CB 3.31Å; S67-S70 PolarHBondContact O-N 2.92Å
71L54.3Low56.3Low127 Ų127101.6 Ų101.667%0.66555%0.547SS*.PPolyproline II helixtrans-68.3150.4169.4-63-179.8000109.5S69S69-L71 PolarHBondContact O-N 3.46Å; S69-L71 VanDerWaalsContact O-N 3.15Å
72K55.8Low56.2Low182 Ų182102 Ų10279%0.79154%0.539SS*.PPolyproline II helixtrans-73.4135.7171.6-70.6-171.5175.7-1740109.1I74K72-I74 PolarHBondContact O-N 2.94Å
73P53.3Low56Low75 Ų75102.3 Ų102.349%0.48755%0.547SS..PPolyproline II helixtrans-53.4136.4177.1-27.835.7000112.1N75 T85P73-N75 PolarHBondContact O-N 2.97Å; P73-T85 VanDerWaalsContact C-CG2 3.41Å; P73-T85 HydrophobicContact CB-CG2 3.34Å
74I54.3Low56Low65 Ų6598 Ų9833%0.33353%0.531SS..  trans-95.592.8-167.5-31179.9000111.6K72 L76 T85 Y89K72-I74 PolarHBondContact O-N 2.94Å; I74-L76 HydrophobicContact CB-CD1 4.05Å; I74-L76 HydrophobicContact CB-CG 4.23Å; I74-L76 HydrophobicContact CG2-CD1 3.93Å; I74-L76 HydrophobicContact CG2-CD2 4.01Å; I74-L76 HydrophobicContact CG2-CG 3.69Å; I74-L76 PolarHBondContact O-N 2.86Å; I74-T85 VanDerWaalsContact C-CG2 3.44Å; I74-T85 VanDerWaalsContact N-CG2 3.27Å; I74-Y89 HydrophobicContact CD1-CD1 4.06Å; I74-Y89 HydrophobicContact CD1-CE1 3.63Å
75N54.1Low56Low135 Ų13598.5 Ų98.572%0.72254%0.538SS*.  trans-72.695.4171.2-75.8-19.1000110.4P73 T85P73-N75 PolarHBondContact O-N 2.97Å; N75-T85 WeakPolarHBondContact OD1-CB 3.4Å; N75-T85 WeakPolarHBondContact OD1-CG2 3.47Å; N75-T85 PolarHBondContact OD1-OG1 3.04Å
76L52.2Low56.1Low78 Ų7892 Ų9241%0.40851%0.514SS..  trans-95.6-24.1-170.9-77.5151.1000115.3I74I74-L76 HydrophobicContact CB-CD1 4.05Å; I74-L76 HydrophobicContact CB-CG 4.23Å; I74-L76 HydrophobicContact CG2-CD1 3.93Å; I74-L76 HydrophobicContact CG2-CD2 4.01Å; I74-L76 HydrophobicContact CG2-CG 3.69Å; I74-L76 PolarHBondContact O-N 2.86Å
77T49.7Very low56.1Low44 Ų4487 Ų8727%0.2749%0.487SS..  trans-120.7109.2-174.146.10000110.9D79T77-D79 PolarHBondContact O-N 3.01Å; T77-D79 VanDerWaalsContact O-N 3.17Å
78P47.9Very low57.1Low123 Ų12385.6 Ų85.680%0.79948%0.477SS*.THydrogen-bonded Turntrans-63.5-14.1173.9-23.735.2000114.9
79D51.3Low58.5Low144 Ų14479.8 Ų79.877%0.7744%0.437SS*.THydrogen-bonded Turntrans-98.6-8.2-166.5-57.1-38.7000114.6T77T77-D79 PolarHBondContact O-N 3.01Å; T77-D79 VanDerWaalsContact O-N 3.17Å
80D51.8Low60.2Low49 Ų4975.5 Ų75.526%0.26241%0.407SS..  trans-104.4110.1-179.2-100.8-14.5000110.6D82 R116 T139 K142D80-D82 PolarHBondContact O-N 3.35Å; D80-R116 IonicContact OD2-NE 2.74Å; D80-T139 PolarHBondContact OD2-OG1 2.83Å; D80-K142 IonicContact OD1-NZ 2.69Å; D80-K142 PolarHBondContact OD1-NZ 3.05Å; D80-K142 IonicContact OD2-NZ 2.8Å; D80-K142 PolarHBondContact OD2-NZ 3.09Å
81N52.2Low61.8Low166 Ų16673.4 Ų73.489%0.88839%0.392SS*.  trans-73.94.1178.8-91.7-47.8000114N83N81-N83 PolarHBondContact O-N 2.98Å
82D57.1Low63.6Low50 Ų5067.4 Ų67.427%0.26736%0.36SS..  trans-76.5112.6170.819.9-58.8000110.2D80 Y84 R116 K142D80-D82 PolarHBondContact O-N 3.35Å; D82-Y84 PolarHBondContact O-N 3.46Å; D82-R116 IonicContact OD2-CZ 3.6Å; D82-R116 IonicContact OD2-NH2 3.01Å; D82-R116 PolarHBondContact OD2-NH2 2.72Å; D82-K142 IonicContact OD1-NZ 2.7Å; D82-K142 PolarHBondContact OD1-NZ 3.37Å; D82-K142 IonicContact OD2-NZ 2.88Å; D82-K142 PolarHBondContact OD2-NZ 2.69Å
83N57.4Low65.3Low152 Ų15259.2 Ų59.281%0.81333%0.325SS*.  trans-58.815.7175.9-72.9-12.2000115.3N81N81-N83 PolarHBondContact O-N 2.98Å
84Y61Low67.1Low30 Ų3055.7 Ų55.712%0.11830%0.301CS..  trans-88.2111.3175.5174.8-101.3000111D82 S86 V115 Y145 F261 D262D82-Y84 PolarHBondContact O-N 3.46Å; Y84-S86 WeakPolarHBondContact OH-CA 3.48Å; Y84-S86 PolarHBondContact OH-OG 3.32Å; Y84-V115 HydrophobicContact CE1-CB 4.47Å; Y84-V115 HydrophobicContact CE1-CG2 3.67Å; Y84-V115 WeakPolarHBondContact OH-CG2 3.34Å; Y84-Y145 WeakPolarHBondContact CD2-OH 3.44Å; Y84-Y145 AromaticContact CG-CZ 3.9Å; Y84-F261 PolarHBondContact OH-O 3.11Å; Y84-F261 VanDerWaalsContact OH-O 3.09Å; Y84-D262 HydrophobicContact CE2-CB 4.18Å; Y84-D262 WeakPolarHBondContact OH-CB 3.41Å
85T61.9Low68.5Low38 Ų3856.1 Ų56.123%0.23331%0.305CS..  trans-97.2131.8168.2-42.70000110.1P73 I74 N75P73-T85 VanDerWaalsContact C-CG2 3.41Å; P73-T85 HydrophobicContact CB-CG2 3.34Å; I74-T85 VanDerWaalsContact C-CG2 3.44Å; I74-T85 VanDerWaalsContact N-CG2 3.27Å; N75-T85 WeakPolarHBondContact OD1-CB 3.4Å; N75-T85 WeakPolarHBondContact OD1-CG2 3.47Å; N75-T85 PolarHBondContact OD1-OG1 3.04Å
86S65Low70.1Confident7 Ų752.3 Ų52.35%0.04928%0.284CS..  trans-79.4143.2178-1660000112.1Y84 D88 E260 F261Y84-S86 WeakPolarHBondContact OH-CA 3.48Å; Y84-S86 PolarHBondContact OH-OG 3.32Å; S86-D88 PolarHBondContact OG-O 2.8Å; S86-E260 WeakPolarHBondContact OG-CB 3.33Å; S86-F261 PolarHBondContact OG-O 3.28Å
87E68.1Low71.8Confident42 Ų4251.4 Ų51.420%0.19628%0.282CS..SBendtrans-101.9-38.1178.5-61.2-167.8169.700111.8T59 W64 R65T59-E87 HydrophobicContact CG2-CB 4.2Å; W64-E87 VanDerWaalsContact CE2-OE2 3.28Å; W64-E87 VanDerWaalsContact CZ2-OE2 3.29Å; W64-E87 WeakPolarHBondContact CZ2-OE2 3.44Å; W64-E87 PolarHBondContact NE1-OE2 3.12Å; R65-E87 IonicContact CZ-OE1 3.84Å; R65-E87 IonicContact NE-OE1 2.93Å; R65-E87 PolarHBondContact NE-OE1 3.41Å; R65-E87 IonicContact NE-OE2 3.59Å; R65-E87 IonicContact NH2-OE1 2.68Å; R65-E87 PolarHBondContact NH2-OE1 3.12Å; R65-E87 IonicContact NH2-OE2 3.9Å
88D79.8Confident73.6Confident2 Ų249.3 Ų49.31%0.01127%0.27CS..EExtended strand (participates in β ladder)trans-117.9142.5171.6-91.9-37.5000112.6S22 S23 F57 R58 T59 S86 F261S22-D88 VanDerWaalsContact CB-OD1 3.27Å; S22-D88 WeakPolarHBondContact CB-OD1 3.28Å; S22-D88 WeakPolarHBondContact OG-CA 3.26Å; S22-D88 PolarHBondContact OG-OD1 2.94Å; S23-D88 VanDerWaalsContact CB-OD1 3.29Å; S23-D88 WeakPolarHBondContact CB-OD1 3.45Å; S23-D88 VanDerWaalsContact OG-CG 3.3Å; S23-D88 PolarHBondContact OG-OD1 2.88Å; S23-D88 PolarHBondContact OG-OD2 2.83Å; F57-D88 HydrophobicContact CB-CB 4.24Å; F57-D88 WeakPolarHBondContact CB-OD2 3.28Å; R58-D88 PolarHBondContact N-OD2 2.84Å; T59-D88 VanDerWaalsContact CB-OD2 3.27Å; T59-D88 WeakPolarHBondContact CB-OD2 3.19Å; T59-D88 WeakPolarHBondContact CG2-OD2 3.36Å; T59-D88 PolarHBondContact N-OD2 3.25Å; T59-D88 VanDerWaalsContact OG1-CG 3.27Å; T59-D88 PolarHBondContact OG1-OD2 2.84Å; S86-D88 PolarHBondContact OG-O 2.8Å; D88-F261 HydrophobicContact CB-CB 3.99Å; D88-F261 HydrophobicContact CB-CD2 4.21Å; D88-F261 PolarHBondContact O-N 3.11Å
89Y88.5Confident75.7Confident22 Ų2245 Ų459%0.08624%0.24CC..EExtended strand (participates in β ladder)trans-151.1161.5174.778.3-88.8000111.7D20 F21 S22 I74 R258 I259D20-Y89 HydrophobicContact CB-CE2 4.39Å; D20-Y89 PolarHBondContact OD1-OH 2.88Å; F21-Y89 WeakPolarHBondContact CA-O 3.39Å; S22-Y89 PolarHBondContact N-O 2.8Å; S22-Y89 VanDerWaalsContact N-O 3.08Å; S22-Y89 PolarHBondContact OG-N 3.5Å; S22-Y89 PolarHBondContact OG-O 2.69Å; S22-Y89 VanDerWaalsContact OG-O 3.14Å; I74-Y89 HydrophobicContact CD1-CD1 4.06Å; I74-Y89 HydrophobicContact CD1-CE1 3.63Å; Y89-R258 HydrophobicContact CD2-CG 4.26Å; Y89-R258 VanDerWaalsContact CG-NH1 3.35Å; Y89-I259 CarbonylContact C-O 3.53Å; Y89-I259 WeakPolarHBondContact CA-O 3.48Å; Y89-I259 WeakPolarHBondContact CB-O 3.26Å
90V90.4Very high77.6Confident1 Ų138.3 Ų38.31%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-137.7136.816867.40000111.6V18 F21 F57 L92 R258 I259 F261V18-V90 HydrophobicContact CG1-CG2 3.55Å; F21-V90 HydrophobicContact CB-CG2 4.32Å; F57-V90 HydrophobicContact CE1-CB 3.92Å; F57-V90 HydrophobicContact CE1-CG2 4.49Å; F57-V90 HydrophobicContact CZ-CB 3.77Å; F57-V90 HydrophobicContact CZ-CG1 3.97Å; F57-V90 HydrophobicContact CZ-CG2 4.29Å; V90-L92 HydrophobicContact CG1-CD1 4.47Å; V90-L92 HydrophobicContact CG1-CD2 4.06Å; V90-L92 HydrophobicContact CG1-CG 4.21Å; V90-L92 HydrophobicContact CG2-CD2 3.68Å; V90-L92 HydrophobicContact CG2-CG 4.47Å; V90-R258 WeakPolarHBondContact O-CA 3.46Å; V90-I259 HydrophobicContact CG1-CB 4.1Å; V90-I259 PolarHBondContact N-O 2.7Å; V90-I259 PolarHBondContact O-N 3.28Å; V90-F261 HydrophobicContact CB-CE2 4.38Å; V90-F261 HydrophobicContact CG1-CE2 3.86Å; V90-F261 HydrophobicContact CG1-CZ 4.09Å
91D91.4Very high79.5Confident10 Ų1039.7 Ų39.75%0.05321%0.214CC..EExtended strand (participates in β ladder)trans-100.5122.8172.9-80.2-2.7000110.9V18 V19 D20 L256 L257 R258V18-D91 WeakPolarHBondContact CA-O 3.46Å; V19-D91 HydrophobicContact CB-CB 4.12Å; V19-D91 PolarHBondContact N-O 3.35Å; D20-D91 HydrophobicContact CB-CB 4.23Å; D20-D91 PolarHBondContact O-N 2.86Å; D91-L256 HydrophobicContact CB-CD1 4.27Å; D91-L257 CarbonylContact C-O 3.59Å; D91-L257 WeakPolarHBondContact CA-O 3.33Å; D91-R258 VanDerWaalsContact OD1-CB 3.22Å; D91-R258 WeakPolarHBondContact OD1-CB 3.3Å; D91-R258 WeakPolarHBondContact OD1-CG 3.29Å; D91-R258 IonicContact OD1-CZ 3.37Å; D91-R258 VanDerWaalsContact OD1-CZ 3.22Å; D91-R258 IonicContact OD1-NE 3.6Å; D91-R258 PolarHBondContact OD1-NE 3.46Å; D91-R258 IonicContact OD1-NH2 3.63Å; D91-R258 PolarHBondContact OD1-NH2 3.48Å; D91-R258 VanDerWaalsContact OD1-NH2 3.09Å; D91-R258 IonicContact OD2-CZ 3.6Å; D91-R258 IonicContact OD2-NE 2.73Å; D91-R258 IonicContact OD2-NH2 3.83Å; D91-R258 PolarHBondContact OD2-NH2 3.25Å
92L93.1Very high81.4Confident1 Ų133.3 Ų33.31%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-116.6120-172.2-54.2178.2000110.3V15 V18 I38 V90 F94 L256 L257 I259 V275V15-L92 HydrophobicContact CG1-CB 4.15Å; V15-L92 HydrophobicContact CG1-CD2 4.1Å; V15-L92 HydrophobicContact CG2-CB 4.04Å; V15-L92 HydrophobicContact CG2-CD1 3.95Å; V15-L92 HydrophobicContact CG2-CD2 4.17Å; V15-L92 HydrophobicContact CG2-CG 4.28Å; V18-L92 HydrophobicContact CG2-CD2 3.86Å; I38-L92 HydrophobicContact CG2-CD2 4.26Å; V90-L92 HydrophobicContact CG1-CD1 4.47Å; V90-L92 HydrophobicContact CG1-CD2 4.06Å; V90-L92 HydrophobicContact CG1-CG 4.21Å; V90-L92 HydrophobicContact CG2-CD2 3.68Å; V90-L92 HydrophobicContact CG2-CG 4.47Å; L92-F94 HydrophobicContact CB-CE2 3.96Å; L92-F94 HydrophobicContact CB-CZ 4.32Å; L92-L256 WeakPolarHBondContact O-CA 3.36Å; L92-L257 PolarHBondContact N-O 3.49Å; L92-L257 PolarHBondContact O-N 3.18Å; L92-I259 HydrophobicContact CD1-CD1 3.61Å; L92-I259 HydrophobicContact CD1-CG1 4.22Å; L92-V275 HydrophobicContact CD1-CB 4.01Å; L92-V275 HydrophobicContact CD1-CG1 4.14Å; L92-V275 HydrophobicContact CD1-CG2 3.82Å
93Y90.7Very high83.2Confident10 Ų1031 Ų314%0.03917%0.169CC..EExtended strand (participates in β ladder)trans-94.9140.1174.7174-110.3000111.6H16 E17 D255 F326H16-Y93 HydrophobicContact CB-CD1 4.24Å; H16-Y93 PolarHBondContact N-O 2.86Å; E17-Y93 HydrophobicContact CB-CD1 4.17Å; E17-Y93 PolarHBondContact N-O 2.84Å; E17-Y93 WeakPolarHBondContact O-CB 3.38Å; E17-Y93 PolarHBondContact O-N 3.02Å; Y93-D255 CarbonylContact C-O 3.58Å; Y93-D255 WeakPolarHBondContact CA-O 3.35Å; Y93-D255 HydrophobicContact CD2-CB 4.25Å; Y93-D255 WeakPolarHBondContact CD2-O 3.3Å; Y93-D255 HydrophobicContact CE2-CB 3.88Å; Y93-F326 HydrophobicContact CE1-CD2 4.27Å; Y93-F326 HydrophobicContact CE2-CD2 4.42Å; Y93-F326 AromaticContact CZ-CD2 3.81Å; Y93-F326 WeakPolarHBondContact OH-CD2 3.37Å; Y93-F326 WeakPolarHBondContact OH-CE2 3.43Å
94F90.5Very high85Confident0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans-121.7137.1179.1-63.8-88.5000109.6Q13 F14 V15 L92 I96 D255 L257 V275 L277Q13-F94 HydrophobicContact CG-CD1 4.03Å; F14-F94 WeakPolarHBondContact O-CD1 3.3Å; V15-F94 HydrophobicContact CB-CE1 4.45Å; V15-F94 HydrophobicContact CG2-CE1 3.86Å; V15-F94 HydrophobicContact CG2-CZ 3.8Å; L92-F94 HydrophobicContact CB-CE2 3.96Å; L92-F94 HydrophobicContact CB-CZ 4.32Å; F94-I96 PolarHBondContact O-N 3.15Å; F94-D255 PolarHBondContact N-O 2.86Å; F94-L257 HydrophobicContact CD2-CG 4.45Å; F94-L257 HydrophobicContact CE2-CB 4.21Å; F94-L257 HydrophobicContact CE2-CD1 3.83Å; F94-L257 HydrophobicContact CE2-CG 3.93Å; F94-L257 HydrophobicContact CZ-CD1 4.35Å; F94-V275 HydrophobicContact CZ-CG1 4.28Å; F94-L277 HydrophobicContact CB-CD2 4.33Å; F94-L277 HydrophobicContact CD1-CB 3.79Å; F94-L277 HydrophobicContact CD1-CD2 4.14Å; F94-L277 HydrophobicContact CD2-CD2 3.74Å; F94-L277 HydrophobicContact CE1-CB 3.51Å; F94-L277 HydrophobicContact CE1-CD2 4.4Å; F94-L277 HydrophobicContact CE2-CB 4.36Å; F94-L277 HydrophobicContact CE2-CD2 4.04Å; F94-L277 HydrophobicContact CG-CB 4.31Å; F94-L277 HydrophobicContact CG-CD2 3.79Å; F94-L277 HydrophobicContact CZ-CB 3.82Å; F94-L277 HydrophobicContact CZ-CD2 4.35Å
95D85.4Confident86.6Confident75 Ų7523.7 Ų23.740%0.40113%0.131SC..EExtended strand (participates in β ladder)trans-62.7-42.4-169.8-151.3-8.8000112.5H16H16-D95 HydrophobicContact CB-CB 4.26Å; H16-D95 IonicContact CE1-OD1 3.16Å; H16-D95 IonicContact CE1-OD2 3.85Å; H16-D95 PolarHBondContact CE1-OD2 2.62Å; H16-D95 IonicContact ND1-OD1 2.69Å; H16-D95 IonicContact ND1-OD2 2.85Å; H16-D95 PolarHBondContact ND1-OD2 2.92Å
96I86.1Confident88.2Confident55 Ų5522.9 Ų22.928%0.28212%0.124SC..EExtended strand (participates in β ladder)trans-103.9118.9-178.4-60.6171.2000109.3V11 Q13 F94 V98 A281V11-I96 HydrophobicContact CG1-CB 4.4Å; V11-I96 HydrophobicContact CG1-CD1 3.94Å; V11-I96 HydrophobicContact CG1-CG2 4.44Å; V11-I96 HydrophobicContact CG2-CG2 4.41Å; Q13-I96 PolarHBondContact NE2-O 2.85Å; Q13-I96 VanDerWaalsContact OE1-N 3.08Å; F94-I96 PolarHBondContact O-N 3.15Å; I96-V98 HydrophobicContact CG2-CG1 4.3Å; I96-V98 PolarHBondContact O-N 2.92Å; I96-A281 HydrophobicContact CG2-CB 3.72Å
97P87.7Confident89.5Confident59 Ų5922.5 Ų22.538%0.38312%0.122SC..EExtended strand (participates in β ladder)trans-61.6126.4171.3-20.531.3000111.2P253 T254 D255P97-P253 HydrophobicContact CB-CB 3.62Å; P97-T254 WeakPolarHBondContact CA-O 3.33Å; P97-D255 HydrophobicContact CB-CB 4.18Å; P97-D255 HydrophobicContact CG-CB 4.06Å
98V89.3Confident90.5Very high0 Ų020.5 Ų20.50%011%0.113CC..EExtended strand (participates in β ladder)trans-129.2152.7-179.9-68.80000112.3V11 I96 P100 P253 T254 L277 W280 A281V11-V98 HydrophobicContact CB-CG1 4.02Å; V11-V98 HydrophobicContact CG1-CG1 4.42Å; I96-V98 HydrophobicContact CG2-CG1 4.3Å; I96-V98 PolarHBondContact O-N 2.92Å; V98-P100 VanDerWaalsContact O-CD 3.3Å; V98-P100 WeakPolarHBondContact O-CD 3.46Å; V98-P253 WeakPolarHBondContact O-CA 3.16Å; V98-T254 PolarHBondContact N-O 3.2Å; V98-T254 PolarHBondContact O-N 2.67Å; V98-L277 HydrophobicContact CG2-CD1 4.35Å; V98-L277 HydrophobicContact CG2-CD2 3.57Å; V98-L277 HydrophobicContact CG2-CG 3.79Å; V98-W280 CarbonylContact C-O 3.49Å; V98-W280 WeakPolarHBondContact CA-O 3.39Å; V98-A281 HydrophobicContact CG1-CB 4.12Å
99I90.5Very high90.8Very high33 Ų3323 Ų2317%0.16912%0.122CC..EExtended strand (participates in β ladder)trans-78.6111.8160.4-60.9176.7000107W8 I249 P253 G279 W280W8-I99 HydrophobicContact CH2-CD1 3.72Å; W8-I99 HydrophobicContact CH2-CG1 4.44Å; W8-I99 HydrophobicContact CZ3-CD1 3.65Å; W8-I99 HydrophobicContact CZ3-CG1 4.07Å; I99-I249 HydrophobicContact CG2-CG2 3.7Å; I99-P253 HydrophobicContact CG1-CG 4.36Å; I99-G279 CarbonylContact O-C 3.59Å; I99-G279 WeakPolarHBondContact O-CA 3.31Å; I99-W280 PolarHBondContact N-O 3.01Å; I99-W280 PolarHBondContact O-N 2.58Å
100P91.6Very high90.6Very high2 Ų222.1 Ų22.11%0.01312%0.119CC..EExtended strand (participates in β ladder)trans-63.6136.6-171.4-25.337.1000113.1V98 L140 L246 I249 T254 L277V98-P100 VanDerWaalsContact O-CD 3.3Å; V98-P100 WeakPolarHBondContact O-CD 3.46Å; P100-L140 HydrophobicContact CB-CD1 4.47Å; P100-L140 HydrophobicContact CG-CD1 4.35Å; P100-L246 HydrophobicContact CB-CD1 3.92Å; P100-I249 WeakPolarHBondContact O-CD1 3.27Å; P100-T254 HydrophobicContact CG-CG2 3.56Å; P100-L277 HydrophobicContact CB-CD1 4.02Å; P100-L277 HydrophobicContact CG-CD1 4.41Å
101V90.9Very high90.3Very high78 Ų7822.6 Ų22.647%0.47312%0.122SC..EExtended strand (participates in β ladder)trans-119.8-42.1176.21740000110.9S278 W280V101-S278 PolarHBondContact N-O 2.54Å; V101-W280 VanDerWaalsContact CG2-CD1 3.43Å; V101-W280 HydrophobicContact CG2-CG 4.48Å
102C93.1Very high89.7Confident33 Ų3322.3 Ų22.322%0.22312%0.122CC..EExtended strand (participates in β ladder)trans-145.3144.5178-175.30000110.2Q243 S278C102-Q243 VanDerWaalsContact SG-CD 3.56Å; C102-S278 PolarHBondContact N-O 2.9Å; C102-S278 PolarHBondContact O-N 2.81Å
103L94.8Very high89.3Confident1 Ų122.3 Ų22.31%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-130.3126.7175-177.567.6000107.9I105 I117 L246 L257 V275 L277L103-I105 HydrophobicContact CD2-CD1 4.16Å; L103-I105 HydrophobicContact CG-CD1 4.41Å; L103-I105 HydrophobicContact CG-CG1 4.35Å; L103-I117 HydrophobicContact CD2-CD1 3.95Å; L103-I117 HydrophobicContact CD2-CG2 3.8Å; L103-L246 HydrophobicContact CB-CD1 4.27Å; L103-L246 HydrophobicContact CB-CD2 4.37Å; L103-L257 HydrophobicContact CD1-CD1 3.8Å; L103-L257 HydrophobicContact CD2-CD1 4.1Å; L103-V275 HydrophobicContact CD1-CG1 3.58Å; L103-V275 HydrophobicContact CG-CG1 4.39Å; L103-L277 HydrophobicContact CD1-CB 4.24Å; L103-L277 HydrophobicContact CD1-CD1 4.27Å
104Q95.3Very high89.2Confident28 Ų2821.9 Ų21.913%0.13112%0.12CC..EExtended strand (participates in β ladder)trans-119119.1179.8-54.4-174.3-65.900108.4Y106 I241 Q243 V275 R276Q104-Y106 HydrophobicContact CB-CE2 3.93Å; Q104-I241 HydrophobicContact CB-CG2 3.87Å; Q104-I241 HydrophobicContact CG-CG2 4.41Å; Q104-Q243 HydrophobicContact CG-CG 4.28Å; Q104-V275 WeakPolarHBondContact O-CA 3.31Å; Q104-R276 HydrophobicContact CB-CB 4.33Å; Q104-R276 PolarHBondContact N-O 3.14Å; Q104-R276 PolarHBondContact O-N 3.1Å
105I95.2Very high89Confident0 Ų022 Ų220%012%0.121CC..EExtended strand (participates in β ladder)trans-111.9125.3179.1-63.4157.6000107.7L103 E107 I114 I117 I241 F242 I259 I272 V275L103-I105 HydrophobicContact CD2-CD1 4.16Å; L103-I105 HydrophobicContact CG-CD1 4.41Å; L103-I105 HydrophobicContact CG-CG1 4.35Å; I105-E107 HydrophobicContact CG2-CG 4.4Å; I105-I114 HydrophobicContact CB-CD1 4.42Å; I105-I114 HydrophobicContact CD1-CD1 4.18Å; I105-I114 HydrophobicContact CG2-CD1 3.77Å; I105-I117 HydrophobicContact CD1-CD1 3.72Å; I105-I241 CarbonylContact O-C 3.38Å; I105-I241 WeakPolarHBondContact O-CA 3.49Å; I105-F242 HydrophobicContact CB-CB 4.43Å; I105-F242 HydrophobicContact CD1-CD1 4.09Å; I105-F242 PolarHBondContact N-O 3.45Å; I105-F242 PolarHBondContact O-N 3.26Å; I105-I259 HydrophobicContact CD1-CD1 3.69Å; I105-I259 HydrophobicContact CD1-CG1 4.43Å; I105-I259 HydrophobicContact CG1-CD1 4.04Å; I105-I272 HydrophobicContact CG2-CD1 3.79Å; I105-I272 HydrophobicContact CG2-CG1 4.1Å; I105-I272 HydrophobicContact CG2-CG2 4.29Å; I105-V275 HydrophobicContact CB-CG2 4.41Å; I105-V275 HydrophobicContact CG1-CB 4.49Å; I105-V275 HydrophobicContact CG1-CG1 3.87Å; I105-V275 HydrophobicContact CG1-CG2 3.97Å; I105-V275 HydrophobicContact CG2-CG2 4.15Å
106Y94.6Very high89.2Confident21 Ų2119 Ų198%0.08210%0.104CC..EExtended strand (participates in β ladder)trans-100.295.5-173-63.6-100.9000109.3F14 C42 Y45 Q104 I241 I272 D273 A274 R276F14-Y106 HydrophobicContact CE1-CE2 4.38Å; C42-Y106 WeakPolarHBondContact SG-CD1 3.36Å; Y45-Y106 AromaticContact CD1-CD1 3.72Å; Y45-Y106 HydrophobicContact CD1-CD1 3.72Å; Y45-Y106 HydrophobicContact CD1-CE1 4.11Å; Y45-Y106 HydrophobicContact CD2-CD1 4.23Å; Y45-Y106 HydrophobicContact CE1-CD1 4.21Å; Y45-Y106 HydrophobicContact CE1-CE1 4.37Å; Y45-Y106 AromaticContact CG-CD1 3.76Å; Y45-Y106 HydrophobicContact CG-CD1 3.76Å; Q104-Y106 HydrophobicContact CB-CE2 3.93Å; Y106-I241 HydrophobicContact CD1-CD1 4.17Å; Y106-I241 HydrophobicContact CD1-CG1 3.79Å; Y106-I241 HydrophobicContact CE1-CD1 3.62Å; Y106-I241 HydrophobicContact CE1-CG1 3.76Å; Y106-I241 HydrophobicContact CE1-CG2 4.35Å; Y106-I272 WeakPolarHBondContact O-CA 3.43Å; Y106-D273 PolarHBondContact O-N 3.31Å; Y106-A274 HydrophobicContact CD2-CB 4.22Å; Y106-A274 WeakPolarHBondContact CD2-O 3.43Å; Y106-A274 PolarHBondContact N-O 3.45Å; Y106-R276 HydrophobicContact CE2-CB 4.06Å
107E91.9Very high89.5Confident0 Ų016.4 Ų16.40%09%0.09CC..EExtended strand (participates in β ladder)trans-89.8115.5177-68.7164.7103.100109.9I105 P111 G112 I114 S239 R240 F242 T270 Q271 I272I105-E107 HydrophobicContact CG2-CG 4.4Å; E107-P111 HydrophobicContact CB-CB 3.72Å; E107-P111 HydrophobicContact CG-CB 4.29Å; E107-P111 VanDerWaalsContact OE1-CA 3.28Å; E107-P111 WeakPolarHBondContact OE1-CA 3.45Å; E107-G112 PolarHBondContact OE1-N 2.96Å; E107-I114 HydrophobicContact CG-CD1 4.21Å; E107-S239 WeakPolarHBondContact O-CA 3.5Å; E107-R240 HydrophobicContact CB-CB 4.45Å; E107-R240 VanDerWaalsContact CD-NH2 3.28Å; E107-R240 PolarHBondContact N-O 3.01Å; E107-R240 PolarHBondContact O-N 3.33Å; E107-R240 IonicContact OE1-CZ 3.87Å; E107-R240 IonicContact OE1-NH2 2.98Å; E107-R240 PolarHBondContact OE1-NH2 2.7Å; E107-R240 IonicContact OE2-CZ 3.13Å; E107-R240 IonicContact OE2-NE 2.72Å; E107-R240 PolarHBondContact OE2-NE 2.69Å; E107-R240 IonicContact OE2-NH2 2.75Å; E107-R240 PolarHBondContact OE2-NH2 3.19Å; E107-F242 WeakPolarHBondContact OE2-CB 3.49Å; E107-T270 HydrophobicContact CB-CG2 4.49Å; E107-T270 HydrophobicContact CG-CG2 4Å; E107-Q271 VanDerWaalsContact CA-O 3.26Å; E107-Q271 WeakPolarHBondContact CA-O 3.49Å; E107-I272 HydrophobicContact CG-CG1 4.4Å
108T89.5Confident89.6Confident0 Ų013.7 Ų13.70%07%0.073CC..EExtended strand (participates in β ladder)trans-100.3-20.6-17646.60000114.2V44 Y45 Y48 C49 T54 Q271 D273V44-T108 HydrophobicContact CB-CG2 4.05Å; V44-T108 HydrophobicContact CG1-CG2 3.95Å; Y45-T108 HydrophobicContact CD2-CG2 4.37Å; Y48-T108 WeakPolarHBondContact CA-O 3.36Å; Y48-T108 WeakPolarHBondContact CD2-O 3.45Å; C49-T108 PolarHBondContact N-O 3.08Å; T54-T108 WeakPolarHBondContact CG2-OG1 3.41Å; T108-Q271 PolarHBondContact N-O 2.9Å; T108-Q271 VanDerWaalsContact N-O 3.15Å; T108-D273 HydrophobicContact CG2-CB 3.61Å
109Y86.6Confident89.7Confident53 Ų5313.7 Ų13.721%0.2087%0.073CC..EExtended strand (participates in β ladder)trans-139.4139177.5-159.2-126.1000111.5Y48 D50 Y268 T270 Q271Y48-Y109 HydrophobicContact CD1-CD2 4.44Å; Y48-Y109 AromaticContact CE1-CD2 3.8Å; Y48-Y109 HydrophobicContact CE1-CD2 3.8Å; Y48-Y109 AromaticContact CE1-CE2 3.79Å; Y48-Y109 HydrophobicContact CE1-CE2 3.79Å; Y48-Y109 AromaticContact CE2-CD2 3.95Å; Y48-Y109 HydrophobicContact CE2-CD2 3.95Å; Y48-Y109 AromaticContact CZ-CD2 3.51Å; Y48-Y109 AromaticContact CZ-CE2 3.8Å; D50-Y109 HydrophobicContact CB-CD1 4.01Å; D50-Y109 HydrophobicContact CB-CD2 4.42Å; D50-Y109 HydrophobicContact CB-CE1 3.76Å; D50-Y109 HydrophobicContact CB-CE2 4.23Å; D50-Y109 HydrophobicContact CB-CG 4.32Å; D50-Y109 WeakPolarHBondContact OD2-CE1 3.12Å; Y109-Y268 AromaticContact CE1-CD1 3.84Å; Y109-Y268 HydrophobicContact CE1-CD1 3.84Å; Y109-Y268 HydrophobicContact CE1-CE1 4.11Å; Y109-T270 WeakPolarHBondContact O-CA 3.36Å; Y109-Q271 HydrophobicContact CD1-CG 4.42Å; Y109-Q271 PolarHBondContact O-N 2.57Å
110N83.5Confident89.4Confident5 Ų512.1 Ų12.13%0.0277%0.065CC..SBendtrans31.763.5-172.9-156.26.5000115.6Y48 R176 K267 Y268 T270Y48-N110 PolarHBondContact OH-N 3.37Å; N110-R176 PolarHBondContact OD1-NH2 2.74Å; N110-K267 PolarHBondContact ND2-N 3.3Å; N110-Y268 WeakPolarHBondContact ND2-CA 3.42Å; N110-Y268 WeakPolarHBondContact ND2-CB 3.13Å; N110-Y268 PolarHBondContact ND2-N 3.42Å; N110-Y268 PolarHBondContact ND2-O 3.42Å; N110-Y268 VanDerWaalsContact ND2-O 3.12Å; N110-T270 WeakPolarHBondContact O-CB 3.48Å; N110-T270 PolarHBondContact O-OG1 2.78Å
111P84Confident88.7Confident11 Ų1112.4 Ų12.47%0.0717%0.066CC..  trans-61.9138.1179.825-35000112.5E107 Q238 R240E107-P111 HydrophobicContact CB-CB 3.72Å; E107-P111 HydrophobicContact CG-CB 4.29Å; E107-P111 VanDerWaalsContact OE1-CA 3.28Å; E107-P111 WeakPolarHBondContact OE1-CA 3.45Å; P111-Q238 WeakPolarHBondContact CG-O 3.48Å; P111-R240 HydrophobicContact CB-CB 4Å; P111-R240 HydrophobicContact CG-CB 4.21Å
112G79.7Confident87.4Confident4 Ų412.2 Ų12.24%0.0416%0.057CC..  trans161.9-34.5177.200000116.9E107 I114 Q175 Q179E107-G112 PolarHBondContact OE1-N 2.96Å; G112-I114 VanDerWaalsContact C-N 3.32Å; G112-I114 PolarHBondContact O-N 2.93Å; G112-Q175 PolarHBondContact O-NE2 3.12Å; G112-Q179 PolarHBondContact O-NE2 2.9Å; G112-Q179 PolarHBondContact O-OE1 2.89Å
113A84.4Confident85.6Confident1 Ų118.3 Ų18.31%0.0088%0.082CC..  trans-70.5-15.7-160.700000116.1V115 F261 D262 C266 T270A113-V115 PolarHBondContact O-N 3.45Å; A113-F261 HydrophobicContact CB-CB 4.37Å; A113-F261 HydrophobicContact CB-CD1 4.25Å; A113-F261 CarbonylContact O-C 3.58Å; A113-F261 WeakPolarHBondContact O-CA 3.45Å; A113-D262 PolarHBondContact O-N 2.69Å; A113-C266 PolarHBondContact N-SG 2.93Å; A113-C266 VanDerWaalsContact N-SG 3.42Å; A113-T270 WeakPolarHBondContact CB-OG1 3.27Å
114I88.4Confident83.5Confident0 Ų021.6 Ų21.60%010%0.097CC..EExtended strand (participates in β ladder)trans-69.4123.8-173.6-58159.1000111I105 E107 G112 I117 W141 F242 I259 F261I105-I114 HydrophobicContact CB-CD1 4.42Å; I105-I114 HydrophobicContact CD1-CD1 4.18Å; I105-I114 HydrophobicContact CG2-CD1 3.77Å; E107-I114 HydrophobicContact CG-CD1 4.21Å; G112-I114 VanDerWaalsContact C-N 3.32Å; G112-I114 PolarHBondContact O-N 2.93Å; I114-I117 HydrophobicContact CG2-CD1 4.18Å; I114-I117 HydrophobicContact CG2-CG1 4.1Å; I114-W141 HydrophobicContact CG2-CZ3 4.08Å; I114-F242 HydrophobicContact CB-CD1 4.43Å; I114-F242 HydrophobicContact CB-CE1 4.12Å; I114-F242 HydrophobicContact CD1-CD1 3.69Å; I114-F242 HydrophobicContact CD1-CE1 4.23Å; I114-F242 HydrophobicContact CD1-CG 4.43Å; I114-F242 HydrophobicContact CG2-CD1 4.33Å; I114-F242 HydrophobicContact CG2-CE1 3.77Å; I114-I259 HydrophobicContact CG1-CG2 4.12Å; I114-I259 HydrophobicContact CG2-CG2 3.81Å; I114-F261 HydrophobicContact CG1-CD1 3.93Å; I114-F261 HydrophobicContact CG1-CE1 3.67Å
115V87.2Confident81.2Confident3 Ų324.7 Ų24.72%0.01812%0.12CC..EExtended strand (participates in β ladder)trans-124.4-28.1-174.2-740000115.5Y84 A113 W141 K142 L143 E260 D262Y84-V115 HydrophobicContact CE1-CB 4.47Å; Y84-V115 HydrophobicContact CE1-CG2 3.67Å; Y84-V115 WeakPolarHBondContact OH-CG2 3.34Å; A113-V115 PolarHBondContact O-N 3.45Å; V115-W141 VanDerWaalsContact C-CZ3 3.48Å; V115-W141 WeakPolarHBondContact O-CZ3 3.43Å; V115-K142 CarbonylContact O-C 3.31Å; V115-K142 VanDerWaalsContact O-CA 3.29Å; V115-K142 WeakPolarHBondContact O-CA 3.36Å; V115-L143 HydrophobicContact CB-CB 4.49Å; V115-L143 HydrophobicContact CG1-CD2 4.01Å; V115-L143 PolarHBondContact O-N 2.85Å; V115-E260 HydrophobicContact CG2-CB 4.41Å; V115-E260 WeakPolarHBondContact CG2-O 3.44Å; V115-E260 PolarHBondContact N-O 2.76Å; V115-D262 HydrophobicContact CB-CB 4.4Å; V115-D262 HydrophobicContact CG1-CB 3.55Å; V115-D262 HydrophobicContact CG2-CB 3.96Å
116R88.6Confident78.6Confident12 Ų1233.9 Ų33.95%0.04516%0.162CC..EExtended strand (participates in β ladder)trans-144.6143.1176.3-172.1-176.6-71.1120.6-10.5109.5D80 D82 T139 W141 K142 E260D80-R116 IonicContact OD2-NE 2.74Å; D82-R116 IonicContact OD2-CZ 3.6Å; D82-R116 IonicContact OD2-NH2 3.01Å; D82-R116 PolarHBondContact OD2-NH2 2.72Å; R116-T139 HydrophobicContact CG-CG2 3.76Å; R116-W141 CarbonylContact C-O 3.51Å; R116-W141 WeakPolarHBondContact CA-O 3.48Å; R116-K142 HydrophobicContact CB-CB 4.35Å; R116-K142 HydrophobicContact CG-CB 4.17Å; R116-E260 HydrophobicContact CB-CB 4Å; R116-E260 WeakPolarHBondContact CD-OE2 3.44Å; R116-E260 IonicContact CZ-OE2 3.17Å; R116-E260 IonicContact NE-OE2 2.66Å; R116-E260 IonicContact NH1-OE2 3.59Å; R116-E260 PolarHBondContact NH1-OE2 3.34Å; R116-E260 PolarHBondContact O-N 2.98Å
117I92.5Very high76.3Confident0 Ų040.5 Ų40.50%020%0.199CC..EExtended strand (participates in β ladder)trans-132.3125.1174.2-59.5176.9000107.9L103 I105 I114 L140 W141 F242 P244 R258 I259L103-I117 HydrophobicContact CD2-CD1 3.95Å; L103-I117 HydrophobicContact CD2-CG2 3.8Å; I105-I117 HydrophobicContact CD1-CD1 3.72Å; I114-I117 HydrophobicContact CG2-CD1 4.18Å; I114-I117 HydrophobicContact CG2-CG1 4.1Å; I117-L140 PolarHBondContact O-N 3.18Å; I117-W141 HydrophobicContact CB-CB 4.45Å; I117-W141 HydrophobicContact CD1-CE3 4.28Å; I117-W141 HydrophobicContact CG1-CE3 4.13Å; I117-W141 PolarHBondContact N-O 3.2Å; I117-W141 PolarHBondContact O-N 3.11Å; I117-W141 VanDerWaalsContact O-N 3.12Å; I117-F242 HydrophobicContact CD1-CE1 4.28Å; I117-P244 HydrophobicContact CD1-CG 3.78Å; I117-R258 WeakPolarHBondContact CA-O 3.31Å; I117-I259 HydrophobicContact CG1-CG2 4.48Å
118S90.6Very high73.9Confident3 Ų343 Ų432%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-128.5141-172.1-61.50000111.1I138 L257 R258S118-I138 CarbonylContact C-O 3.58Å; S118-I138 VanDerWaalsContact CA-O 3.3Å; S118-I138 WeakPolarHBondContact CA-O 3.4Å; S118-L257 CarbonylContact O-C 3.48Å; S118-L257 WeakPolarHBondContact O-CA 3.32Å; S118-R258 PolarHBondContact N-O 3.39Å; S118-R258 PolarHBondContact O-N 3.13Å
119A90.3Very high71.5Confident0 Ų049.5 Ų49.50%026%0.259CS..EExtended strand (participates in β ladder)trans-105.1142.417400000111.4Y121 W137 I138 L140 T254 L257A119-Y121 HydrophobicContact CB-CE2 3.83Å; A119-W137 CarbonylContact O-C 3.55Å; A119-W137 WeakPolarHBondContact O-CA 3.44Å; A119-I138 PolarHBondContact N-O 3.19Å; A119-I138 PolarHBondContact O-N 3.37Å; A119-L140 HydrophobicContact CB-CD1 3.75Å; A119-L140 HydrophobicContact CB-CD2 4.11Å; A119-L140 HydrophobicContact CB-CG 3.82Å; A119-T254 HydrophobicContact CB-CG2 4.08Å; A119-L257 HydrophobicContact CB-CD2 3.63Å
120C84.8Confident68.9Low0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-97.4125.6173.7-158.60000110.8Q136 W137 T254 L256C120-Q136 WeakPolarHBondContact CA-O 3.42Å; C120-W137 HydrophobicContact CB-CD2 3.93Å; C120-W137 HydrophobicContact CB-CE3 3.71Å; C120-W137 HydrophobicContact CB-CH2 3.91Å; C120-W137 HydrophobicContact CB-CZ2 4.09Å; C120-W137 HydrophobicContact CB-CZ3 3.69Å; C120-T254 WeakPolarHBondContact O-CB 3.33Å; C120-T254 PolarHBondContact O-OG1 3.34Å; C120-L256 HydrophobicContact CB-CB 4.04Å; C120-L256 HydrophobicContact CB-CD2 3.8Å; C120-L256 HydrophobicContact CB-CG 4.02Å; C120-L256 PolarHBondContact N-O 3.2Å
121Y77.1Confident66.8Low7 Ų756.5 Ų56.53%0.02730%0.302CS..EExtended strand (participates in β ladder)trans-110.5125.3175.4-62.4-78.7000109.7A119 Q136 I138 R250 Y252 T254A119-Y121 HydrophobicContact CB-CE2 3.83Å; Y121-Q136 PolarHBondContact N-O 2.99Å; Y121-Q136 PolarHBondContact O-N 3.36Å; Y121-I138 HydrophobicContact CD2-CB 4.32Å; Y121-I138 HydrophobicContact CD2-CD1 3.73Å; Y121-I138 HydrophobicContact CD2-CG1 4.01Å; Y121-I138 HydrophobicContact CE2-CB 4.07Å; Y121-I138 HydrophobicContact CE2-CD1 3.89Å; Y121-I138 HydrophobicContact CE2-CG1 4.2Å; Y121-R250 HydrophobicContact CD1-CB 4.23Å; Y121-R250 HydrophobicContact CD2-CG 4.03Å; Y121-R250 HydrophobicContact CE1-CB 3.8Å; Y121-R250 HydrophobicContact CE1-CG 4.31Å; Y121-R250 HydrophobicContact CE2-CB 4.11Å; Y121-R250 HydrophobicContact CE2-CG 3.72Å; Y121-R250 HydrophobicContact CG-CG 4.42Å; Y121-R250 PolarHBondContact OH-N 3.15Å; Y121-Y252 VanDerWaalsContact CE1-O 3.29Å; Y121-Y252 WeakPolarHBondContact CE1-O 3.27Å; Y121-T254 HydrophobicContact CE1-CG2 4.14Å
122R63.1Low64.8Low74 Ų7463.8 Ų63.828%0.27934%0.34SS..  trans-93.2-5.8-171.5-60-175.7-174.5157.37.9115.1L135 D255R122-L135 HydrophobicContact CG-CD2 4.16Å; R122-D255 IonicContact CZ-OD1 2.74Å; R122-D255 IonicContact CZ-OD2 2.67Å; R122-D255 IonicContact NE-OD1 3.61Å; R122-D255 PolarHBondContact NE-OD1 2.76Å; R122-D255 IonicContact NE-OD2 3.47Å; R122-D255 IonicContact NH1-OD1 3.73Å; R122-D255 IonicContact NH1-OD2 3.94Å; R122-D255 PolarHBondContact NH1-OD2 3.08Å; R122-D255 IonicContact NH2-OD1 2.76Å; R122-D255 PolarHBondContact NH2-OD1 3.45Å; R122-D255 IonicContact NH2-OD2 3.34Å; R122-D255 PolarHBondContact NH2-OD2 3.06Å
123H55.2Low63.2Low162 Ų16270 Ų7075%0.7536%0.362SS*.  trans-123.9127-177.5-72.772.9000110.2
124Q50.2Low61.6Low70 Ų7077.4 Ų77.433%0.32739%0.394SS..  trans-126.7151.7175.3-79.4-170.3-3400110.7
125P47.2Very low60.3Low93 Ų9379.9 Ų79.960%0.60441%0.407SS*.  trans-62.4154.9162.9-17.832000111.7N127P125-N127 PolarHBondContact O-N 2.91Å
126E41.5Very low59.2Low192 Ų19282.5 Ų82.590%0.89742%0.419SS*.THydrogen-bonded Turntrans-67.4-9.2-165.4-58.4-179123.400116.4
127N46Very low58.8Low160 Ų16085 Ų8586%0.85643%0.428SS*.THydrogen-bonded Turntrans-10924.7-158.1-69.7-22.2000116.3P125P125-N127 PolarHBondContact O-N 2.91Å
128S41.4Very low58.3Low52 Ų5286 Ų8636%0.36443%0.434SS..SBendtrans-131.7140.2173.455.20000112.2V130S128-V130 WeakPolarHBondContact O-CG2 3.42Å; S128-V130 PolarHBondContact O-N 3.37Å
129P38.4Very low58.2Low137 Ų13786.7 Ų86.789%0.8944%0.438SS*.  trans-67.2132.8-177.728.4-34.7000111.1
130V33.5Very low58.2Low72 Ų7286.7 Ų86.744%0.43644%0.438SS..  trans-111.3132.6-162.9-160.60000111.6S128 K134S128-V130 WeakPolarHBondContact O-CG2 3.42Å; S128-V130 PolarHBondContact O-N 3.37Å; V130-K134 HydrophobicContact CG1-CB 4.1Å; V130-K134 HydrophobicContact CG1-CG 3.94Å
131N38.8Very low58.6Low133 Ų13388.1 Ų88.171%0.71144%0.443SS*.  trans-60.9146.5168.4-161.5-9.9000109.8R133 K134N131-R133 PolarHBondContact O-N 2.94Å; N131-K134 PolarHBondContact O-N 2.98Å
132L41.5Very low59Low164 Ų16490.5 Ų90.586%0.85945%0.454SS*.THydrogen-bonded Turntrans-54.4-8.3-157.1-81.6165.7000118
133R46.3Very low59.9Low136 Ų13687.8 Ų87.851%0.51344%0.444SS..THydrogen-bonded Turntrans-113.6-0-179.6-64.7-174.5175.4-160.7-3.1115.9N131 L135 L330N131-R133 PolarHBondContact O-N 2.94Å; R133-L135 VanDerWaalsContact C-N 3.27Å; R133-L135 HydrophobicContact CB-CD1 4.34Å; R133-L135 HydrophobicContact CB-CG 4.22Å; R133-L135 PolarHBondContact O-N 2.8Å; R133-L330 PolarHBondContact NH1-O 2.74Å
134K51.5Low60.6Low156 Ų15686.6 Ų86.668%0.67844%0.444SS*.  trans57.531.5-175.8-54-169.5172.7-173.20115.7V130 N131V130-K134 HydrophobicContact CG1-CB 4.1Å; V130-K134 HydrophobicContact CG1-CG 3.94Å; N131-K134 PolarHBondContact O-N 2.98Å
135L59.8Low61Low51 Ų5184.9 Ų84.927%0.26743%0.434SS..  trans-104.8126.4175.2-61180000109.8R122 R133 L330R122-L135 HydrophobicContact CG-CD2 4.16Å; R133-L135 VanDerWaalsContact C-N 3.27Å; R133-L135 HydrophobicContact CB-CD1 4.34Å; R133-L135 HydrophobicContact CB-CG 4.22Å; R133-L135 PolarHBondContact O-N 2.8Å; L135-L330 HydrophobicContact CD1-CD2 3.92Å; L135-L330 HydrophobicContact CD2-CD2 4.44Å
136Q65.8Low61.4Low59 Ų5983 Ų8328%0.27642%0.424SS..EExtended strand (participates in β ladder)trans-108.3114.3169.1-177.117113.200110C120 Y121 I138C120-Q136 WeakPolarHBondContact CA-O 3.42Å; Y121-Q136 PolarHBondContact N-O 2.99Å; Y121-Q136 PolarHBondContact O-N 3.36Å; Q136-I138 HydrophobicContact CG-CD1 4.33Å; Q136-I138 HydrophobicContact CG-CG1 4Å
137W78.2Confident61.4Low63 Ų6379.8 Ų79.824%0.23941%0.413CS..EExtended strand (participates in β ladder)trans-83.6142.1167.4-69.1101.2000110.5A119 C120 L256 R258A119-W137 CarbonylContact O-C 3.55Å; A119-W137 WeakPolarHBondContact O-CA 3.44Å; C120-W137 HydrophobicContact CB-CD2 3.93Å; C120-W137 HydrophobicContact CB-CE3 3.71Å; C120-W137 HydrophobicContact CB-CH2 3.91Å; C120-W137 HydrophobicContact CB-CZ2 4.09Å; C120-W137 HydrophobicContact CB-CZ3 3.69Å; W137-L256 HydrophobicContact CH2-CD2 4.02Å; W137-L256 HydrophobicContact CH2-CG 3.89Å; W137-L256 HydrophobicContact CZ2-CD2 4.19Å; W137-R258 HydrophobicContact CE3-CB 4.25Å; W137-R258 HydrophobicContact CH2-CB 3.82Å; W137-R258 HydrophobicContact CZ3-CB 3.55Å
138I83.8Confident61.3Low22 Ų2279.4 Ų79.411%0.11341%0.405CS..EExtended strand (participates in β ladder)trans-138.4122.9176.6-58.6-175.6000109.1S118 A119 Y121 Q136 L140 N248 R250S118-I138 CarbonylContact C-O 3.58Å; S118-I138 VanDerWaalsContact CA-O 3.3Å; S118-I138 WeakPolarHBondContact CA-O 3.4Å; A119-I138 PolarHBondContact N-O 3.19Å; A119-I138 PolarHBondContact O-N 3.37Å; Y121-I138 HydrophobicContact CD2-CB 4.32Å; Y121-I138 HydrophobicContact CD2-CD1 3.73Å; Y121-I138 HydrophobicContact CD2-CG1 4.01Å; Y121-I138 HydrophobicContact CE2-CB 4.07Å; Y121-I138 HydrophobicContact CE2-CD1 3.89Å; Y121-I138 HydrophobicContact CE2-CG1 4.2Å; Q136-I138 HydrophobicContact CG-CD1 4.33Å; Q136-I138 HydrophobicContact CG-CG1 4Å; I138-L140 PolarHBondContact O-N 3.17Å; I138-L140 VanDerWaalsContact O-N 3.12Å; I138-N248 HydrophobicContact CG2-CB 3.88Å; I138-R250 HydrophobicContact CD1-CG 3.62Å
139T87.5Confident61.6Low17 Ų1779 Ų7910%0.10440%0.399CS..EExtended strand (participates in β ladder)trans-61.7108.4173.9-53.80000110.4D80 R116 W141 K142 N248D80-T139 PolarHBondContact OD2-OG1 2.83Å; R116-T139 HydrophobicContact CG-CG2 3.76Å; T139-W141 WeakPolarHBondContact CG2-O 3.46Å; T139-K142 HydrophobicContact CG2-CB 3.94Å; T139-K142 HydrophobicContact CG2-CD 4.15Å; T139-K142 HydrophobicContact CG2-CG 4.02Å; T139-N248 PolarHBondContact O-ND2 2.94Å
140L91.2Very high61.7Low0 Ų077.6 Ų77.60%038%0.379CS..EExtended strand (participates in β ladder)trans-80.5-33.5173.9-63.7-172.5000111.6P100 I117 A119 I138 L246 S247 I249 L257P100-L140 HydrophobicContact CB-CD1 4.47Å; P100-L140 HydrophobicContact CG-CD1 4.35Å; I117-L140 PolarHBondContact O-N 3.18Å; A119-L140 HydrophobicContact CB-CD1 3.75Å; A119-L140 HydrophobicContact CB-CD2 4.11Å; A119-L140 HydrophobicContact CB-CG 3.82Å; I138-L140 PolarHBondContact O-N 3.17Å; I138-L140 VanDerWaalsContact O-N 3.12Å; L140-L246 HydrophobicContact CB-CD2 4.16Å; L140-L246 HydrophobicContact CD1-CD2 4.4Å; L140-S247 WeakPolarHBondContact CA-O 3.46Å; L140-S247 VanDerWaalsContact CD2-O 3.32Å; L140-S247 WeakPolarHBondContact CD2-O 3.48Å; L140-S247 WeakPolarHBondContact O-CA 3.44Å; L140-S247 PolarHBondContact O-N 2.97Å; L140-S247 PolarHBondContact O-OG 3.48Å; L140-I249 HydrophobicContact CD2-CG1 4.2Å; L140-L257 HydrophobicContact CD1-CD2 4.3Å
141W92Very high61.8Low30 Ų3079.8 Ų79.811%0.11439%0.388CS..EExtended strand (participates in β ladder)trans-149.2143.4176.4177.287.2000110.1I114 V115 R116 I117 T139 L143 F242 P244I114-W141 HydrophobicContact CG2-CZ3 4.08Å; V115-W141 VanDerWaalsContact C-CZ3 3.48Å; V115-W141 WeakPolarHBondContact O-CZ3 3.43Å; R116-W141 CarbonylContact C-O 3.51Å; R116-W141 WeakPolarHBondContact CA-O 3.48Å; I117-W141 HydrophobicContact CB-CB 4.45Å; I117-W141 HydrophobicContact CD1-CE3 4.28Å; I117-W141 HydrophobicContact CG1-CE3 4.13Å; I117-W141 PolarHBondContact N-O 3.2Å; I117-W141 PolarHBondContact O-N 3.11Å; I117-W141 VanDerWaalsContact O-N 3.12Å; T139-W141 WeakPolarHBondContact CG2-O 3.46Å; W141-L143 HydrophobicContact CH2-CB 4.02Å; W141-L143 HydrophobicContact CH2-CD1 4.3Å; W141-L143 HydrophobicContact CZ2-CB 4.46Å; W141-L143 HydrophobicContact CZ2-CD1 4.35Å; W141-F242 HydrophobicContact CE3-CZ 4.46Å; W141-F242 HydrophobicContact CH2-CE1 4.41Å; W141-F242 AromaticContact CH2-CZ 3.72Å; W141-F242 HydrophobicContact CH2-CZ 3.72Å; W141-F242 AromaticContact CZ2-CZ 3.82Å; W141-F242 HydrophobicContact CZ2-CZ 3.82Å; W141-F242 HydrophobicContact CZ3-CE1 4.31Å; W141-F242 HydrophobicContact CZ3-CZ 4.05Å; W141-P244 HydrophobicContact CB-CB 4.38Å; W141-P244 HydrophobicContact CD2-CB 3.91Å; W141-P244 HydrophobicContact CG-CB 3.72Å; W141-P244 HydrophobicContact CG-CG 4.48Å
142K86.9Confident61.6Low58 Ų5876.4 Ų76.425%0.25237%0.368SS..EExtended strand (participates in β ladder)trans-143.9155.5165.159.6177.6168.1-168.90111.9D80 D82 V115 R116 T139D80-K142 IonicContact OD1-NZ 2.69Å; D80-K142 PolarHBondContact OD1-NZ 3.05Å; D80-K142 IonicContact OD2-NZ 2.8Å; D80-K142 PolarHBondContact OD2-NZ 3.09Å; D82-K142 IonicContact OD1-NZ 2.7Å; D82-K142 PolarHBondContact OD1-NZ 3.37Å; D82-K142 IonicContact OD2-NZ 2.88Å; D82-K142 PolarHBondContact OD2-NZ 2.69Å; V115-K142 CarbonylContact O-C 3.31Å; V115-K142 VanDerWaalsContact O-CA 3.29Å; V115-K142 WeakPolarHBondContact O-CA 3.36Å; R116-K142 HydrophobicContact CB-CB 4.35Å; R116-K142 HydrophobicContact CG-CB 4.17Å; T139-K142 HydrophobicContact CG2-CB 3.94Å; T139-K142 HydrophobicContact CG2-CD 4.15Å; T139-K142 HydrophobicContact CG2-CG 4.02Å
143L80.4Confident61.3Low16 Ų1673.1 Ų73.18%0.08435%0.351CS..  trans-68.7131175.8-171.665.3000110.3V115 W141 Y145V115-L143 HydrophobicContact CB-CB 4.49Å; V115-L143 HydrophobicContact CG1-CD2 4.01Å; V115-L143 PolarHBondContact O-N 2.85Å; W141-L143 HydrophobicContact CH2-CB 4.02Å; W141-L143 HydrophobicContact CH2-CD1 4.3Å; W141-L143 HydrophobicContact CZ2-CB 4.46Å; W141-L143 HydrophobicContact CZ2-CD1 4.35Å; L143-Y145 WeakPolarHBondContact O-CD2 3.49Å; L143-Y145 PolarHBondContact O-N 2.89Å
144N70.8Confident60.8Low137 Ų13771 Ų7173%0.73335%0.353SS*.  trans-82.699.1178.3-77.2-31.2000110.7S146N144-S146 PolarHBondContact O-N 2.73Å
145Y59Low59.8Low34 Ų3470 Ų7013%0.13335%0.351CS..  trans-60.4126.5169.1-62.6-102.1000110.1Y84 L143 D149 L153Y84-Y145 WeakPolarHBondContact CD2-OH 3.44Å; Y84-Y145 AromaticContact CG-CZ 3.9Å; L143-Y145 WeakPolarHBondContact O-CD2 3.49Å; L143-Y145 PolarHBondContact O-N 2.89Å; Y145-D149 HydrophobicContact CD1-CB 4.29Å; Y145-L153 HydrophobicContact CD1-CD1 3.83Å; Y145-L153 HydrophobicContact CE1-CD1 3.89Å
146S55.3Low58.5Low55 Ų5573.3 Ų73.339%0.38537%0.368SS..  trans-67.3162.4170.680.90000109.8N144 H148 D149 K150N144-S146 PolarHBondContact O-N 2.73Å; S146-H148 PolarHBondContact O-N 2.88Å; S146-H148 PolarHBondContact OG-N 3.12Å; S146-D149 WeakPolarHBondContact CA-OD2 3.37Å; S146-D149 VanDerWaalsContact CB-OD2 3.22Å; S146-D149 WeakPolarHBondContact CB-OD2 3.46Å; S146-D149 PolarHBondContact N-OD2 2.65Å; S146-D149 PolarHBondContact O-N 3.34Å; S146-D149 PolarHBondContact OG-N 2.89Å; S146-D149 PolarHBondContact OG-OD2 3.19Å; S146-K150 PolarHBondContact O-N 3.2Å
147N40.8Very low56.9Low123 Ų12378.1 Ų78.166%0.65839%0.391SS*.Hα-helixtrans-69.8-13.1175.5-74.8-12.2000113K150N147-K150 PolarHBondContact OD1-NZ 3.44Å; N147-K150 VanDerWaalsContact OD1-NZ 3.08Å
148H45.2Very low54.7Low152 Ų15283.4 Ų83.470%0.70442%0.418SS*.Hα-helixtrans-72.5-43.8169.8-106.7-88000111.6S146 K150S146-H148 PolarHBondContact O-N 2.88Å; S146-H148 PolarHBondContact OG-N 3.12Å; H148-K150 VanDerWaalsContact C-N 3.31Å; H148-K150 PolarHBondContact O-N 2.73Å
149D46.5Very low52.2Low44 Ų4488 Ų8824%0.23545%0.447CS..Hα-helixtrans-60.8-39.9-179.3-57.5-70.6000112.2Y145 S146 N151 Q152 L153Y145-D149 HydrophobicContact CD1-CB 4.29Å; S146-D149 WeakPolarHBondContact CA-OD2 3.37Å; S146-D149 VanDerWaalsContact CB-OD2 3.22Å; S146-D149 WeakPolarHBondContact CB-OD2 3.46Å; S146-D149 PolarHBondContact N-OD2 2.65Å; S146-D149 PolarHBondContact O-N 3.34Å; S146-D149 PolarHBondContact OG-N 2.89Å; S146-D149 PolarHBondContact OG-OD2 3.19Å; D149-N151 VanDerWaalsContact C-N 3.35Å; D149-N151 PolarHBondContact O-N 3.37Å; D149-Q152 PolarHBondContact O-N 3.17Å; D149-L153 WeakPolarHBondContact O-CG 3.49Å; D149-L153 PolarHBondContact O-N 3.05Å; D149-L153 VanDerWaalsContact O-N 3.12Å
150K41.3Very low49.6Very low107 Ų10794.3 Ų94.347%0.46548%0.48SS..Hα-helixtrans-63.1-34.3-172.1-70.4176.5-172165.40114.2S146 N147 H148S146-K150 PolarHBondContact O-N 3.2Å; N147-K150 PolarHBondContact OD1-NZ 3.44Å; N147-K150 VanDerWaalsContact OD1-NZ 3.08Å; H148-K150 VanDerWaalsContact C-N 3.31Å; H148-K150 PolarHBondContact O-N 2.73Å
151N35.2Very low46.7Very low119 Ų119101.5 Ų101.564%0.63652%0.518SS*.Hα-helixtrans-78.6-35.9-178.5-73.6-8.9000111.9D149 V154D149-N151 VanDerWaalsContact C-N 3.35Å; D149-N151 PolarHBondContact O-N 3.37Å; N151-V154 PolarHBondContact O-N 3.42Å
152Q35.2Very low44.1Very low61 Ų61107.7 Ų107.729%0.28555%0.554SS.*Hα-helixtrans-80-28.6-178.1-66.7-173.1-0.600113.3D149 V154 Q155 L156D149-Q152 PolarHBondContact O-N 3.17Å; Q152-V154 PolarHBondContact O-N 3.48Å; Q152-Q155 PolarHBondContact O-N 3.38Å; Q152-L156 WeakPolarHBondContact O-CG 3.36Å; Q152-L156 PolarHBondContact O-N 2.91Å
153L35.2Very low41.6Very low95 Ų95111.7 Ų111.750%0.49758%0.578SS.*Hα-helixtrans-56.9-18.6169.5-80.4166.1000113.6Y145 D149Y145-L153 HydrophobicContact CD1-CD1 3.83Å; Y145-L153 HydrophobicContact CE1-CD1 3.89Å; D149-L153 WeakPolarHBondContact O-CG 3.49Å; D149-L153 PolarHBondContact O-N 3.05Å; D149-L153 VanDerWaalsContact O-N 3.12Å
154V35.1Very low39.7Very low92 Ų92118.7 Ų118.756%0.55862%0.616SS**Hα-helixtrans-93.2-22.9175.5-178.70000112.5N151 Q152N151-V154 PolarHBondContact O-N 3.42Å; Q152-V154 PolarHBondContact O-N 3.48Å
155Q31.3Very low38.4Very low135 Ų135118.5 Ų118.563%0.63161%0.614SS**Hα-helixtrans-89-26.8-177.1-68-178.3-5500113.3Q152 Q157 H158Q152-Q155 PolarHBondContact O-N 3.38Å; Q155-Q157 PolarHBondContact O-N 2.84Å; Q155-H158 PolarHBondContact O-N 3.24Å
156L32.1Very low37.9Very low120 Ų120123.3 Ų123.363%0.62864%0.643SS**THydrogen-bonded Turntrans-71.324.4-179.1-68.9166.8000115Q152Q152-L156 WeakPolarHBondContact O-CG 3.36Å; Q152-L156 PolarHBondContact O-N 2.91Å
157Q32.7Very low37.6Very low160 Ų160123.6 Ų123.675%0.74864%0.64SS**THydrogen-bonded Turntrans-104-10.1168.2-69.1-170.2-1800113.3Q155Q155-Q157 PolarHBondContact O-N 2.84Å
158H31.8Very low38Very low175 Ų175122.7 Ų122.781%0.8163%0.631SS**SBendtrans-145.863.5-175.8-72.2-52.7000113.7Q155Q155-H158 PolarHBondContact O-N 3.24Å
159T31.4Very low38.2Very low118 Ų118120 Ų12072%0.72462%0.619SS**  trans-150.3130.5157.929.30000108.9
160D31.5Very low38.3Very low150 Ų150123.9 Ų123.980%0.80263%0.631SS**  trans-88.8156179-53-67.1000111.7
161D30.8Very low38.7Very low150 Ų150122.6 Ų122.680%0.80262%0.623SS**  trans29.689.6151.8-55.2-16.1000118.8
162N37.7Very low39.4Very low160 Ų160117.8 Ų117.886%0.85660%0.597SS**  trans-163.6112.4145-87.6-63.7000108.7
163D35Very low40.2Very low143 Ų143123 Ų12377%0.76561%0.614SS**  trans-97.785.4177.1-76.7-50.5000110.4K62K62-D163 IonicContact NZ-OD1 2.76Å
164D39.8Very low41Very low163 Ų163122.5 Ų122.587%0.87261%0.609SS**  trans-154.220.5174.7-113.8-23.7000114.5D166D164-D166 PolarHBondContact O-N 3.18Å
165D44.6Very low41.8Very low132 Ų132119.1 Ų119.171%0.70659%0.588SS**  trans-88.9101-169.6-120.6-18.4000114D167 H168D165-D167 PolarHBondContact O-N 3.46Å; D165-D167 VanDerWaalsContact O-N 3.09Å; D165-H168 PolarHBondContact O-N 3.07Å
166D47.1Very low42.9Very low136 Ų136115.6 Ų115.673%0.72757%0.569SS**THydrogen-bonded Turntrans-51.4-31.1178.2-138-16.8000113.6D164 H168 H169 Y170D164-D166 PolarHBondContact O-N 3.18Å; D166-H168 PolarHBondContact O-N 2.86Å; D166-H169 PolarHBondContact O-N 3.27Å; D166-H169 VanDerWaalsContact O-N 3.11Å; D166-Y170 PolarHBondContact O-N 3.49Å
167D50Low43.8Very low61 Ų61116 Ų11633%0.32657%0.568SS.*Hα-helixtrans-64.5-21.9-179.7-170.247.9000113D165 Y170 R171D165-D167 PolarHBondContact O-N 3.46Å; D165-D167 VanDerWaalsContact O-N 3.09Å; D167-Y170 PolarHBondContact O-N 3.09Å; D167-R171 WeakPolarHBondContact O-CG 3.45Å; D167-R171 PolarHBondContact O-N 3.39Å; D167-R171 IonicContact OD2-CZ 3.9Å; D167-R171 IonicContact OD2-NE 2.72Å; D167-R171 PolarHBondContact OD2-NE 3.33Å; D167-R171 IonicContact OD2-NH2 2.93Å; D167-R171 PolarHBondContact OD2-NH2 3.11Å
168H48.3Very low44.8Very low103 Ų103112.9 Ų112.948%0.47755%0.553SS.*Hα-helixtrans-65.5-41.4173.1-168.86.1000111.7D165 D166 Y170 R171 I172D165-H168 PolarHBondContact O-N 3.07Å; D166-H168 PolarHBondContact O-N 2.86Å; H168-Y170 VanDerWaalsContact C-N 3.34Å; H168-R171 PolarHBondContact O-N 3.24Å; H168-I172 WeakPolarHBondContact O-CG1 3.35Å; H168-I172 PolarHBondContact O-N 3.34Å; H168-I172 VanDerWaalsContact O-N 3.17Å
169H50.2Low45.8Very low97 Ų97104.7 Ų104.745%0.44952%0.515SS..Hα-helixtrans-67.1-35.8174.4-97.653000111.6D166 I172 R173 K267D166-H169 PolarHBondContact O-N 3.27Å; D166-H169 VanDerWaalsContact O-N 3.11Å; H169-I172 PolarHBondContact O-N 3.18Å; H169-R173 WeakPolarHBondContact O-CB 3.16Å; H169-R173 WeakPolarHBondContact O-CG 3.37Å; H169-R173 PolarHBondContact O-N 2.96Å; H169-K267 PolarHBondContact NE2-NZ 3.19Å
170Y47.9Very low46.7Very low125 Ų125102.6 Ų102.649%0.4949%0.494SS..Hα-helixtrans-62.5-44.2176.1-173.9-110000112.4D166 D167 H168 R173 Q174D166-Y170 PolarHBondContact O-N 3.49Å; D167-Y170 PolarHBondContact O-N 3.09Å; H168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-R173 WeakPolarHBondContact O-CB 3.46Å; Y170-R173 PolarHBondContact O-N 2.86Å; Y170-Q174 HydrophobicContact CE1-CG 4.33Å; Y170-Q174 VanDerWaalsContact CZ-NE2 3.33Å; Y170-Q174 PolarHBondContact O-N 3.24Å; Y170-Q174 PolarHBondContact OH-NE2 2.92Å
171R49.8Very low47.6Very low80 Ų80102.2 Ų102.230%0.30249%0.487SS..Hα-helixtrans-62.9-43.3175.3-66.3177.2-138.5-175.49.2112.4D167 H168 R173 Q174 Q175D167-R171 WeakPolarHBondContact O-CG 3.45Å; D167-R171 PolarHBondContact O-N 3.39Å; D167-R171 IonicContact OD2-CZ 3.9Å; D167-R171 IonicContact OD2-NE 2.72Å; D167-R171 PolarHBondContact OD2-NE 3.33Å; D167-R171 IonicContact OD2-NH2 2.93Å; D167-R171 PolarHBondContact OD2-NH2 3.11Å; H168-R171 PolarHBondContact O-N 3.24Å; R171-R173 VanDerWaalsContact C-N 3.33Å; R171-R173 PolarHBondContact O-N 3.01Å; R171-Q174 PolarHBondContact O-N 2.86Å; R171-Q175 PolarHBondContact O-N 3Å
172I50Low48.5Very low18 Ų1898 Ų989%0.09246%0.464CS..Hα-helixtrans-62.3-40.1175.3-67.5171.9000110.8H168 H169 R176H168-I172 WeakPolarHBondContact O-CG1 3.35Å; H168-I172 PolarHBondContact O-N 3.34Å; H168-I172 VanDerWaalsContact O-N 3.17Å; H169-I172 PolarHBondContact O-N 3.18Å; I172-R176 HydrophobicContact CG2-CG 4.4Å; I172-R176 VanDerWaalsContact O-CB 3.3Å; I172-R176 WeakPolarHBondContact O-CB 3.18Å; I172-R176 VanDerWaalsContact O-CG 3.31Å; I172-R176 WeakPolarHBondContact O-CG 3.46Å; I172-R176 PolarHBondContact O-N 3.03Å
173R51.2Low48.8Very low169 Ų16993.5 Ų93.564%0.63844%0.438SS*.Hα-helixtrans-60.4-50.8174.2-77.6173.7174.31660111.9H169 Y170 R171 R176 Q177H169-R173 WeakPolarHBondContact O-CB 3.16Å; H169-R173 WeakPolarHBondContact O-CG 3.37Å; H169-R173 PolarHBondContact O-N 2.96Å; Y170-R173 WeakPolarHBondContact O-CB 3.46Å; Y170-R173 PolarHBondContact O-N 2.86Å; R171-R173 VanDerWaalsContact C-N 3.33Å; R171-R173 PolarHBondContact O-N 3.01Å; R173-R176 PolarHBondContact O-N 3.5Å; R173-Q177 PolarHBondContact O-N 3.42Å
174Q53.5Low48.7Very low85 Ų8593.9 Ų93.940%0.39744%0.439SS..Hα-helixtrans-62.6-44179.9-76-147.39.600112.9Y170 R171 Q177 Q178Y170-Q174 HydrophobicContact CE1-CG 4.33Å; Y170-Q174 VanDerWaalsContact CZ-NE2 3.33Å; Y170-Q174 PolarHBondContact O-N 3.24Å; Y170-Q174 PolarHBondContact OH-NE2 2.92Å; R171-Q174 PolarHBondContact O-N 2.86Å; Q174-Q177 WeakPolarHBondContact O-CB 3.1Å; Q174-Q177 PolarHBondContact O-N 2.88Å; Q174-Q178 PolarHBondContact O-N 2.84Å
175Q51.3Low48.3Very low21 Ų2190.3 Ų90.310%0.09842%0.424CS..Hα-helixtrans-64.8-41.9177.8-174.3-173.2-27.200111.6G112 R171 Q177 Q178 Q179 R265G112-Q175 PolarHBondContact O-NE2 3.12Å; R171-Q175 PolarHBondContact O-N 3Å; Q175-Q177 VanDerWaalsContact C-N 3.27Å; Q175-Q177 PolarHBondContact O-N 3.37Å; Q175-Q178 PolarHBondContact O-N 3.04Å; Q175-Q179 HydrophobicContact CG-CG 4.46Å; Q175-Q179 PolarHBondContact O-N 2.79Å; Q175-R265 VanDerWaalsContact OE1-CD 3.24Å
176R53.6Low47.5Very low62 Ų6294 Ų9423%0.23443%0.429CS..Hα-helixtrans-61.7-34.9175.4-77.4179.1168.1-171.9-4.8111.5N110 I172 R173 R180N110-R176 PolarHBondContact OD1-NH2 2.74Å; I172-R176 HydrophobicContact CG2-CG 4.4Å; I172-R176 VanDerWaalsContact O-CB 3.3Å; I172-R176 WeakPolarHBondContact O-CB 3.18Å; I172-R176 VanDerWaalsContact O-CG 3.31Å; I172-R176 WeakPolarHBondContact O-CG 3.46Å; I172-R176 PolarHBondContact O-N 3.03Å; R173-R176 PolarHBondContact O-N 3.5Å; R176-R180 WeakPolarHBondContact O-CB 3.32Å; R176-R180 WeakPolarHBondContact O-CG 3.22Å; R176-R180 PolarHBondContact O-N 2.8Å
177Q51.1Low46.6Very low129 Ų12996.2 Ų96.260%0.60344%0.435SS*.Hα-helixtrans-64.3-51170.3-78.4-175.4-21.400112.6R173 Q174 Q175 Q179 R180 Q181R173-Q177 PolarHBondContact O-N 3.42Å; Q174-Q177 WeakPolarHBondContact O-CB 3.1Å; Q174-Q177 PolarHBondContact O-N 2.88Å; Q175-Q177 VanDerWaalsContact C-N 3.27Å; Q175-Q177 PolarHBondContact O-N 3.37Å; Q177-Q179 VanDerWaalsContact C-N 3.31Å; Q177-Q179 PolarHBondContact O-N 2.95Å; Q177-R180 PolarHBondContact O-N 3.28Å; Q177-Q181 WeakPolarHBondContact O-CG 3.39Å; Q177-Q181 PolarHBondContact O-N 3.13Å
178Q55.1Low45.5Very low94 Ų9498 Ų9844%0.43945%0.452SS..Hα-helixtrans-58.8-40.9179.7-70.8-171.415.200112.6Q174 Q175Q174-Q178 PolarHBondContact O-N 2.84Å; Q175-Q178 PolarHBondContact O-N 3.04Å
179Q52.6Low44.4Very low3 Ų3100.1 Ų100.11%0.01447%0.467CS..Hα-helixtrans-76.2-31.9177.3-65.8-178.4-8.300112.9G112 Q175 Q177 Q181 L182 R240G112-Q179 PolarHBondContact O-NE2 2.9Å; G112-Q179 PolarHBondContact O-OE1 2.89Å; Q175-Q179 HydrophobicContact CG-CG 4.46Å; Q175-Q179 PolarHBondContact O-N 2.79Å; Q177-Q179 VanDerWaalsContact C-N 3.31Å; Q177-Q179 PolarHBondContact O-N 2.95Å; Q179-Q181 VanDerWaalsContact C-N 3.32Å; Q179-Q181 PolarHBondContact O-N 2.86Å; Q179-L182 WeakPolarHBondContact O-CB 3.5Å; Q179-L182 PolarHBondContact O-N 3.19Å; Q179-L182 VanDerWaalsContact O-N 3.16Å; Q179-R240 VanDerWaalsContact CB-NH1 3.3Å
180R50.2Low43.1Very low73 Ų73103 Ų10328%0.27549%0.485SS..Hα-helixtrans-66.5-30.3171.8-79.4175.9-179.2-168.9-0.4112.6R176 Q177 L182 Q183 L184 Y235 L236R176-R180 WeakPolarHBondContact O-CB 3.32Å; R176-R180 WeakPolarHBondContact O-CG 3.22Å; R176-R180 PolarHBondContact O-N 2.8Å; Q177-R180 PolarHBondContact O-N 3.28Å; R180-L182 PolarHBondContact O-N 3.05Å; R180-Q183 WeakPolarHBondContact O-CA 3.37Å; R180-Q183 WeakPolarHBondContact O-CB 3.44Å; R180-Q183 PolarHBondContact O-N 2.69Å; R180-L184 PolarHBondContact O-N 3.09Å; R180-Y235 VanDerWaalsContact NH1-CG 3.34Å; R180-L236 PolarHBondContact NH2-O 3.09Å
181Q49.2Very low42.1Very low143 Ų143103.4 Ų103.467%0.66850%0.501SS*.Hα-helixtrans-62-25.1171.9-74178.7-3.400112.9Q177 Q179 Q183Q177-Q181 WeakPolarHBondContact O-CG 3.39Å; Q177-Q181 PolarHBondContact O-N 3.13Å; Q179-Q181 VanDerWaalsContact C-N 3.32Å; Q179-Q181 PolarHBondContact O-N 2.86Å; Q181-Q183 VanDerWaalsContact C-N 3.33Å
182L50.8Low40.9Very low61 Ų61105 Ų10532%0.31952%0.523SS..THydrogen-bonded Turntrans-80.2-14.1172.2-60170.3000113.2Q179 R180 F242Q179-L182 WeakPolarHBondContact O-CB 3.5Å; Q179-L182 PolarHBondContact O-N 3.19Å; Q179-L182 VanDerWaalsContact O-N 3.16Å; R180-L182 PolarHBondContact O-N 3.05Å; L182-F242 HydrophobicContact CD1-CE2 3.82Å
183Q43.5Very low39.7Very low65 Ų65109.5 Ų109.530%0.30455%0.551SS.*THydrogen-bonded Turntrans-93.4-16.6-178.2-167.1175.3-6.800112.7R180 Q181 T185 S239 R240R180-Q183 WeakPolarHBondContact O-CA 3.37Å; R180-Q183 WeakPolarHBondContact O-CB 3.44Å; R180-Q183 PolarHBondContact O-N 2.69Å; Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q183-T185 PolarHBondContact O-N 2.74Å; Q183-S239 PolarHBondContact NE2-O 2.62Å; Q183-R240 HydrophobicContact CG-CG 4.23Å
184L33.7Very low38.4Very low151 Ų151107.4 Ų107.479%0.79156%0.557SS**  trans-84.325.3-175.3-77.3169.8000115R180R180-L184 PolarHBondContact O-N 3.09Å
185T31.5Very low37.2Very low89 Ų89111.6 Ų111.655%0.54658%0.582SS.*SBendtrans-115.1142.9165.758.20000109.2Q183Q183-T185 PolarHBondContact O-N 2.74Å
186Y27.1Very low36.1Very low208 Ų208115.2 Ų115.282%0.81662%0.615SS**SBendtrans75.136.2-174.4-74.4-89.3000118.4
187H27.7Very low34.8Very low184 Ų184118.2 Ų118.285%0.85264%0.644SS**SBendtrans-136.352161.2-96.771.4000113.3
188S26.8Very low33.8Very low99 Ų99117.2 Ų117.269%0.69265%0.649SS**SBendtrans-173.6144.7160.234.50000109.7
189N25.8Very low32.5Very low146 Ų146118.7 Ų118.778%0.78166%0.66SS**  trans60.7116.7173.1-54.6-22.2000114.2
190N24Very low31.4Very low157 Ų157125.1 Ų125.184%0.8469%0.693SS**  cis56118.232.4-126.21.3000112.4
191V25.3Very low30.3Very low135 Ų135126.3 Ų126.382%0.81871%0.708SS**  trans72.2139.8-162.2-1680000110.7
192C25.1Very low29.3Very low113 Ų113126.1 Ų126.176%0.76471%0.712SS**  cis-135.9165.716.1-148.60000114.8
193T24.9Very low28.1Very low112 Ų112127.8 Ų127.869%0.68773%0.727SS**  trans-76.7176.6178.1500000115
194T24.8Very low27.3Very low125 Ų125134.8 Ų134.877%0.76775%0.751SS**  trans68.1117.8150.540.40000120.2
195L27.8Very low26.9Very low174 Ų174132.8 Ų132.891%0.91175%0.745SS**  -159.5143118-105.2164.7000111.4
196A28.8Very low26.7Very low96 Ų96139.4 Ų139.479%0.79376%0.76SS**  trans59.481.4167.700000120.2
197C24.8Very low26.7Very low125 Ų125133.8 Ų133.885%0.84575%0.751SS**  trans-72.4-175.6146.6-101.60000111.1
198P30.7Very low26.7Very low109 Ų109131.2 Ų131.271%0.70875%0.749SS**  cis-122.1-176.83.543.8-29.3000112.6
199D27.6Very low26.8Very low124 Ų124131 Ų13166%0.66375%0.747SS**  cis-151.1-178.910.1-131-7.5000107.9
200I29.2Very low27Very low138 Ų138130.3 Ų130.371%0.70874%0.743SS**  cis-143.7121.710-138.5143.2000106.7
201V27.3Very low27.2Very low98 Ų98129.3 Ų129.359%0.59474%0.735SS**  73.6123.295.6173.90000116.5
202N28.3Very low27.4Very low140 Ų140132.1 Ų132.175%0.74973%0.733SS**  trans75118.9165.7-71.1-24.1000118.3
203C25.9Very low27.6Very low96 Ų96130.7 Ų130.765%0.64972%0.724SS**  85.9139.159.5-75.70000112.6
204R26.2Very low27.8Very low211 Ų211130.4 Ų130.480%0.79672%0.718SS**  cis-168.4139.67.6-119.9167.5-169.4-173.33113.1
205T26.1Very low28Very low109 Ų109134.2 Ų134.267%0.66972%0.718SS**  trans65.1150.9138.758.80000124.4
206R26.8Very low28Very low229 Ų229131 Ų13186%0.86471%0.709SS**  trans83142.6148.1-79.3160.3179.8-163.8-0.3118.3
207S26.4Very low27.9Very low89 Ų89134 Ų13462%0.62271%0.711SS**  cis-174.5178.4-16.443.60000111.3
208T28.7Very low28.2Very low131 Ų131134 Ų13480%0.80471%0.709SS**  trans72.5142.4169.670.40000114.3
209S28.9Very low28.1Very low94 Ų94133 Ų13366%0.65771%0.711SS**  cis166.4156.8-12.554.60000104.2
210N29.4Very low28.1Very low132 Ų132135.1 Ų135.171%0.70672%0.721SS**  cis-166.415230-124.6-9.6000110.1
211M27.6Very low28.2Very low135 Ų135134.5 Ų134.567%0.66573%0.726SS**  trans52.4143.8144.1-57.4169.2131.900120
212Y29.6Very low28.2Very low195 Ų195139.7 Ų139.777%0.76574%0.736SS**  cis-130.8146.113.6-72.3-104.6000108.1
213S29Very low28.2Very low82 Ų82140 Ų14057%0.57374%0.738SS**  cis71.3133.84284.50000113.8
214D30Very low28.5Very low106 Ų106143.3 Ų143.357%0.56775%0.749SS**  cis-168.2149.26.6-134-29.6000113.2
215R28Very low28.6Very low206 Ų206140.9 Ų140.978%0.77775%0.747SS**  trans58.3161.9149.1-82.4167-110.5-161.76.1120.3
216C28.9Very low28.6Very low105 Ų105142.9 Ų142.971%0.70975%0.753SS**  cis-149153.93.9-142.20000113.4
217L26.1Very low28.6Very low160 Ų160136.3 Ų136.384%0.83875%0.748SS**  trans-114.1154156.5-87.4168.1000109.5
218P31.9Very low28.6Very low125 Ų125140.9 Ų140.981%0.81276%0.757SS**  trans-131176136.735.5-22.7000112.1
219A27.7Very low28.4Very low89 Ų89140.9 Ų140.974%0.73676%0.757SS**  trans-147.7-176.7-169.600000113
220L27.5Very low28.3Very low167 Ų167142.9 Ų142.987%0.87477%0.765SS**  trans81.8156.9170.1-50.7175.7000116.5
221P32.8Very low28.1Very low125 Ų125144.2 Ų144.281%0.81277%0.767SS**  cis-130.5-158.4-17.329.9-6.3000113.9
222Y27.1Very low28Very low207 Ų207144.6 Ų144.681%0.81276%0.762SS**  trans-80169.5-172.9-96.5-111.6000117
223D27.9Very low27.8Very low147 Ų147140.8 Ų140.879%0.78676%0.764SS**  trans64111.5154.1-57.1-32.4000120.9
224D31.9Very low28Very low166 Ų166142.8 Ų142.889%0.88876%0.764SS**  -159.1170.5106.8-140.7-31.1000111.3
225E28Very low28.6Very low159 Ų159145.5 Ų145.574%0.74377%0.767SS**  trans-84.1168.1-168.9-61.9-169.515200116.9
226N25.8Very low29.5Very low151 Ų151139.2 Ų139.281%0.80775%0.749SS**  trans75.162.2158.3-60.1-65.6000118.9
227A27.5Very low31.2Very low91 Ų91134.9 Ų134.975%0.75272%0.72SS**  trans-147.7131158.500000114.4
228F26.6Very low33.5Very low185 Ų185133.6 Ų133.681%0.81171%0.709SS**  trans26.9110.7152.1-67.4-93.2000121.2V230F228-V230 PolarHBondContact O-N 2.94Å
229T24Very low36.1Very low132 Ų132128.5 Ų128.581%0.8168%0.677SS**  29.286.7127.6-32.40000118.8
230V27.1Very low38.9Very low135 Ų135124.5 Ų124.582%0.81864%0.643SS**  trans-110.7105.6168.1-178.20000107.9F228F228-V230 PolarHBondContact O-N 2.94Å
231Q25.9Very low42Very low160 Ų160118.8 Ų118.875%0.74861%0.612SS**  72.587.174-68.7-163.2-15.800116.5
232Y23.7Very low44.7Very low144 Ų144113 Ų11357%0.56557%0.574SS**  trans5296.2131.3-79.5-125.8000120.5R917 M921Y232-R917 VanDerWaalsContact CE1-NH1 3.33Å; Y232-M921 PolarHBondContact OH-SD 3.23Å
233S25.8Very low47.8Very low115 Ų115105.6 Ų105.680%0.80455%0.547SS*.  trans-167.669.9150.761.50000116.2
234E33.9Very low50.7Low124 Ų12498.9 Ų98.958%0.57951%0.512SS*.  trans-150.8139.8175.2-71.7-162.2147.800111.3R917E234-R917 PolarHBondContact O-NH2 3.47Å
235Y43.5Very low53.4Low162 Ų16299.5 Ų99.564%0.63551%0.506SS*.  cis-139117.9-23.3-83.3-76.7000108.6R180R180-Y235 VanDerWaalsContact NH1-CG 3.34Å
236L46.9Very low56.4Low75 Ų7593 Ų9339%0.39348%0.476SS..  trans-62.1150.8163.3-98.2172.2000111.1R180 I913R180-L236 PolarHBondContact NH2-O 3.09Å; L236-I913 HydrophobicContact CD1-CD1 3.71Å; L236-I913 HydrophobicContact CD1-CG1 4.47Å; L236-I913 HydrophobicContact CD2-CD1 3.64Å; L236-I913 HydrophobicContact CD2-CG1 3.52Å; L236-I913 HydrophobicContact CG-CD1 3.66Å; L236-I913 HydrophobicContact CG-CG1 3.88Å
237P63.9Low59.4Low14 Ų1488.4 Ų88.49%0.09146%0.456CS..  trans-62.6145.1150.930.5-34.7000110Y48Y48-P237 HydrophobicContact CE1-CB 4.33Å; Y48-P237 HydrophobicContact CE1-CG 3.92Å; Y48-P237 HydrophobicContact CE2-CB 4.03Å; Y48-P237 HydrophobicContact CE2-CG 4.48Å; Y48-P237 WeakPolarHBondContact OH-CB 3.49Å; Y48-P237 VanDerWaalsContact OH-CG 3.31Å; Y48-P237 WeakPolarHBondContact OH-CG 3.44Å
238Q75Confident62.1Low132 Ų13289 Ų8962%0.61745%0.447SS*.  trans-138.9161.6-177.6-71.5-179.8-24.900109P111P111-Q238 WeakPolarHBondContact CG-O 3.48Å
239S85.7Confident64.9Low18 Ų1883.3 Ų83.313%0.12642%0.424CS..  trans-63.6150.3175.862.50000110.7P46 Y48 E107 Q183P46-S239 WeakPolarHBondContact O-CB 3.3Å; P46-S239 PolarHBondContact O-OG 3.25Å; Y48-S239 VanDerWaalsContact CD2-N 3.34Å; E107-S239 WeakPolarHBondContact O-CA 3.5Å; Q183-S239 PolarHBondContact NE2-O 2.62Å
240R86.5Confident67.6Low6 Ų682.4 Ų82.42%0.02341%0.406CS..EExtended strand (participates in β ladder)trans-141.5135.3-168.3177.7165.684-179.65.6112.1E107 P111 Q179 Q183 F242E107-R240 HydrophobicContact CB-CB 4.45Å; E107-R240 VanDerWaalsContact CD-NH2 3.28Å; E107-R240 PolarHBondContact N-O 3.01Å; E107-R240 PolarHBondContact O-N 3.33Å; E107-R240 IonicContact OE1-CZ 3.87Å; E107-R240 IonicContact OE1-NH2 2.98Å; E107-R240 PolarHBondContact OE1-NH2 2.7Å; E107-R240 IonicContact OE2-CZ 3.13Å; E107-R240 IonicContact OE2-NE 2.72Å; E107-R240 PolarHBondContact OE2-NE 2.69Å; E107-R240 IonicContact OE2-NH2 2.75Å; E107-R240 PolarHBondContact OE2-NH2 3.19Å; P111-R240 HydrophobicContact CB-CB 4Å; P111-R240 HydrophobicContact CG-CB 4.21Å; Q179-R240 VanDerWaalsContact CB-NH1 3.3Å; Q183-R240 HydrophobicContact CG-CG 4.23Å; R240-F242 HydrophobicContact CG-CB 4.47Å
241I91.7Very high70.1Confident46 Ų4680.6 Ų80.624%0.23640%0.397CS..EExtended strand (participates in β ladder)trans-92.5109.2156.9-50-179.6000106.9Y45 Q104 I105 Y106Y45-I241 HydrophobicContact CE1-CD1 3.92Å; Y45-I241 HydrophobicContact CE1-CG1 3.97Å; Y45-I241 HydrophobicContact CE2-CG1 4.03Å; Q104-I241 HydrophobicContact CB-CG2 3.87Å; Q104-I241 HydrophobicContact CG-CG2 4.41Å; I105-I241 CarbonylContact O-C 3.38Å; I105-I241 WeakPolarHBondContact O-CA 3.49Å; Y106-I241 HydrophobicContact CD1-CD1 4.17Å; Y106-I241 HydrophobicContact CD1-CG1 3.79Å; Y106-I241 HydrophobicContact CE1-CD1 3.62Å; Y106-I241 HydrophobicContact CE1-CG1 3.76Å; Y106-I241 HydrophobicContact CE1-CG2 4.35Å
242F91.2Very high72.7Confident3 Ų378.4 Ų78.41%0.01338%0.383CS..EExtended strand (participates in β ladder)trans-87.7116172.7178.8-117.7000109.2I105 E107 I114 I117 W141 L182 R240 P244I105-F242 HydrophobicContact CB-CB 4.43Å; I105-F242 HydrophobicContact CD1-CD1 4.09Å; I105-F242 PolarHBondContact N-O 3.45Å; I105-F242 PolarHBondContact O-N 3.26Å; E107-F242 WeakPolarHBondContact OE2-CB 3.49Å; I114-F242 HydrophobicContact CB-CD1 4.43Å; I114-F242 HydrophobicContact CB-CE1 4.12Å; I114-F242 HydrophobicContact CD1-CD1 3.69Å; I114-F242 HydrophobicContact CD1-CE1 4.23Å; I114-F242 HydrophobicContact CD1-CG 4.43Å; I114-F242 HydrophobicContact CG2-CD1 4.33Å; I114-F242 HydrophobicContact CG2-CE1 3.77Å; I117-F242 HydrophobicContact CD1-CE1 4.28Å; W141-F242 HydrophobicContact CE3-CZ 4.46Å; W141-F242 HydrophobicContact CH2-CE1 4.41Å; W141-F242 AromaticContact CH2-CZ 3.72Å; W141-F242 HydrophobicContact CH2-CZ 3.72Å; W141-F242 AromaticContact CZ2-CZ 3.82Å; W141-F242 HydrophobicContact CZ2-CZ 3.82Å; W141-F242 HydrophobicContact CZ3-CE1 4.31Å; W141-F242 HydrophobicContact CZ3-CZ 4.05Å; L182-F242 HydrophobicContact CD1-CE2 3.82Å; R240-F242 HydrophobicContact CG-CB 4.47Å; F242-P244 HydrophobicContact CD1-CG 4.19Å; F242-P244 HydrophobicContact CE1-CB 4.03Å; F242-P244 HydrophobicContact CE1-CG 3.68Å; F242-P244 HydrophobicContact CE2-CB 4.42Å; F242-P244 HydrophobicContact CZ-CB 3.8Å; F242-P244 HydrophobicContact CZ-CG 4Å
243Q91.9Very high75.6Confident53 Ų5374 Ų7425%0.24837%0.372CS..  trans-126.675.7-174.8-168-179.1-90.300110.6C102 Q104C102-Q243 VanDerWaalsContact SG-CD 3.56Å; Q104-Q243 HydrophobicContact CG-CG 4.28Å
244P89.1Confident78.5Confident6 Ų668.7 Ų68.74%0.03933%0.334CS..  trans-68.9146-176.626.9-32.7000112.2I117 W141 F242 L246I117-P244 HydrophobicContact CD1-CG 3.78Å; W141-P244 HydrophobicContact CB-CB 4.38Å; W141-P244 HydrophobicContact CD2-CB 3.91Å; W141-P244 HydrophobicContact CG-CB 3.72Å; W141-P244 HydrophobicContact CG-CG 4.48Å; F242-P244 HydrophobicContact CD1-CG 4.19Å; F242-P244 HydrophobicContact CE1-CB 4.03Å; F242-P244 HydrophobicContact CE1-CG 3.68Å; F242-P244 HydrophobicContact CE2-CB 4.42Å; F242-P244 HydrophobicContact CZ-CB 3.8Å; F242-P244 HydrophobicContact CZ-CG 4Å; P244-L246 PolarHBondContact O-N 2.85Å; P244-L246 VanDerWaalsContact O-N 3.1Å
245K88.5Confident81.1Confident178 Ų17863.3 Ų63.377%0.77431%0.31SS*.  trans-70.7105.7171.4-173.9178.1-178.5178.60109.7
246L90.4Very high83.2Confident22 Ų2255.7 Ų55.712%0.11528%0.28CS..  trans-66.1147.3177.1-56179.8000111.6P100 L103 L140 P244 I249P100-L246 HydrophobicContact CB-CD1 3.92Å; L103-L246 HydrophobicContact CB-CD1 4.27Å; L103-L246 HydrophobicContact CB-CD2 4.37Å; L140-L246 HydrophobicContact CB-CD2 4.16Å; L140-L246 HydrophobicContact CD1-CD2 4.4Å; P244-L246 PolarHBondContact O-N 2.85Å; P244-L246 VanDerWaalsContact O-N 3.1Å; L246-I249 HydrophobicContact CB-CD1 3.97Å; L246-I249 HydrophobicContact CB-CG1 4.37Å
247S88.2Confident85.4Confident55 Ų5552.3 Ų52.339%0.38526%0.262SS..  trans-139.1176.2179.370.90000109.9L140 I249L140-S247 WeakPolarHBondContact CA-O 3.46Å; L140-S247 VanDerWaalsContact CD2-O 3.32Å; L140-S247 WeakPolarHBondContact CD2-O 3.48Å; L140-S247 WeakPolarHBondContact O-CA 3.44Å; L140-S247 PolarHBondContact O-N 2.97Å; L140-S247 PolarHBondContact O-OG 3.48Å; S247-I249 PolarHBondContact O-N 3Å
248N84.4Confident86.8Confident105 Ų10552.4 Ų52.456%0.56126%0.261SS*.SBendtrans55.213176.6-57.7-30.8000116.8I138 T139 R250I138-N248 HydrophobicContact CG2-CB 3.88Å; T139-N248 PolarHBondContact O-ND2 2.94Å; N248-R250 PolarHBondContact O-N 3.32Å
249I85.3Confident87.6Confident65 Ų6546.1 Ų46.133%0.33323%0.232SC..  trans-56.4122.5-179.8-61.9153.3000109.6I99 P100 L140 L246 S247I99-I249 HydrophobicContact CG2-CG2 3.7Å; P100-I249 WeakPolarHBondContact O-CD1 3.27Å; L140-I249 HydrophobicContact CD2-CG1 4.2Å; L246-I249 HydrophobicContact CB-CD1 3.97Å; L246-I249 HydrophobicContact CB-CG1 4.37Å; S247-I249 PolarHBondContact O-N 3Å
250R82Confident87.8Confident112 Ų11245.8 Ų45.842%0.42323%0.228SC..  trans-79.7153.2173.8-63.1-61.1-157-178.61.5111.1Y121 I138 N248 Y252Y121-R250 HydrophobicContact CD1-CB 4.23Å; Y121-R250 HydrophobicContact CD2-CG 4.03Å; Y121-R250 HydrophobicContact CE1-CB 3.8Å; Y121-R250 HydrophobicContact CE1-CG 4.31Å; Y121-R250 HydrophobicContact CE2-CB 4.11Å; Y121-R250 HydrophobicContact CE2-CG 3.72Å; Y121-R250 HydrophobicContact CG-CG 4.42Å; Y121-R250 PolarHBondContact OH-N 3.15Å; I138-R250 HydrophobicContact CD1-CG 3.62Å; N248-R250 PolarHBondContact O-N 3.32Å; R250-Y252 HydrophobicContact CB-CD2 3.94Å; R250-Y252 PolarHBondContact O-N 2.75Å
251P78.2Confident87.8Confident97 Ų9745.6 Ų45.663%0.6323%0.227SC*.SBendtrans-76.737.5174.236.1-38.6000112.5
252Y81Confident87.2Confident115 Ų11544.2 Ų44.245%0.45122%0.22SC..SBendtrans-134.1138.8-178.8-54.4-54.9000108.2Y121 R250Y121-Y252 VanDerWaalsContact CE1-O 3.29Å; Y121-Y252 WeakPolarHBondContact CE1-O 3.27Å; R250-Y252 HydrophobicContact CB-CD2 3.94Å; R250-Y252 PolarHBondContact O-N 2.75Å
253P84.4Confident86.4Confident52 Ų5244.3 Ų44.334%0.33822%0.221SC..  trans-61.2147.1174.4-25.135.5000113W8 P97 V98 I99W8-P253 HydrophobicContact CH2-CG 4.34Å; W8-P253 HydrophobicContact CZ3-CG 4.41Å; P97-P253 HydrophobicContact CB-CB 3.62Å; V98-P253 WeakPolarHBondContact O-CA 3.16Å; I99-P253 HydrophobicContact CG1-CG 4.36Å
254T86.9Confident85.3Confident2 Ų244 Ų441%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-129.1148.1169.3-178.30000109.7P97 V98 P100 A119 C120 Y121 L256 L257P97-T254 WeakPolarHBondContact CA-O 3.33Å; V98-T254 PolarHBondContact N-O 3.2Å; V98-T254 PolarHBondContact O-N 2.67Å; P100-T254 HydrophobicContact CG-CG2 3.56Å; A119-T254 HydrophobicContact CB-CG2 4.08Å; C120-T254 WeakPolarHBondContact O-CB 3.33Å; C120-T254 PolarHBondContact O-OG1 3.34Å; Y121-T254 HydrophobicContact CE1-CG2 4.14Å; T254-L256 PolarHBondContact OG1-N 3.07Å; T254-L256 PolarHBondContact OG1-O 3.29Å; T254-L257 HydrophobicContact CG2-CD2 4.34Å
255D87.7Confident84.3Confident11 Ų1145.7 Ų45.76%0.05923%0.229CC..EExtended strand (participates in β ladder)trans-125.55.5-179.460.5-1.9000112Y93 F94 P97 R122Y93-D255 CarbonylContact C-O 3.58Å; Y93-D255 WeakPolarHBondContact CA-O 3.35Å; Y93-D255 HydrophobicContact CD2-CB 4.25Å; Y93-D255 WeakPolarHBondContact CD2-O 3.3Å; Y93-D255 HydrophobicContact CE2-CB 3.88Å; F94-D255 PolarHBondContact N-O 2.86Å; P97-D255 HydrophobicContact CB-CB 4.18Å; P97-D255 HydrophobicContact CG-CB 4.06Å; R122-D255 IonicContact CZ-OD1 2.74Å; R122-D255 IonicContact CZ-OD2 2.67Å; R122-D255 IonicContact NE-OD1 3.61Å; R122-D255 PolarHBondContact NE-OD1 2.76Å; R122-D255 IonicContact NE-OD2 3.47Å; R122-D255 IonicContact NH1-OD1 3.73Å; R122-D255 IonicContact NH1-OD2 3.94Å; R122-D255 PolarHBondContact NH1-OD2 3.08Å; R122-D255 IonicContact NH2-OD1 2.76Å; R122-D255 PolarHBondContact NH2-OD1 3.45Å; R122-D255 IonicContact NH2-OD2 3.34Å; R122-D255 PolarHBondContact NH2-OD2 3.06Å
256L89Confident83.3Confident3 Ų337.6 Ų37.62%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-141.8115.7-172.9179.664.7000110.7V19 D91 L92 C120 W137 T254 L330V19-L256 HydrophobicContact CB-CD1 4.46Å; V19-L256 HydrophobicContact CG2-CD1 3.95Å; D91-L256 HydrophobicContact CB-CD1 4.27Å; L92-L256 WeakPolarHBondContact O-CA 3.36Å; C120-L256 HydrophobicContact CB-CB 4.04Å; C120-L256 HydrophobicContact CB-CD2 3.8Å; C120-L256 HydrophobicContact CB-CG 4.02Å; C120-L256 PolarHBondContact N-O 3.2Å; W137-L256 HydrophobicContact CH2-CD2 4.02Å; W137-L256 HydrophobicContact CH2-CG 3.89Å; W137-L256 HydrophobicContact CZ2-CD2 4.19Å; T254-L256 PolarHBondContact OG1-N 3.07Å; T254-L256 PolarHBondContact OG1-O 3.29Å; L256-L330 HydrophobicContact CD2-CD1 3.82Å
257L92.8Very high82.2Confident3 Ų341 Ų412%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-115.7145.8176.2-58.5-176.6000110.8D91 L92 F94 L103 S118 A119 L140 T254 L277D91-L257 CarbonylContact C-O 3.59Å; D91-L257 WeakPolarHBondContact CA-O 3.33Å; L92-L257 PolarHBondContact N-O 3.49Å; L92-L257 PolarHBondContact O-N 3.18Å; F94-L257 HydrophobicContact CD2-CG 4.45Å; F94-L257 HydrophobicContact CE2-CB 4.21Å; F94-L257 HydrophobicContact CE2-CD1 3.83Å; F94-L257 HydrophobicContact CE2-CG 3.93Å; F94-L257 HydrophobicContact CZ-CD1 4.35Å; L103-L257 HydrophobicContact CD1-CD1 3.8Å; L103-L257 HydrophobicContact CD2-CD1 4.1Å; S118-L257 CarbonylContact O-C 3.48Å; S118-L257 WeakPolarHBondContact O-CA 3.32Å; A119-L257 HydrophobicContact CB-CD2 3.63Å; L140-L257 HydrophobicContact CD1-CD2 4.3Å; T254-L257 HydrophobicContact CG2-CD2 4.34Å; L257-L277 HydrophobicContact CD1-CD1 4.2Å; L257-L277 HydrophobicContact CD1-CD2 4.15Å
258R92.3Very high81.5Confident16 Ų1642.4 Ų42.46%0.0621%0.205CC..EExtended strand (participates in β ladder)trans-108.2135.4166.9-179.2168.7-69.5-132.4-7.8109.3Y89 V90 D91 I117 S118 W137 E260Y89-R258 HydrophobicContact CD2-CG 4.26Å; Y89-R258 VanDerWaalsContact CG-NH1 3.35Å; V90-R258 WeakPolarHBondContact O-CA 3.46Å; D91-R258 VanDerWaalsContact OD1-CB 3.22Å; D91-R258 WeakPolarHBondContact OD1-CB 3.3Å; D91-R258 WeakPolarHBondContact OD1-CG 3.29Å; D91-R258 IonicContact OD1-CZ 3.37Å; D91-R258 VanDerWaalsContact OD1-CZ 3.22Å; D91-R258 IonicContact OD1-NE 3.6Å; D91-R258 PolarHBondContact OD1-NE 3.46Å; D91-R258 IonicContact OD1-NH2 3.63Å; D91-R258 PolarHBondContact OD1-NH2 3.48Å; D91-R258 VanDerWaalsContact OD1-NH2 3.09Å; D91-R258 IonicContact OD2-CZ 3.6Å; D91-R258 IonicContact OD2-NE 2.73Å; D91-R258 IonicContact OD2-NH2 3.83Å; D91-R258 PolarHBondContact OD2-NH2 3.25Å; I117-R258 WeakPolarHBondContact CA-O 3.31Å; S118-R258 PolarHBondContact N-O 3.39Å; S118-R258 PolarHBondContact O-N 3.13Å; W137-R258 HydrophobicContact CE3-CB 4.25Å; W137-R258 HydrophobicContact CH2-CB 3.82Å; W137-R258 HydrophobicContact CZ3-CB 3.55Å; R258-E260 HydrophobicContact CG-CG 4.15Å
259I92.9Very high81.2Confident1 Ų137.7 Ų37.71%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-112131.1166.1-55175.1000107.3Y89 V90 L92 I105 I114 I117 F261 V275Y89-I259 CarbonylContact C-O 3.53Å; Y89-I259 WeakPolarHBondContact CA-O 3.48Å; Y89-I259 WeakPolarHBondContact CB-O 3.26Å; V90-I259 HydrophobicContact CG1-CB 4.1Å; V90-I259 PolarHBondContact N-O 2.7Å; V90-I259 PolarHBondContact O-N 3.28Å; L92-I259 HydrophobicContact CD1-CD1 3.61Å; L92-I259 HydrophobicContact CD1-CG1 4.22Å; I105-I259 HydrophobicContact CD1-CD1 3.69Å; I105-I259 HydrophobicContact CD1-CG1 4.43Å; I105-I259 HydrophobicContact CG1-CD1 4.04Å; I114-I259 HydrophobicContact CG1-CG2 4.12Å; I114-I259 HydrophobicContact CG2-CG2 3.81Å; I117-I259 HydrophobicContact CG1-CG2 4.48Å; I259-F261 HydrophobicContact CB-CE2 4.46Å; I259-F261 HydrophobicContact CB-CZ 4.15Å; I259-F261 HydrophobicContact CG2-CD1 4.48Å; I259-F261 HydrophobicContact CG2-CE1 3.78Å; I259-F261 HydrophobicContact CG2-CE2 4.21Å; I259-F261 HydrophobicContact CG2-CZ 3.61Å; I259-V275 HydrophobicContact CD1-CG1 4.5Å; I259-V275 HydrophobicContact CD1-CG2 4.03Å
260E89.6Confident81.1Confident10 Ų1035 Ų355%0.04717%0.166CC..EExtended strand (participates in β ladder)trans-113.4141.8179.1-76.3167.6-138.500110.8S86 V115 R116 R258S86-E260 WeakPolarHBondContact OG-CB 3.33Å; V115-E260 HydrophobicContact CG2-CB 4.41Å; V115-E260 WeakPolarHBondContact CG2-O 3.44Å; V115-E260 PolarHBondContact N-O 2.76Å; R116-E260 HydrophobicContact CB-CB 4Å; R116-E260 WeakPolarHBondContact CD-OE2 3.44Å; R116-E260 IonicContact CZ-OE2 3.17Å; R116-E260 IonicContact NE-OE2 2.66Å; R116-E260 IonicContact NH1-OE2 3.59Å; R116-E260 PolarHBondContact NH1-OE2 3.34Å; R116-E260 PolarHBondContact O-N 2.98Å; R258-E260 HydrophobicContact CG-CG 4.15Å
261F86.1Confident81.6Confident3 Ų329.6 Ų29.61%0.01315%0.146CC..EExtended strand (participates in β ladder)trans-123.4145.1-170.5-54.7-79.7000112.4F57 Y84 S86 D88 V90 A113 I114 I259 I272F57-F261 HydrophobicContact CD1-CD2 4.5Å; F57-F261 HydrophobicContact CD1-CE2 4.35Å; F57-F261 HydrophobicContact CD2-CD2 4.27Å; F57-F261 AromaticContact CD2-CE2 3.94Å; F57-F261 HydrophobicContact CD2-CE2 3.94Å; F57-F261 HydrophobicContact CD2-CZ 4.11Å; F57-F261 HydrophobicContact CE1-CE2 4.06Å; F57-F261 HydrophobicContact CE2-CD2 4.4Å; F57-F261 HydrophobicContact CE2-CE1 4.42Å; F57-F261 AromaticContact CE2-CE2 3.63Å; F57-F261 HydrophobicContact CE2-CE2 3.63Å; F57-F261 AromaticContact CE2-CZ 3.64Å; F57-F261 HydrophobicContact CE2-CZ 3.64Å; F57-F261 HydrophobicContact CG-CD2 4.34Å; F57-F261 HydrophobicContact CG-CE2 4.31Å; F57-F261 AromaticContact CZ-CE2 3.7Å; F57-F261 HydrophobicContact CZ-CE2 3.7Å; F57-F261 HydrophobicContact CZ-CZ 4.05Å; Y84-F261 PolarHBondContact OH-O 3.11Å; Y84-F261 VanDerWaalsContact OH-O 3.09Å; S86-F261 PolarHBondContact OG-O 3.28Å; D88-F261 HydrophobicContact CB-CB 3.99Å; D88-F261 HydrophobicContact CB-CD2 4.21Å; D88-F261 PolarHBondContact O-N 3.11Å; V90-F261 HydrophobicContact CB-CE2 4.38Å; V90-F261 HydrophobicContact CG1-CE2 3.86Å; V90-F261 HydrophobicContact CG1-CZ 4.09Å; A113-F261 HydrophobicContact CB-CB 4.37Å; A113-F261 HydrophobicContact CB-CD1 4.25Å; A113-F261 CarbonylContact O-C 3.58Å; A113-F261 WeakPolarHBondContact O-CA 3.45Å; I114-F261 HydrophobicContact CG1-CD1 3.93Å; I114-F261 HydrophobicContact CG1-CE1 3.67Å; I259-F261 HydrophobicContact CB-CE2 4.46Å; I259-F261 HydrophobicContact CB-CZ 4.15Å; I259-F261 HydrophobicContact CG2-CD1 4.48Å; I259-F261 HydrophobicContact CG2-CE1 3.78Å; I259-F261 HydrophobicContact CG2-CE2 4.21Å; I259-F261 HydrophobicContact CG2-CZ 3.61Å; F261-I272 HydrophobicContact CE1-CD1 3.78Å; F261-I272 HydrophobicContact CZ-CD1 3.7Å
262D79.2Confident82.3Confident17 Ų1725 Ų259%0.09112%0.116CC..  trans-128.875.5171.6-174-2.6000108.1Y84 A113 V115 T264 R265Y84-D262 HydrophobicContact CE2-CB 4.18Å; Y84-D262 WeakPolarHBondContact OH-CB 3.41Å; A113-D262 PolarHBondContact O-N 2.69Å; V115-D262 HydrophobicContact CB-CB 4.4Å; V115-D262 HydrophobicContact CG1-CB 3.55Å; V115-D262 HydrophobicContact CG2-CB 3.96Å; D262-T264 PolarHBondContact O-N 3.27Å; D262-T264 VanDerWaalsContact O-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.23Å; D262-R265 HydrophobicContact CB-CG 4.27Å; D262-R265 VanDerWaalsContact O-CB 3.31Å; D262-R265 WeakPolarHBondContact O-CB 3.13Å; D262-R265 WeakPolarHBondContact O-CG 3.19Å; D262-R265 PolarHBondContact O-N 3.14Å; D262-R265 WeakPolarHBondContact OD2-CD 3.27Å; D262-R265 IonicContact OD2-CZ 3.83Å; D262-R265 IonicContact OD2-NE 2.97Å; D262-R265 PolarHBondContact OD2-NE 3.19Å; D262-R265 IonicContact OD2-NH2 2.69Å
263S73.9Confident82.9Confident4 Ų419.6 Ų19.63%0.02810%0.095CC..G310 helixtrans-69.8-4-176.820000113.6T59 R265 C266T59-S263 WeakPolarHBondContact O-CB 3.38Å; T59-S263 PolarHBondContact O-OG 2.74Å; T59-S263 PolarHBondContact OG1-OG 3.22Å; S263-R265 PolarHBondContact O-N 3.09Å; S263-C266 PolarHBondContact O-N 3.39Å
264T68.4Low83.5Confident46 Ų4617.1 Ų17.128%0.2828%0.079SC..G310 helixtrans-64.7-17.8165.378.40000112.7W64 D262 C266W64-T264 HydrophobicContact CH2-CG2 4.36Å; W64-T264 HydrophobicContact CZ2-CG2 4.19Å; D262-T264 PolarHBondContact O-N 3.27Å; D262-T264 VanDerWaalsContact O-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.23Å; T264-C266 VanDerWaalsContact C-N 3.31Å
265R68.9Low83.9Confident43 Ų4317 Ų1716%0.1628%0.078CC..G310 helixtrans-82-5.9175.6-62.4171.5173.4-83.6-7.6114Q175 D262 S263Q175-R265 VanDerWaalsContact OE1-CD 3.24Å; D262-R265 HydrophobicContact CB-CG 4.27Å; D262-R265 VanDerWaalsContact O-CB 3.31Å; D262-R265 WeakPolarHBondContact O-CB 3.13Å; D262-R265 WeakPolarHBondContact O-CG 3.19Å; D262-R265 PolarHBondContact O-N 3.14Å; D262-R265 WeakPolarHBondContact OD2-CD 3.27Å; D262-R265 IonicContact OD2-CZ 3.83Å; D262-R265 IonicContact OD2-NE 2.97Å; D262-R265 PolarHBondContact OD2-NE 3.19Å; D262-R265 IonicContact OD2-NH2 2.69Å; S263-R265 PolarHBondContact O-N 3.09Å
266C68.1Low84.3Confident8 Ų819.7 Ų19.75%0.0549%0.088CC..SBendtrans-119.8142.1-177.4-61.60000109.6A113 S263 T264 Y268A113-C266 PolarHBondContact N-SG 2.93Å; A113-C266 VanDerWaalsContact N-SG 3.42Å; S263-C266 PolarHBondContact O-N 3.39Å; T264-C266 VanDerWaalsContact C-N 3.31Å; C266-Y268 WeakPolarHBondContact CB-O 3.29Å; C266-Y268 PolarHBondContact O-N 3.46Å
267K66.5Low84.6Confident92 Ų9219.6 Ų19.640%0.49%0.087SC..SBendtrans-61.2-14.5176.2-70.5-165.6173.3-168.80114.2N110 H169N110-K267 PolarHBondContact ND2-N 3.3Å; H169-K267 PolarHBondContact NE2-NZ 3.19Å
268Y73.2Confident84.7Confident85 Ų8519.7 Ų19.733%0.3339%0.088SC..SBendtrans-162172.4-170-148.7-118.7000108.3Y60 Y109 N110 C266Y60-Y268 HydrophobicContact CD2-CD2 4.02Å; Y60-Y268 HydrophobicContact CD2-CE2 4.4Å; Y60-Y268 AromaticContact CE2-CD2 3.98Å; Y60-Y268 HydrophobicContact CE2-CD2 3.98Å; Y60-Y268 AromaticContact CE2-CE2 3.9Å; Y60-Y268 HydrophobicContact CE2-CE2 3.9Å; Y109-Y268 AromaticContact CE1-CD1 3.84Å; Y109-Y268 HydrophobicContact CE1-CD1 3.84Å; Y109-Y268 HydrophobicContact CE1-CE1 4.11Å; N110-Y268 WeakPolarHBondContact ND2-CA 3.42Å; N110-Y268 WeakPolarHBondContact ND2-CB 3.13Å; N110-Y268 PolarHBondContact ND2-N 3.42Å; N110-Y268 PolarHBondContact ND2-O 3.42Å; N110-Y268 VanDerWaalsContact ND2-O 3.12Å; C266-Y268 WeakPolarHBondContact CB-O 3.29Å; C266-Y268 PolarHBondContact O-N 3.46Å
269Y78.7Confident84.7Confident7 Ų719 Ų193%0.0279%0.085CC..  trans-67142.8179.752.2-88.9000113Y25 D50 A56 F57 Y60 Q271Y25-Y269 HydrophobicContact CD2-CE1 4.4Å; Y25-Y269 HydrophobicContact CE2-CE1 4.02Å; D50-Y269 PolarHBondContact OD2-OH 2.82Å; A56-Y269 HydrophobicContact CB-CD2 3.83Å; A56-Y269 HydrophobicContact CB-CE2 4.12Å; F57-Y269 WeakPolarHBondContact O-CB 3.42Å; Y60-Y269 AromaticContact CD1-CD1 3.72Å; Y60-Y269 HydrophobicContact CD1-CD1 3.72Å; Y60-Y269 HydrophobicContact CD1-CG 4.37Å; Y60-Y269 HydrophobicContact CD2-CD1 4.48Å; Y60-Y269 AromaticContact CE1-CD1 3.81Å; Y60-Y269 HydrophobicContact CE1-CD1 3.81Å; Y60-Y269 HydrophobicContact CE1-CE1 4.37Å; Y60-Y269 HydrophobicContact CG-CD1 4.1Å; Y269-Q271 HydrophobicContact CD2-CG 4.2Å; Y269-Q271 HydrophobicContact CE2-CG 4.32Å
270T84.1Confident84.6Confident7 Ų724.6 Ų24.64%0.04311%0.107CC..  trans-83.7140.2172.4-58.60000110.2E107 Y109 N110 A113E107-T270 HydrophobicContact CB-CG2 4.49Å; E107-T270 HydrophobicContact CG-CG2 4Å; Y109-T270 WeakPolarHBondContact O-CA 3.36Å; N110-T270 WeakPolarHBondContact O-CB 3.48Å; N110-T270 PolarHBondContact O-OG1 2.78Å; A113-T270 WeakPolarHBondContact CB-OG1 3.27Å
271Q90.9Very high84.4Confident0 Ų024.3 Ų24.30%011%0.106CC..EExtended strand (participates in β ladder)trans-110.7136.9174.6-64.7-176.615.600111.4D50 S51 T54 G55 A56 E107 T108 Y109 Y269D50-Q271 PolarHBondContact OD1-NE2 2.83Å; S51-Q271 PolarHBondContact O-OE1 3.21Å; T54-Q271 HydrophobicContact CG2-CB 4.28Å; T54-Q271 PolarHBondContact OG1-OE1 2.83Å; G55-Q271 WeakPolarHBondContact O-CA 3.13Å; A56-Q271 HydrophobicContact CB-CG 4.15Å; E107-Q271 VanDerWaalsContact CA-O 3.26Å; E107-Q271 WeakPolarHBondContact CA-O 3.49Å; T108-Q271 PolarHBondContact N-O 2.9Å; T108-Q271 VanDerWaalsContact N-O 3.15Å; Y109-Q271 HydrophobicContact CD1-CG 4.42Å; Y109-Q271 PolarHBondContact O-N 2.57Å; Y269-Q271 HydrophobicContact CD2-CG 4.2Å; Y269-Q271 HydrophobicContact CE2-CG 4.32Å
272I93.3Very high84Confident0 Ų028.1 Ų28.10%012%0.124CC..EExtended strand (participates in β ladder)trans-113125.9171.4-65.8176.8000109.5I38 T54 G55 I105 Y106 E107 F261 A274 V275I38-I272 HydrophobicContact CD1-CB 4.16Å; I38-I272 HydrophobicContact CD1-CG2 4.21Å; I38-I272 HydrophobicContact CG1-CB 4.25Å; I38-I272 HydrophobicContact CG1-CG2 4.05Å; I38-I272 HydrophobicContact CG2-CG2 3.97Å; T54-I272 WeakPolarHBondContact CB-O 3.3Å; G55-I272 PolarHBondContact N-O 3.31Å; G55-I272 PolarHBondContact O-N 3.02Å; I105-I272 HydrophobicContact CG2-CD1 3.79Å; I105-I272 HydrophobicContact CG2-CG1 4.1Å; I105-I272 HydrophobicContact CG2-CG2 4.29Å; Y106-I272 WeakPolarHBondContact O-CA 3.43Å; E107-I272 HydrophobicContact CG-CG1 4.4Å; F261-I272 HydrophobicContact CE1-CD1 3.78Å; F261-I272 HydrophobicContact CZ-CD1 3.7Å; I272-A274 WeakPolarHBondContact CG2-O 3.29Å; I272-V275 HydrophobicContact CG2-CG2 3.96Å
273D94.4Very high83.3Confident1 Ų130.6 Ų30.61%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-85.9-42.9175.9176.944.8000111.5C42 Q43 V44 Y45 T54 Y106 T108C42-D273 WeakPolarHBondContact CA-OD2 3.46Å; C42-D273 WeakPolarHBondContact CB-OD2 3.5Å; Q43-D273 PolarHBondContact N-OD1 2.88Å; Q43-D273 PolarHBondContact N-OD2 2.71Å; V44-D273 HydrophobicContact CB-CB 4.44Å; V44-D273 VanDerWaalsContact N-CG 3.33Å; V44-D273 PolarHBondContact N-OD1 2.8Å; V44-D273 PolarHBondContact N-OD2 3.39Å; Y45-D273 VanDerWaalsContact CB-OD2 3.27Å; Y45-D273 WeakPolarHBondContact CB-OD2 3.06Å; Y45-D273 PolarHBondContact N-OD2 3.27Å; T54-D273 HydrophobicContact CG2-CB 4.39Å; Y106-D273 PolarHBondContact O-N 3.31Å; T108-D273 HydrophobicContact CG2-CB 3.61Å
274A95.9Very high82.4Confident0 Ų033.7 Ų33.70%016%0.156CC..EExtended strand (participates in β ladder)trans-157.8166.7175.800000112.8F14 Y106 I272F14-A274 HydrophobicContact CD1-CB 4.16Å; F14-A274 HydrophobicContact CE1-CB 4.26Å; Y106-A274 HydrophobicContact CD2-CB 4.22Å; Y106-A274 WeakPolarHBondContact CD2-O 3.43Å; Y106-A274 PolarHBondContact N-O 3.45Å; I272-A274 WeakPolarHBondContact CG2-O 3.29Å
275V96.6Very high81.3Confident1 Ų139.4 Ų39.41%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-132.2129.1167.1-178.30000110.3F14 V15 I38 L92 F94 L103 Q104 I105 I259 I272F14-V275 WeakPolarHBondContact CA-O 3.07Å; V15-V275 HydrophobicContact CG2-CB 3.85Å; V15-V275 PolarHBondContact N-O 2.87Å; I38-V275 HydrophobicContact CG2-CB 4.46Å; I38-V275 HydrophobicContact CG2-CG2 3.88Å; L92-V275 HydrophobicContact CD1-CB 4.01Å; L92-V275 HydrophobicContact CD1-CG1 4.14Å; L92-V275 HydrophobicContact CD1-CG2 3.82Å; F94-V275 HydrophobicContact CZ-CG1 4.28Å; L103-V275 HydrophobicContact CD1-CG1 3.58Å; L103-V275 HydrophobicContact CG-CG1 4.39Å; Q104-V275 WeakPolarHBondContact O-CA 3.31Å; I105-V275 HydrophobicContact CB-CG2 4.41Å; I105-V275 HydrophobicContact CG1-CB 4.49Å; I105-V275 HydrophobicContact CG1-CG1 3.87Å; I105-V275 HydrophobicContact CG1-CG2 3.97Å; I105-V275 HydrophobicContact CG2-CG2 4.15Å; I259-V275 HydrophobicContact CD1-CG1 4.5Å; I259-V275 HydrophobicContact CD1-CG2 4.03Å; I272-V275 HydrophobicContact CG2-CG2 3.96Å
276R96Very high79.9Confident67 Ų6743.1 Ų43.125%0.25321%0.212SC..EExtended strand (participates in β ladder)trans-115.9118.9179.9-172.5-176.3176.6-145.86.4110.9Q13 F14 Q104 Y106Q13-R276 CarbonylContact O-C 3.58Å; Q13-R276 WeakPolarHBondContact O-CA 3.42Å; Q13-R276 WeakPolarHBondContact O-CG 3.35Å; F14-R276 HydrophobicContact CD1-CB 3.85Å; F14-R276 HydrophobicContact CD1-CG 4.29Å; F14-R276 HydrophobicContact CE1-CB 3.69Å; F14-R276 HydrophobicContact CE1-CG 4.06Å; F14-R276 HydrophobicContact CE2-CG 4.39Å; F14-R276 HydrophobicContact CZ-CB 4.24Å; F14-R276 HydrophobicContact CZ-CG 4.11Å; Q104-R276 HydrophobicContact CB-CB 4.33Å; Q104-R276 PolarHBondContact N-O 3.14Å; Q104-R276 PolarHBondContact O-N 3.1Å; Y106-R276 HydrophobicContact CE2-CB 4.06Å
277L95.6Very high78.3Confident0 Ų045.1 Ų45.10%022%0.224CC..EExtended strand (participates in β ladder)trans-98.1133.8174.1176.858000109.7Q13 F94 V98 P100 L103 L257Q13-L277 HydrophobicContact CG-CB 4.39Å; Q13-L277 PolarHBondContact N-O 2.99Å; Q13-L277 PolarHBondContact O-N 3.08Å; Q13-L277 VanDerWaalsContact O-O 3.14Å; F94-L277 HydrophobicContact CB-CD2 4.33Å; F94-L277 HydrophobicContact CD1-CB 3.79Å; F94-L277 HydrophobicContact CD1-CD2 4.14Å; F94-L277 HydrophobicContact CD2-CD2 3.74Å; F94-L277 HydrophobicContact CE1-CB 3.51Å; F94-L277 HydrophobicContact CE1-CD2 4.4Å; F94-L277 HydrophobicContact CE2-CB 4.36Å; F94-L277 HydrophobicContact CE2-CD2 4.04Å; F94-L277 HydrophobicContact CG-CB 4.31Å; F94-L277 HydrophobicContact CG-CD2 3.79Å; F94-L277 HydrophobicContact CZ-CB 3.82Å; F94-L277 HydrophobicContact CZ-CD2 4.35Å; V98-L277 HydrophobicContact CG2-CD1 4.35Å; V98-L277 HydrophobicContact CG2-CD2 3.57Å; V98-L277 HydrophobicContact CG2-CG 3.79Å; P100-L277 HydrophobicContact CB-CD1 4.02Å; P100-L277 HydrophobicContact CG-CD1 4.41Å; L103-L277 HydrophobicContact CD1-CB 4.24Å; L103-L277 HydrophobicContact CD1-CD1 4.27Å; L257-L277 HydrophobicContact CD1-CD1 4.2Å; L257-L277 HydrophobicContact CD1-CD2 4.15Å
278S93.9Very high76.6Confident6 Ų647.8 Ų47.84%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-124.4132173.6-52.20000109.9V11 H12 V101 C102V11-S278 VanDerWaalsContact O-CA 3.3Å; V11-S278 WeakPolarHBondContact O-CA 3.26Å; H12-S278 VanDerWaalsContact ND1-CB 3.35Å; H12-S278 WeakPolarHBondContact ND1-CB 3.44Å; H12-S278 PolarHBondContact ND1-OG 3.14Å; V101-S278 PolarHBondContact N-O 2.54Å; C102-S278 PolarHBondContact N-O 2.9Å; C102-S278 PolarHBondContact O-N 2.81Å
279G91.3Very high74.5Confident0 Ų048.8 Ų48.80%026%0.261CS..EExtended strand (participates in β ladder)trans-173.3173.1-176.500000114V11 I99V11-G279 PolarHBondContact N-O 3.23Å; V11-G279 PolarHBondContact O-N 3.15Å; I99-G279 CarbonylContact O-C 3.59Å; I99-G279 WeakPolarHBondContact O-CA 3.31Å
280W91Very high72.3Confident119 Ų11959.1 Ų59.145%0.45130%0.3SS..EExtended strand (participates in β ladder)trans-84.7122.4-179.6-64.9100000110.8W8 E9 L10 V98 I99 V101W8-W280 HydrophobicContact CB-CE3 4.02Å; W8-W280 HydrophobicContact CE3-CB 3.84Å; W8-W280 HydrophobicContact CZ3-CB 4.49Å; E9-W280 WeakPolarHBondContact O-CA 3.25Å; L10-W280 HydrophobicContact CB-CE3 4.29Å; L10-W280 HydrophobicContact CB-CH2 4.33Å; L10-W280 HydrophobicContact CB-CZ3 4.12Å; V98-W280 CarbonylContact C-O 3.49Å; V98-W280 WeakPolarHBondContact CA-O 3.39Å; I99-W280 PolarHBondContact N-O 3.01Å; I99-W280 PolarHBondContact O-N 2.58Å; V101-W280 VanDerWaalsContact CG2-CD1 3.43Å; V101-W280 HydrophobicContact CG2-CG 4.48Å
281A86.7Confident69.6Low5 Ų567.6 Ų67.64%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-101.5151.9169.200000110.6W8 E9 V11 I96 V98W8-A281 VanDerWaalsContact CA-O 3.23Å; W8-A281 WeakPolarHBondContact CA-O 3.08Å; E9-A281 PolarHBondContact N-O 2.59Å; E9-A281 PolarHBondContact O-N 3.29Å; V11-A281 HydrophobicContact CB-CB 4.41Å; V11-A281 HydrophobicContact CG2-CB 3.54Å; I96-A281 HydrophobicContact CG2-CB 3.72Å; V98-A281 HydrophobicContact CG1-CB 4.12Å
282E77.7Confident66.5Low83 Ų8374.4 Ų74.439%0.38838%0.375SS..EExtended strand (participates in β ladder)trans-88.4124.8171-177.9166.3-143.700109.9T6 W8 T284T6-E282 VanDerWaalsContact CB-OE1 3.26Å; T6-E282 WeakPolarHBondContact CB-OE1 3.23Å; T6-E282 WeakPolarHBondContact CG2-OE1 3.48Å; W8-E282 HydrophobicContact CD2-CB 4.34Å; W8-E282 HydrophobicContact CE3-CB 4.24Å; W8-E282 HydrophobicContact CH2-CB 4.05Å; W8-E282 HydrophobicContact CZ2-CB 4.13Å; W8-E282 HydrophobicContact CZ3-CB 4.11Å; E282-T284 PolarHBondContact O-N 2.77Å
283L63.4Low63.5Low69 Ų6977.6 Ų77.636%0.36141%0.408SS..  trans-69.3104.9177-88.3148.6000110.3K7 E9K7-L283 HydrophobicContact CB-CB 4.26Å; K7-L283 HydrophobicContact CB-CD1 3.61Å; K7-L283 HydrophobicContact CD-CD1 4.37Å; K7-L283 WeakPolarHBondContact O-CB 3.11Å; K7-L283 PolarHBondContact O-N 2.94Å; E9-L283 HydrophobicContact CB-CD1 4.05Å; E9-L283 HydrophobicContact CG-CD1 4.04Å; E9-L283 HydrophobicContact CG-CG 4.01Å
284T56.1Low60.4Low69 Ų6985.7 Ų85.742%0.42345%0.446SS..  trans-102.2151164.8530000108.8E282 T286 T287E282-T284 PolarHBondContact O-N 2.77Å; T284-T286 PolarHBondContact O-N 3.46Å; T284-T286 PolarHBondContact OG1-OG1 2.74Å; T284-T287 PolarHBondContact O-N 2.73Å; T284-T287 PolarHBondContact O-OG1 2.85Å; T284-T287 WeakPolarHBondContact OG1-CG2 3.17Å
285D44.3Very low57Low165 Ų16594.2 Ų94.288%0.88249%0.491SS*.THydrogen-bonded Turntrans-66.111.2-172.7-60-61.7000114.6
286T40.6Very low53.8Low121 Ų121102.2 Ų102.274%0.74253%0.528SS*.THydrogen-bonded Turntrans-115.2-8.2-176.943.40000114.9T284 I288T284-T286 PolarHBondContact O-N 3.46Å; T284-T286 PolarHBondContact OG1-OG1 2.74Å; T286-I288 VanDerWaalsContact C-N 3.29Å; T286-I288 PolarHBondContact O-N 2.69Å; T286-I288 VanDerWaalsContact O-N 3.1Å
287T35Very low50.6Low51 Ų51103.3 Ų103.331%0.31355%0.551SS.*  trans-84.530-16955.70000115.9T284T284-T287 PolarHBondContact O-N 2.73Å; T284-T287 PolarHBondContact O-OG1 2.85Å; T284-T287 WeakPolarHBondContact OG1-CG2 3.17Å
288I29.9Very low47.5Very low148 Ų148108.9 Ų108.976%0.75959%0.59SS**  trans-116.871.1-179.7-46.3-176.6000112T286T286-I288 VanDerWaalsContact C-N 3.29Å; T286-I288 PolarHBondContact O-N 2.69Å; T286-I288 VanDerWaalsContact O-N 3.1Å
289S29.9Very low44.4Very low106 Ų106113.4 Ų113.474%0.74162%0.622SS**  trans-124.170158.658.60000109.2
290R31.6Very low41.5Very low224 Ų224118.5 Ų118.585%0.84566%0.658SS**  trans-60.1140.5178.2-71.7-176.3174.3-171.7-3.3110.5
291W27.4Very low38.6Very low185 Ų185118.3 Ų118.370%0.70167%0.674SS**  trans-53.9128.8166.2-96.248.4000110.1G293W291-G293 PolarHBondContact O-N 3.06Å
292P25Very low35.7Very low142 Ų142123.2 Ų123.292%0.92271%0.709SS**THydrogen-bonded Turntrans-74.577.8175.331-34.2000110.2
293G30.2Very low33.3Very low68 Ų68127.8 Ų127.870%0.70173%0.734SS**THydrogen-bonded Turntrans-153.8-15-178.200000115.9W291W291-G293 PolarHBondContact O-N 3.06Å
294Q29.3Very low31.4Very low170 Ų170128.9 Ų128.979%0.79475%0.748SS**  trans-103.492.4172.1-73.6-170.3-77.400111.4
295L25.2Very low30.1Very low179 Ų179133.6 Ų133.694%0.93777%0.769SS**  trans-89.489162-95.3162.9000109.3
296E29.7Very low29.2Very low170 Ų170132.2 Ų132.279%0.79476%0.762SS**  trans-88.1148.4159.4-69.8-169.2169.100109.9
297A29.7Very low28.6Very low89 Ų89132 Ų13274%0.73676%0.76SS**  trans-97.7152.5-153.700000115.5
298S28.8Very low28.4Very low117 Ų117136.1 Ų136.182%0.81878%0.78SS**  trans67145.5157.361.80000118.6
299S29.9Very low28.1Very low101 Ų101134.5 Ų134.571%0.70678%0.777SS**  cis-165.1139.4-12.546.30000112.7
300S29.5Very low28.1Very low108 Ų108136.8 Ų136.876%0.75578%0.781SS**  trans38.9123.6145.564.60000121.7
301S30.1Very low28Very low114 Ų114131.9 Ų131.980%0.79778%0.781SS**  -154.7111.3121.730.80000113.1
302S26.8Very low27.8Very low109 Ų109129.9 Ų129.976%0.76279%0.789SS**  trans29.5114.4145.359.10000120.5
303L27Very low27.7Very low178 Ų178132.3 Ų132.393%0.93279%0.788SS**  -156.8143.8100.3-103.9163.5000110.4
304S23.5Very low27.5Very low92 Ų92138 Ų13864%0.64380%0.796SS**  trans-101.5148.8-168.251.30000113.2
305I28.8Very low27.4Very low169 Ų169134.7 Ų134.787%0.86779%0.792SS**  trans-153.9132.3136.4-97.8146.9000107
306D25.6Very low27.4Very low136 Ų136134.3 Ų134.373%0.72779%0.791SS**  trans-76.9176.7-178.4-47.9-90.1000110.8
307V28.5Very low27.2Very low117 Ų117133.3 Ų133.371%0.70979%0.791SS**  -170.8140.960.8165.70000109.8
308N29.3Very low27Very low137 Ų137139.1 Ų139.173%0.73379%0.794SS**  trans55.8113.7163-61.40.3000118.8
309T25.3Very low27Very low114 Ų114138.1 Ų138.170%0.69979%0.787SS**  68.3104.763.968.90000115.7
310D28.5Very low26.9Very low153 Ų153141.6 Ų141.682%0.81879%0.792SS**  -174.3155.1108.9-95.3-18.2000113.6
311S29Very low27Very low121 Ų121143.9 Ų143.985%0.84680%0.796SS**  trans63.3129.3174.567.20000118.5
312V24.2Very low27.1Very low144 Ų144144.3 Ų144.387%0.87379%0.794SS**  trans-127.1112.8177.41720000109.2
313E23.5Very low27.4Very low193 Ų193143.4 Ų143.490%0.90278%0.78SS**  trans-169.591.6162-121.3178-138.700110.1
314Q24.9Very low27.7Very low186 Ų186136.1 Ų136.187%0.86974%0.744SS**  trans-147.4145.4175.7-78.4-157.8-000116.1
315S27Very low28.2Very low101 Ų101139.2 Ų139.271%0.70675%0.746SS**  trans70.3102.6156.5670000119
316N25Very low28.5Very low171 Ų171134.7 Ų134.791%0.91472%0.72SS**  trans-13247142.4-138-11.5000109.7R318N316-R318 PolarHBondContact O-N 3.46Å
317N26Very low29Very low150 Ų150128.3 Ų128.380%0.80269%0.686SS**  trans-81.498.1-177-80.4-16.1000110.8S319N317-S319 PolarHBondContact O-N 3.37Å
318R26.1Very low29.3Very low211 Ų211126.7 Ų126.780%0.79667%0.674SS**  trans-67.9109.4156-87.1-173.8169.9179.8-3.1108N316N316-R318 PolarHBondContact O-N 3.46Å
319S29.6Very low29.8Very low96 Ų96125.5 Ų125.567%0.67167%0.667SS**  trans-64.4156.5-17248.10000113.4N317 N321N317-S319 PolarHBondContact O-N 3.37Å; S319-N321 PolarHBondContact O-N 2.78Å
320Q27.5Very low30.4Very low174 Ų174121.4 Ų121.481%0.81364%0.64SS**  trans-56.6126170.7-62.3169.6-6.100110.2T322Q320-T322 PolarHBondContact O-N 2.94Å
321N31.9Very low30.7Very low155 Ų155118.2 Ų118.283%0.82962%0.617SS**  trans-71.780.6173.6-80.42.2000110.9S319 L323S319-N321 PolarHBondContact O-N 2.78Å; N321-L323 PolarHBondContact O-N 3.13Å
322T32Very low30.6Very low124 Ų124114.2 Ų114.276%0.76159%0.588SS**  trans-61.8113.8158.848.80000108.2Q320 S324Q320-T322 PolarHBondContact O-N 2.94Å; T322-S324 PolarHBondContact O-N 3.22Å
323L32.1Very low30.8Very low90 Ų90113.3 Ų113.347%0.47159%0.586SS.*  trans-51.1132.7-178.3-80.4130.6000112.3N321N321-L323 PolarHBondContact O-N 3.13Å
324S34.4Very low30.9Very low24 Ų24108.9 Ų108.917%0.16857%0.573CS.*  trans-62.8154-179.778.20000111.4E17 T322 F326 S327E17-S324 VanDerWaalsContact OE2-CB 3.29Å; E17-S324 WeakPolarHBondContact OE2-CB 3.42Å; E17-S324 PolarHBondContact OE2-OG 2.87Å; T322-S324 PolarHBondContact O-N 3.22Å; S324-F326 PolarHBondContact O-N 3.35Å; S324-F326 PolarHBondContact OG-N 3.16Å; S324-S327 VanDerWaalsContact O-CB 3.31Å; S324-S327 WeakPolarHBondContact O-CB 3.38Å; S324-S327 PolarHBondContact O-N 3.37Å; S324-S327 PolarHBondContact O-OG 2.61Å; S324-S327 PolarHBondContact OG-N 3.42Å
325F32.9Very low30.9Very low158 Ų158106.1 Ų106.169%0.69357%0.571SS**THydrogen-bonded Turntrans-57.3-30.8173.1173.6-102.4000112.5D328 L329F325-D328 PolarHBondContact O-N 2.92Å; F325-L329 HydrophobicContact CD1-CD1 4.09Å; F325-L329 HydrophobicContact CE1-CD1 3.5Å; F325-L329 HydrophobicContact CZ-CD1 3.88Å
326F36Very low30.8Very low73 Ų73106.2 Ų106.232%0.3256%0.556SS.*THydrogen-bonded Turntrans-70.3-30.8177.4-62.2-73.8000112.8Y93 S324 D328 L329 L330Y93-F326 HydrophobicContact CE1-CD2 4.27Å; Y93-F326 HydrophobicContact CE2-CD2 4.42Å; Y93-F326 AromaticContact CZ-CD2 3.81Å; Y93-F326 WeakPolarHBondContact OH-CD2 3.37Å; Y93-F326 WeakPolarHBondContact OH-CE2 3.43Å; S324-F326 PolarHBondContact O-N 3.35Å; S324-F326 PolarHBondContact OG-N 3.16Å; F326-D328 PolarHBondContact O-N 3.08Å; F326-L329 PolarHBondContact O-N 3.29Å; F326-L330 PolarHBondContact O-N 2.84Å
327S36.5Very low30.8Very low2 Ų2104.4 Ų104.41%0.01455%0.545CS..Hα-helixtrans-60.9-25.9176.8820000113.6E17 S324 R331E17-S327 WeakPolarHBondContact OE1-CB 3.22Å; S324-S327 VanDerWaalsContact O-CB 3.31Å; S324-S327 WeakPolarHBondContact O-CB 3.38Å; S324-S327 PolarHBondContact O-N 3.37Å; S324-S327 PolarHBondContact O-OG 2.61Å; S324-S327 PolarHBondContact OG-N 3.42Å; S327-R331 WeakPolarHBondContact O-CD 3.33Å; S327-R331 WeakPolarHBondContact O-CG 3.45Å; S327-R331 PolarHBondContact O-NE 2.8Å
328D34.5Very low30.6Very low84 Ų84109.1 Ų109.145%0.44955%0.552SS.*Hα-helixtrans-87-16.3175.7-85.3-16000113.5F325 F326 R336F325-D328 PolarHBondContact O-N 2.92Å; F326-D328 PolarHBondContact O-N 3.08Å; D328-R336 WeakPolarHBondContact OD1-CD 3.31Å; D328-R336 IonicContact OD1-CZ 2.89Å; D328-R336 IonicContact OD1-NE 3.34Å; D328-R336 PolarHBondContact OD1-NE 3.11Å; D328-R336 IonicContact OD1-NH1 2.88Å; D328-R336 PolarHBondContact OD1-NH1 3.12Å; D328-R336 IonicContact OD2-NH1 3.96Å
329L39Very low30.6Very low112 Ų112104 Ų10459%0.58655%0.554SS**Hα-helixtrans-91.5-29-175.8-102.1162.2000113.8F325 F326F325-L329 HydrophobicContact CD1-CD1 4.09Å; F325-L329 HydrophobicContact CE1-CD1 3.5Å; F325-L329 HydrophobicContact CZ-CD1 3.88Å; F326-L329 PolarHBondContact O-N 3.29Å
330L38.3Very low30.5Very low27 Ų27103.9 Ų103.914%0.14155%0.554CS.*Hα-helixtrans-96.1-27.7-178.6-65.7172.4000113.2V19 R133 L135 L256 F326V19-L330 HydrophobicContact CG1-CB 3.94Å; V19-L330 HydrophobicContact CG1-CD1 3.83Å; R133-L330 PolarHBondContact NH1-O 2.74Å; L135-L330 HydrophobicContact CD1-CD2 3.92Å; L135-L330 HydrophobicContact CD2-CD2 4.44Å; L256-L330 HydrophobicContact CD2-CD1 3.82Å; F326-L330 PolarHBondContact O-N 2.84Å
331R33.6Very low30.5Very low86 Ų86101.2 Ų101.233%0.32556%0.555SS.*SBendtrans-61.7139.1175.8-73.6173.5-158.3-105.3-6.2111.3S327 C333S327-R331 WeakPolarHBondContact O-CD 3.33Å; S327-R331 WeakPolarHBondContact O-CG 3.45Å; S327-R331 PolarHBondContact O-NE 2.8Å; R331-C333 PolarHBondContact O-N 3.09Å
332P27.4Very low30.3Very low38 Ų38104.3 Ų104.325%0.24756%0.556CS.*  trans-53.3126.2154.9-15.528.4000108.8T334 V403P332-T334 PolarHBondContact O-N 3.27Å; P332-V403 HydrophobicContact CG-CB 3.94Å; P332-V403 HydrophobicContact CG-CG1 4.4Å; P332-V403 HydrophobicContact CG-CG2 3.76Å
333C27.6Very low30Very low124 Ų124105.6 Ų105.684%0.83856%0.558SS**  trans-61.296.3-166.4-63.50000113.2R331R331-C333 PolarHBondContact O-N 3.09Å
334T25.8Very low29.7Very low100 Ų100108 Ų10861%0.61357%0.571SS**  trans-77.4125.4154390000107.4P332 R336P332-T334 PolarHBondContact O-N 3.27Å; T334-R336 PolarHBondContact O-N 3.4Å
335P24.6Very low29.4Very low128 Ų128112 Ų11283%0.83160%0.595SS**  trans-71.994.8-171.427.2-34.4000111.3L337P335-L337 PolarHBondContact O-N 3.27Å
336R25.9Very low29.1Very low103 Ų103111.4 Ų111.439%0.38960%0.599SS.*  trans-69.4115.6170.1-72.8-174176.5173.1-5.9110D328 T334 R338D328-R336 WeakPolarHBondContact OD1-CD 3.31Å; D328-R336 IonicContact OD1-CZ 2.89Å; D328-R336 IonicContact OD1-NE 3.34Å; D328-R336 PolarHBondContact OD1-NE 3.11Å; D328-R336 IonicContact OD1-NH1 2.88Å; D328-R336 PolarHBondContact OD1-NH1 3.12Å; D328-R336 IonicContact OD2-NH1 3.96Å; T334-R336 PolarHBondContact O-N 3.4Å; R336-R338 PolarHBondContact O-N 3.47Å
337L24.6Very low28.7Very low133 Ų133116.7 Ų116.770%0.69662%0.624SS**  trans-65.7112.1165.5-74.5163000108.5P335 A339 C470P335-L337 PolarHBondContact O-N 3.27Å; L337-A339 PolarHBondContact O-N 2.91Å; L337-C470 HydrophobicContact CD1-CB 4.04Å; L337-C470 WeakPolarHBondContact CD1-O 3.31Å
338R23.2Very low28.3Very low250 Ų250121.4 Ų121.494%0.94366%0.655SS**  trans-60.2122.6173.9-73.4-179.1174.8173.1-2.6110.1R336R336-R338 PolarHBondContact O-N 3.47Å
339A26Very low28.1Very low102 Ų102126.1 Ų126.184%0.84368%0.676SS**  trans-109.1104.6154.600000106.7L337 S341L337-A339 PolarHBondContact O-N 2.91Å; A339-S341 PolarHBondContact O-N 2.99Å
340S27.3Very low27.4Very low94 Ų94127.6 Ų127.666%0.65769%0.685SS**  trans-81.3111.6-177.951.40000110.8Y342S340-Y342 PolarHBondContact O-N 2.81Å
341S26.8Very low26.7Very low119 Ų119133.1 Ų133.183%0.83271%0.714SS**  trans-72.1104.9161.554.10000109.3A339A339-S341 PolarHBondContact O-N 2.99Å
342Y27.2Very low26.3Very low219 Ų219133.1 Ų133.186%0.85973%0.727SS**  trans-111.9137.2159.2-84.1-76.2000108.7S340S340-Y342 PolarHBondContact O-N 2.81Å
343N25.3Very low26.2Very low151 Ų151141.3 Ų141.381%0.80776%0.759SS**  trans-123.1159.3-177.5-144.35.3000108
344L26.2Very low26.3Very low142 Ų142139.4 Ų139.474%0.74375%0.747SS**  trans75.6111.9168.6-58.1166.2000118.7
345T27.7Very low26.5Very low107 Ų107141.7 Ų141.766%0.65676%0.756SS**  61.5116.1129.5600000122.4
346D27.4Very low26.7Very low146 Ų146139.3 Ų139.378%0.78175%0.747SS**  80.6115.5123.4-54-8.6000122.7
347E27.9Very low27Very low184 Ų184139.7 Ų139.786%0.8677%0.765SS**  trans73.3148.4149.6-67.1-66.998.500121.9
348P28.5Very low27.2Very low100 Ų100140.6 Ų140.665%0.64977%0.77SS**  trans-122.5163-167.842.2-28.7000115.8
349M29.1Very low27.6Very low184 Ų184134.2 Ų134.291%0.90675%0.754SS**  trans-164.6117.8143.4-115.3-171.1-65.800114.9
350D24.3Very low27.8Very low143 Ų143137.2 Ų137.277%0.76575%0.751SS**  trans35.2147.7130.3-98.4-32.9000127.3
351L24.9Very low28.1Very low142 Ų142138.2 Ų138.274%0.74376%0.757SS**  trans84.2102.3141.2-73167.6000124.8
352S25Very low28.3Very low87 Ų87137.8 Ų137.861%0.60875%0.754SS**  71.5121.7119.266.60000125.2
353F24.8Very low28.9Very low209 Ų209132.1 Ų132.192%0.91775%0.745SS**  trans57.6156.7131.5-72.1-69.4000121
354S29.3Very low29.3Very low85 Ų85131 Ų13159%0.59474%0.739SS**  cis-157.4-178.11.644.30000112.8
355D30.3Very low29.8Very low148 Ų148131.5 Ų131.579%0.79174%0.737SS**  trans75.3158.1152.7-58.5-47.6000121.8
356A29.3Very low30.1Very low77 Ų77133 Ų13364%0.63674%0.74SS**  cis-173166.1-33.500000111.2
357S32.3Very low30.4Very low112 Ų112129.5 Ų129.578%0.78373%0.732SS**  trans69.5159.6162.478.20000118.7
358L28.4Very low30.8Very low152 Ų152127.6 Ų127.680%0.79673%0.728SS**  cis-169.1179.1-24-97.8-179.5000105.9
359L31.6Very low31.2Very low116 Ų116130.2 Ų130.261%0.60773%0.731SS**  cis-1601651.4-128.3-171.2000109.3
360E30.2Very low31.3Very low165 Ų165127.4 Ų127.477%0.77172%0.72SS**  trans50.5156.7148.6-90.5150.1-144.600123.3
361S34.7Very low31.9Very low114 Ų114127.5 Ų127.580%0.79772%0.719SS**  cis-150.2174.9-1.852.90000113
362S29.3Very low32.4Very low110 Ų110127.1 Ų127.177%0.76972%0.718SS**  trans-129.8-157.7-177.759.70000109.6
363P40Very low32.8Very low101 Ų101130 Ų13066%0.65672%0.721SS**  cis-141.4-135.35.943.6-19.6000114.7
364D34.8Very low33.3Very low128 Ų128125.7 Ų125.768%0.68471%0.708SS**  trans74.6139.1171.3-61.1-30.5000118.9
365Q35.8Very low33.5Very low151 Ų151128.2 Ų128.271%0.70671%0.708SS**  cis-164.7174.4-12.9-113.1172.452.300106.8
366L34Very low33.5Very low138 Ų138126.8 Ų126.872%0.72371%0.71SS**  cis-157.61673.3-136.5175.7000107.8
367A34.6Very low33.6Very low74 Ų74128.1 Ų128.161%0.61272%0.715SS**  trans65.1175.7157.800000119.6
368D35.2Very low33.5Very low143 Ų143128 Ų12877%0.76571%0.714SS**  -167.2173.9-52.6-80.2-37000106.5
369E36.7Very low33.5Very low155 Ų155125.9 Ų125.972%0.72471%0.712SS**  cis-154.1171.56.6-144.3-167.5-96.200110.7
370N32.3Very low33.3Very low126 Ų126125.2 Ų125.267%0.67472%0.717SS**  trans13.9144.2145.7-68.6-18.9000122
371I36.2Very low33.1Very low145 Ų145122.8 Ų122.874%0.74472%0.718SS**  cis-160.2179.18.9-148163.6000107.6
372D35.6Very low32.7Very low133 Ų133122.6 Ų122.671%0.71172%0.717SS**  cis-159.6-168.118.2-144.8-40.8000111.7
373E32.8Very low32.6Very low147 Ų147122.4 Ų122.469%0.68772%0.715SS**  trans-85.1173.7174.3-52.8-155.1139.700113K375E373-K375 IonicContact OE2-NZ 2.71Å; E373-K375 PolarHBondContact OE2-NZ 3.32Å
374D35Very low32Very low120 Ų120122.4 Ų122.464%0.64272%0.724SS**  cis-160.714840.2-147.32.4000122.1
375K33.8Very low31.7Very low137 Ų137124.7 Ų124.760%0.59674%0.735SS**  trans21.2124.3158.6-75.8153.9-154.886.80124.4E373E373-K375 IonicContact OE2-NZ 2.71Å; E373-K375 PolarHBondContact OE2-NZ 3.32Å
376S31.7Very low31.2Very low118 Ų118124.9 Ų124.983%0.82574%0.74SS**  trans82.6144.6132.784.80000119.6
377S30.8Very low30.8Very low106 Ų106123.4 Ų123.474%0.74174%0.739SS**  cis-156.8162.4-2.957.40000115.1
378S29.2Very low30.4Very low109 Ų109127.3 Ų127.376%0.76275%0.748SS**  trans90.5140.215281.90000122.9
379S28.9Very low29.9Very low108 Ų108125.9 Ų125.976%0.75575%0.748SS**  trans86.6119.316073.20000122.2
380S28.3Very low29.4Very low102 Ų102127 Ų12771%0.71376%0.757SS**  trans40.7112.3151.3500000120.5
381S26.2Very low29Very low114 Ų114131.7 Ų131.780%0.79777%0.765SS**  59.2128.870.978.60000114.4
382S26.6Very low28.6Very low109 Ų109136.1 Ų136.176%0.76277%0.772SS**  cis-155.8156.833.4-158.50000114.8
383S26Very low28.1Very low106 Ų106139.5 Ų139.574%0.74178%0.781SS**  trans-10123.3163.758.30000119.3
384A27.6Very low28.2Very low101 Ų101137.8 Ų137.884%0.83579%0.785SS**  trans-111.5131.3156.600000109.9
385L28.1Very low28.4Very low176 Ų176137.3 Ų137.392%0.92179%0.791SS**  trans-90.5121-179.8-71.7167.2000111.3
386L25.3Very low28.8Very low155 Ų155132.7 Ų132.781%0.81278%0.782SS**  trans-69.4169.9158.2-91.6168.1000109.6
387P26.9Very low29.5Very low108 Ų108132.3 Ų132.370%0.70177%0.77SS**  cis-158.9-171.146.740.3-14.6000120.2
388I25.7Very low30.4Very low156 Ų156129.9 Ų129.980%0.875%0.748SS**  trans81122.5161.2-50.4-178.5000118.3
389C23.2Very low31.7Very low112 Ų112129.9 Ų129.976%0.75774%0.736SS**  trans-108.7153.4173.1-55.30000111.2
390I26.6Very low32.9Very low178 Ų178125.1 Ų125.191%0.91370%0.702SS**  trans-106.7125.4156.8-61.8177.7000108.3
391R24.3Very low33.8Very low226 Ų226123.9 Ų123.985%0.85369%0.692SS**  trans-118127.7175.8-80-180165.1-176.7-3.5110.1
392R27.6Very low34.8Very low237 Ų237123.1 Ų123.189%0.89468%0.684SS**  170.7119.5117.3-92.7168.4-176.7-164.51.7114.3
393K26.1Very low35.3Very low205 Ų205121.9 Ų121.989%0.89167%0.672SS**  trans23.5115139.5-57.3-178.7177.4-174.70120.3
394S34Very low36.2Very low110 Ų110119.6 Ų119.677%0.76967%0.665SS**  trans-166.8139.7130.5510000112.5G396S394-G396 PolarHBondContact O-N 3.33Å
395S38.9Very low36.7Very low111 Ų111123.4 Ų123.478%0.77667%0.668SS**  trans13.883.5163.1560000118.4L397S395-L397 VanDerWaalsContact C-N 3.35Å; S395-L397 PolarHBondContact O-N 3.12Å
396G42.2Very low37.7Very low39 Ų39119.4 Ų119.440%0.40265%0.648SS.*  trans-76.773178.600000114.6S394 S426S394-G396 PolarHBondContact O-N 3.33Å; G396-S426 WeakPolarHBondContact O-CB 3.07Å; G396-S426 PolarHBondContact O-N 3.25Å; G396-S426 PolarHBondContact O-OG 3.1Å
397L47.2Very low38.8Very low111 Ų111114.7 Ų114.758%0.58162%0.623SS**EExtended strand (participates in β ladder)trans-90.9138.7154.1-69.8173.4000108.8S395 I423 C424 Q425S395-L397 VanDerWaalsContact C-N 3.35Å; S395-L397 PolarHBondContact O-N 3.12Å; L397-I423 HydrophobicContact CB-CG2 4.14Å; L397-I423 HydrophobicContact CD1-CG2 4.12Å; L397-I423 HydrophobicContact CD2-CG2 4.38Å; L397-I423 HydrophobicContact CG-CG2 4.45Å; L397-C424 CarbonylContact C-O 3.54Å; L397-C424 WeakPolarHBondContact CA-O 3.33Å; L397-Q425 HydrophobicContact CD2-CG 4.14Å
398I49.7Very low39.9Very low54 Ų54114.2 Ų114.228%0.27761%0.614SS.*EExtended strand (participates in β ladder)trans-114.5132.3171.8-63.7179.3000107.4C424I398-C424 PolarHBondContact N-O 2.95Å; I398-C424 PolarHBondContact O-N 3.33Å; I398-C424 PolarHBondContact O-SG 2.9Å
399Q55.3Low41.1Very low110 Ų110107.1 Ų107.151%0.51458%0.578SS.*EExtended strand (participates in β ladder)trans-88.1122.1164.1-166.6174.317.100108.2G421 I423Q399-G421 VanDerWaalsContact CG-O 3.32Å; Q399-G421 WeakPolarHBondContact CG-O 3.36Å; Q399-G421 PolarHBondContact NE2-O 3.09Å; Q399-I423 HydrophobicContact CB-CG1 4.34Å; Q399-I423 HydrophobicContact CG-CG1 4.01Å
400I56.2Low42.2Very low7 Ų7105.7 Ų105.74%0.03656%0.562CS.*PPolyproline II helixtrans-58.7137.9167.8-62.1-177.3000107.5L407 L418 G421 T422 F429I400-L407 HydrophobicContact CD1-CB 4.06Å; I400-L407 HydrophobicContact CD1-CD1 4.14Å; I400-L407 HydrophobicContact CG1-CD1 4.41Å; I400-L407 HydrophobicContact CG2-CD1 3.8Å; I400-L418 HydrophobicContact CD1-CB 3.56Å; I400-L418 HydrophobicContact CD1-CD1 3.95Å; I400-L418 HydrophobicContact CD1-CG 4.41Å; I400-G421 WeakPolarHBondContact O-CA 3.34Å; I400-G421 PolarHBondContact O-N 3.44Å; I400-T422 PolarHBondContact N-O 3.18Å; I400-F429 HydrophobicContact CD1-CE2 4.29Å; I400-F429 HydrophobicContact CD1-CZ 3.77Å; I400-F429 HydrophobicContact CG1-CE2 4.29Å; I400-F429 HydrophobicContact CG1-CZ 3.86Å
401P45.6Very low43.3Very low76 Ų76102 Ų10249%0.49454%0.541SS..PPolyproline II helixtrans-47.6137.7176.5-29.836.1000111.9V403 P420 G421P401-V403 PolarHBondContact O-N 3.43Å; P401-P420 CarbonylContact O-C 3.6Å; P401-P420 VanDerWaalsContact O-CA 3.29Å; P401-P420 WeakPolarHBondContact O-CA 3.31Å; P401-P420 WeakPolarHBondContact O-CB 3.17Å; P401-G421 PolarHBondContact O-N 2.9Å
402P47.7Very low44.3Very low98 Ų9896.6 Ų96.664%0.63654%0.538SS*.SBendtrans-72.712.3-177.830.7-36.1000113.9
403V38Very low44.9Very low83 Ų8396.7 Ų96.750%0.50354%0.538SS..SBendtrans-141.5136.2-176.3-157.30000108.8P332 P401P332-V403 HydrophobicContact CG-CB 3.94Å; P332-V403 HydrophobicContact CG-CG1 4.4Å; P332-V403 HydrophobicContact CG-CG2 3.76Å; P401-V403 PolarHBondContact O-N 3.43Å
404G44.3Very low45.6Very low59 Ų5992.3 Ų92.361%0.60852%0.524SS*.SBendtrans134.5-172.4-179.300000112.7P420G404-P420 WeakPolarHBondContact O-CG 3.4Å
405M37.8Very low46.1Very low181 Ų18192.5 Ų92.589%0.89252%0.516SS*.SBendtrans-85.3163.3169.4-71.2-160.5-76.500111.7L407M405-L407 PolarHBondContact O-N 3.23Å
406N48.2Very low46.9Very low92 Ų9289.5 Ų89.549%0.49249%0.493SS..  trans-53.1127.3174.4-70.6-26.6000111.6L408 A417 P419N406-L408 PolarHBondContact O-N 3.22Å; N406-L408 VanDerWaalsContact O-N 3.15Å; N406-A417 HydrophobicContact CB-CB 3.95Å; N406-P419 WeakPolarHBondContact OD1-CA 3.47Å
407L49.9Very low47.6Very low56 Ų5689.9 Ų89.929%0.29349%0.492SS..EExtended strand (participates in β ladder)trans-82.495.9179.1-125161000109.2I400 M405 L409 L418 F429I400-L407 HydrophobicContact CD1-CB 4.06Å; I400-L407 HydrophobicContact CD1-CD1 4.14Å; I400-L407 HydrophobicContact CG1-CD1 4.41Å; I400-L407 HydrophobicContact CG2-CD1 3.8Å; M405-L407 PolarHBondContact O-N 3.23Å; L407-L409 PolarHBondContact O-N 2.95Å; L407-L418 PolarHBondContact N-O 3Å; L407-L418 PolarHBondContact O-N 3.01Å; L407-F429 HydrophobicContact CD1-CE1 3.81Å; L407-F429 HydrophobicContact CD1-CZ 4.02Å; L407-F429 HydrophobicContact CD2-CE1 4.1Å; L407-F429 HydrophobicContact CD2-CZ 4.43Å
408L50.2Low48.2Very low97 Ų9785.8 Ų85.851%0.50847%0.471SS..EExtended strand (participates in β ladder)trans-66.2115.8178.6-68177000110.9N406 L415 A417 P444N406-L408 PolarHBondContact O-N 3.22Å; N406-L408 VanDerWaalsContact O-N 3.15Å; L408-L415 HydrophobicContact CB-CD2 3.85Å; L408-L415 HydrophobicContact CD2-CD2 4.35Å; L408-L415 HydrophobicContact CG-CD2 4.46Å; L408-A417 HydrophobicContact CD2-CB 4.12Å; L408-P444 VanDerWaalsContact O-CB 3.23Å; L408-P444 WeakPolarHBondContact O-CB 3.33Å; L408-P444 WeakPolarHBondContact O-CG 3.33Å
409L51Low48.7Very low8 Ų885.9 Ų85.94%0.04248%0.475CS..EExtended strand (participates in β ladder)trans-123.4133.1-179.5-87158.3000110.8L407 Q411 V416 L418 F429 P444L407-L409 PolarHBondContact O-N 2.95Å; L409-Q411 PolarHBondContact O-N 2.68Å; L409-V416 PolarHBondContact N-O 3.47Å; L409-V416 PolarHBondContact O-N 3.11Å; L409-L418 HydrophobicContact CD1-CD1 3.48Å; L409-L418 VanDerWaalsContact CD1-CD1 3.48Å; L409-L418 HydrophobicContact CD1-CG 3.92Å; L409-F429 HydrophobicContact CD1-CE2 3.87Å; L409-F429 HydrophobicContact CD1-CZ 3.78Å; L409-P444 HydrophobicContact CD2-CB 4.37Å; L409-P444 HydrophobicContact CD2-CG 4.18Å
410L46.2Very low48.6Very low81 Ų8182.6 Ų82.642%0.42446%0.463SS..EExtended strand (participates in β ladder)trans-83.5107.4177.6-169.975.6000109.9N414 L415L410-N414 WeakPolarHBondContact CA-O 3.5Å; L410-L415 HydrophobicContact CD1-CG 4.42Å
411Q48.4Very low48.4Very low101 Ų10183.2 Ų83.247%0.47247%0.472SS..EExtended strand (participates in β ladder)trans-123.9121.1179.1-175.2174.6-5.900109.5L409 R413 N414 V416L409-Q411 PolarHBondContact O-N 2.68Å; Q411-R413 VanDerWaalsContact C-N 3.33Å; Q411-R413 PolarHBondContact O-N 3.22Å; Q411-N414 PolarHBondContact N-O 3.07Å; Q411-N414 PolarHBondContact O-N 2.91Å; Q411-V416 HydrophobicContact CB-CG2 4Å
412S45.7Very low49.4Very low112 Ų11281.3 Ų81.378%0.78346%0.459SS*.THydrogen-bonded Turntrans50.746177.8-560000114.4N414S412-N414 PolarHBondContact O-N 3.07Å
413R40.7Very low50.3Low239 Ų23981.9 Ų81.990%0.90246%0.455SS*.THydrogen-bonded Turntrans68.5-10-172.6-57.2-176.4175.8-171.3-1.9116.5Q411Q411-R413 VanDerWaalsContact C-N 3.33Å; Q411-R413 PolarHBondContact O-N 3.22Å
414N40Very low51.3Low113 Ų11378.4 Ų78.460%0.60443%0.434SS*.EExtended strand (participates in β ladder)trans-90145.1175.8-67.3-20.5000111.6L410 Q411 S412 V416L410-N414 WeakPolarHBondContact CA-O 3.5Å; Q411-N414 PolarHBondContact N-O 3.07Å; Q411-N414 PolarHBondContact O-N 2.91Å; S412-N414 PolarHBondContact O-N 3.07Å; N414-V416 PolarHBondContact O-N 2.79Å
415L45.2Very low51.7Low114 Ų11481.3 Ų81.360%0.59743%0.432SS*.EExtended strand (participates in β ladder)trans-84.9105.7168.9-101.3156.7000108.7L408 L410L408-L415 HydrophobicContact CB-CD2 3.85Å; L408-L415 HydrophobicContact CD2-CD2 4.35Å; L408-L415 HydrophobicContact CG-CD2 4.46Å; L410-L415 HydrophobicContact CD1-CG 4.42Å
416V54.4Low52.2Low48 Ų4873.3 Ų73.329%0.29139%0.394SS..EExtended strand (participates in β ladder)trans-99.7122.1-179.8-176.40000109.1L409 Q411 N414 L418L409-V416 PolarHBondContact N-O 3.47Å; L409-V416 PolarHBondContact O-N 3.11Å; Q411-V416 HydrophobicContact CB-CG2 4Å; N414-V416 PolarHBondContact O-N 2.79Å; V416-L418 HydrophobicContact CG1-CD2 3.97Å; V416-L418 PolarHBondContact O-N 3.28Å
417A57.7Low52.2Low47 Ų4772.3 Ų72.339%0.38839%0.394SS..EExtended strand (participates in β ladder)trans-78.1108.5170.400000109.8N406 L408 P419N406-A417 HydrophobicContact CB-CB 3.95Å; L408-A417 HydrophobicContact CD2-CB 4.12Å; A417-P419 WeakPolarHBondContact O-CD 3.13Å
418L60.3Low52.2Low26 Ų2672.7 Ų72.714%0.13640%0.396CS..EExtended strand (participates in β ladder)trans-87114.8166-61.9-164.3000109.2I400 L407 L409 V416 T422 C424I400-L418 HydrophobicContact CD1-CB 3.56Å; I400-L418 HydrophobicContact CD1-CD1 3.95Å; I400-L418 HydrophobicContact CD1-CG 4.41Å; L407-L418 PolarHBondContact N-O 3Å; L407-L418 PolarHBondContact O-N 3.01Å; L409-L418 HydrophobicContact CD1-CD1 3.48Å; L409-L418 VanDerWaalsContact CD1-CD1 3.48Å; L409-L418 HydrophobicContact CD1-CG 3.92Å; V416-L418 HydrophobicContact CG1-CD2 3.97Å; V416-L418 PolarHBondContact O-N 3.28Å; L418-T422 HydrophobicContact CB-CG2 4.43Å; L418-T422 HydrophobicContact CD1-CG2 4.31Å; L418-T422 HydrophobicContact CD2-CG2 4.42Å; L418-C424 HydrophobicContact CD1-CB 4.31Å
419P60.1Low52.2Low56 Ų5670.5 Ų70.536%0.36438%0.382SS..  trans-66.9158.6179.925.5-32.9000112.3N406 A417 G421 T422N406-P419 WeakPolarHBondContact OD1-CA 3.47Å; A417-P419 WeakPolarHBondContact O-CD 3.13Å; P419-G421 PolarHBondContact O-N 3.27Å; P419-T422 VanDerWaalsContact CD-OG1 3.25Å; P419-T422 WeakPolarHBondContact CD-OG1 3.24Å; P419-T422 WeakPolarHBondContact CG-OG1 3.06Å; P419-T422 WeakPolarHBondContact O-CB 3.41Å; P419-T422 PolarHBondContact O-N 3.09Å; P419-T422 PolarHBondContact O-OG1 3.25Å
420P53.1Low51.5Low41 Ų4171.7 Ų71.727%0.26640%0.396SS..THydrogen-bonded Turntrans-48.3140.2169-25.533.8000111.6P401 G404 T422P401-P420 CarbonylContact O-C 3.6Å; P401-P420 VanDerWaalsContact O-CA 3.29Å; P401-P420 WeakPolarHBondContact O-CA 3.31Å; P401-P420 WeakPolarHBondContact O-CB 3.17Å; G404-P420 WeakPolarHBondContact O-CG 3.4Å; P420-T422 VanDerWaalsContact C-N 3.32Å; P420-T422 PolarHBondContact O-N 3.18Å
421G51.1Low50.8Low20 Ų2074.3 Ų74.321%0.20641%0.41CS..THydrogen-bonded Turntrans84.4-7.1-178.900000115.7Q399 I400 P401 P419 I423Q399-G421 VanDerWaalsContact CG-O 3.32Å; Q399-G421 WeakPolarHBondContact CG-O 3.36Å; Q399-G421 PolarHBondContact NE2-O 3.09Å; I400-G421 WeakPolarHBondContact O-CA 3.34Å; I400-G421 PolarHBondContact O-N 3.44Å; P401-G421 PolarHBondContact O-N 2.9Å; P419-G421 PolarHBondContact O-N 3.27Å; G421-I423 PolarHBondContact O-N 3.13Å
422T67.3Low50Low36 Ų3672.5 Ų72.522%0.22141%0.406CS..  trans-59.6126.8179.6-59.20000111.7I400 L418 P419 P420I400-T422 PolarHBondContact N-O 3.18Å; L418-T422 HydrophobicContact CB-CG2 4.43Å; L418-T422 HydrophobicContact CD1-CG2 4.31Å; L418-T422 HydrophobicContact CD2-CG2 4.42Å; P419-T422 VanDerWaalsContact CD-OG1 3.25Å; P419-T422 WeakPolarHBondContact CD-OG1 3.24Å; P419-T422 WeakPolarHBondContact CG-OG1 3.06Å; P419-T422 WeakPolarHBondContact O-CB 3.41Å; P419-T422 PolarHBondContact O-N 3.09Å; P419-T422 PolarHBondContact O-OG1 3.25Å; P420-T422 VanDerWaalsContact C-N 3.32Å; P420-T422 PolarHBondContact O-N 3.18Å
423I65.9Low49.3Very low110 Ų11077.2 Ų77.256%0.56441%0.408SS*.EExtended strand (participates in β ladder)trans-83.8125.4170-56176.8000108.4L397 Q399 G421L397-I423 HydrophobicContact CB-CG2 4.14Å; L397-I423 HydrophobicContact CD1-CG2 4.12Å; L397-I423 HydrophobicContact CD2-CG2 4.38Å; L397-I423 HydrophobicContact CG-CG2 4.45Å; Q399-I423 HydrophobicContact CB-CG1 4.34Å; Q399-I423 HydrophobicContact CG-CG1 4.01Å; G421-I423 PolarHBondContact O-N 3.13Å
424C59.3Low48.7Very low10 Ų1073.5 Ų73.57%0.06841%0.406CS..EExtended strand (participates in β ladder)trans-144.6161.9-17261.60000110.6L397 I398 L418 L428 F429L397-C424 CarbonylContact C-O 3.54Å; L397-C424 WeakPolarHBondContact CA-O 3.33Å; I398-C424 PolarHBondContact N-O 2.95Å; I398-C424 PolarHBondContact O-N 3.33Å; I398-C424 PolarHBondContact O-SG 2.9Å; L418-C424 HydrophobicContact CD1-CB 4.31Å; C424-L428 HydrophobicContact CB-CD1 3.89Å; C424-F429 WeakPolarHBondContact SG-CE2 3.49Å
425Q53.6Low48.2Very low120 Ų12072.5 Ų72.556%0.56140%0.4SS*.EExtended strand (participates in β ladder)trans-71.5140174.6-66.4-171-6.700111.2L397 S427 L428L397-Q425 HydrophobicContact CD2-CG 4.14Å; Q425-S427 WeakPolarHBondContact CB-OG 3.45Å; Q425-S427 PolarHBondContact O-N 3.32Å; Q425-S427 VanDerWaalsContact O-N 3.1Å; Q425-S427 PolarHBondContact OE1-OG 2.82Å; Q425-L428 WeakPolarHBondContact O-CB 3.2Å; Q425-L428 PolarHBondContact O-N 2.85Å
426S48.6Very low47.6Very low13 Ų1373.5 Ų73.59%0.09140%0.402CS..G310 helixtrans-54.7-26.3172.451.80000114G396 L428 F429 G430 T432G396-S426 WeakPolarHBondContact O-CB 3.07Å; G396-S426 PolarHBondContact O-N 3.25Å; G396-S426 PolarHBondContact O-OG 3.1Å; S426-L428 VanDerWaalsContact C-N 3.3Å; S426-L428 PolarHBondContact O-N 3.3Å; S426-F429 PolarHBondContact O-N 3.43Å; S426-F429 VanDerWaalsContact O-N 3.12Å; S426-G430 PolarHBondContact O-N 2.71Å; S426-T432 PolarHBondContact OG-OG1 3.13Å
427S47.2Very low46.8Very low70 Ų7077.8 Ų77.849%0.4942%0.423SS..G310 helixtrans-59-33.5172.254.10000113.6Q425 F429 G430Q425-S427 WeakPolarHBondContact CB-OG 3.45Å; Q425-S427 PolarHBondContact O-N 3.32Å; Q425-S427 VanDerWaalsContact O-N 3.1Å; Q425-S427 PolarHBondContact OE1-OG 2.82Å; S427-F429 PolarHBondContact O-N 3.45Å; S427-G430 PolarHBondContact O-N 3.09Å
428L49.8Very low45.7Very low64 Ų6477 Ų7734%0.33542%0.416SS..G310 helixtrans-65.6-24.5176-74.7157.7000112.6C424 Q425 S426C424-L428 HydrophobicContact CB-CD1 3.89Å; Q425-L428 WeakPolarHBondContact O-CB 3.2Å; Q425-L428 PolarHBondContact O-N 2.85Å; S426-L428 VanDerWaalsContact C-N 3.3Å; S426-L428 PolarHBondContact O-N 3.3Å
429F50.4Low44.5Very low51 Ų5183.1 Ų83.122%0.22445%0.449CS..THydrogen-bonded Turntrans-102.1-10.1-177.4-77.1-97.2000113.7I400 L407 L409 C424 S426 S427 L431I400-F429 HydrophobicContact CD1-CE2 4.29Å; I400-F429 HydrophobicContact CD1-CZ 3.77Å; I400-F429 HydrophobicContact CG1-CE2 4.29Å; I400-F429 HydrophobicContact CG1-CZ 3.86Å; L407-F429 HydrophobicContact CD1-CE1 3.81Å; L407-F429 HydrophobicContact CD1-CZ 4.02Å; L407-F429 HydrophobicContact CD2-CE1 4.1Å; L407-F429 HydrophobicContact CD2-CZ 4.43Å; L409-F429 HydrophobicContact CD1-CE2 3.87Å; L409-F429 HydrophobicContact CD1-CZ 3.78Å; C424-F429 WeakPolarHBondContact SG-CE2 3.49Å; S426-F429 PolarHBondContact O-N 3.43Å; S426-F429 VanDerWaalsContact O-N 3.12Å; S427-F429 PolarHBondContact O-N 3.45Å; F429-L431 HydrophobicContact CB-CD1 4.31Å; F429-L431 HydrophobicContact CB-CG 4.38Å; F429-L431 PolarHBondContact O-N 2.95Å; F429-L431 VanDerWaalsContact O-N 3.16Å
430G36.7Very low43.3Very low33 Ų3388.4 Ų88.434%0.3446%0.461SS..THydrogen-bonded Turntrans66.510.5178.900000115.1S426 S427S426-G430 PolarHBondContact O-N 2.71Å; S427-G430 PolarHBondContact O-N 3.09Å
431L31.8Very low42.2Very low137 Ų13792.3 Ų92.372%0.71747%0.471SS*.  trans-87.6-0.4-173.8-70.7173.8000114.3F429F429-L431 HydrophobicContact CB-CD1 4.31Å; F429-L431 HydrophobicContact CB-CG 4.38Å; F429-L431 PolarHBondContact O-N 2.95Å; F429-L431 VanDerWaalsContact O-N 3.16Å
432T30.4Very low41.8Very low63 Ų6393.8 Ų93.839%0.38747%0.472SS..SBendtrans-117.5133.2171.552.30000109.5S426S426-T432 PolarHBondContact OG-OG1 3.13Å
433Y32.4Very low40.8Very low210 Ų21093.9 Ų93.982%0.82448%0.48SS*.  trans72.980-166.9-53.7-76.8000114.6N435Y433-N435 PolarHBondContact O-N 3.32Å
434L26.8Very low40.3Very low161 Ų16190.3 Ų90.384%0.84346%0.464SS*.  trans-68.173.9154.1-76.7168.1000109.7
435N30.4Very low40.3Very low93 Ų9393.9 Ų93.950%0.49748%0.482SS..  trans-83138155.6-169.717.8000108.1Y433 D437 A438Y433-N435 PolarHBondContact O-N 3.32Å; N435-D437 PolarHBondContact O-N 3.06Å; N435-A438 HydrophobicContact CB-CB 4.34Å; N435-A438 WeakPolarHBondContact O-CB 3.22Å; N435-A438 PolarHBondContact O-N 3.18Å
436E32.1Very low40.3Very low135 Ų13590 Ų9063%0.63147%0.467SS*.THydrogen-bonded Turntrans-60.5-38-177.2-76.7-86.576.400111.3A438 R441E436-A438 VanDerWaalsContact C-N 3.35Å; E436-A438 PolarHBondContact O-N 2.95Å; E436-R441 PolarHBondContact O-NH1 3.35Å; E436-R441 IonicContact OE1-CZ 3.22Å; E436-R441 IonicContact OE1-NH1 2.69Å; E436-R441 PolarHBondContact OE1-NH1 3.02Å; E436-R441 IonicContact OE1-NH2 3.65Å; E436-R441 PolarHBondContact OE1-NH2 2.98Å
437D37.6Very low40.5Very low137 Ų13793.7 Ų93.773%0.73348%0.479SS*.THydrogen-bonded Turntrans-85.73.5-175-48.2-60.1000114.5N435 L439N435-D437 PolarHBondContact O-N 3.06Å; D437-L439 PolarHBondContact O-N 2.91Å; D437-L439 VanDerWaalsContact O-N 3.14Å
438A34.6Very low41.4Very low30 Ų3093 Ų9325%0.24847%0.469CS..  trans-69.8112.6-175.300000112.3N435 E436 W440 R441N435-A438 HydrophobicContact CB-CB 4.34Å; N435-A438 WeakPolarHBondContact O-CB 3.22Å; N435-A438 PolarHBondContact O-N 3.18Å; E436-A438 VanDerWaalsContact C-N 3.35Å; E436-A438 PolarHBondContact O-N 2.95Å; A438-W440 PolarHBondContact O-N 3.01Å; A438-R441 PolarHBondContact O-N 3.09Å; A438-R441 VanDerWaalsContact O-N 3.14Å
439L34.8Very low42.4Very low155 Ų15593.2 Ų93.281%0.81248%0.475SS*.THydrogen-bonded Turntrans-48.6-21.6172.8-77.7161000114.4D437D437-L439 PolarHBondContact O-N 2.91Å; D437-L439 VanDerWaalsContact O-N 3.14Å
440W36.4Very low43.2Very low167 Ų16794 Ų9463%0.63348%0.477SS*.THydrogen-bonded Turntrans-88.78.5-176-52.8109.3000115.2A438 H442A438-W440 PolarHBondContact O-N 3.01Å; W440-H442 PolarHBondContact O-N 2.98Å
441R29.9Very low44.8Very low123 Ų12398.6 Ų98.646%0.46449%0.489SS..  trans-598.9175.8-92.2-179152.5178.7-9.2116.3E436 A438E436-R441 PolarHBondContact O-NH1 3.35Å; E436-R441 IonicContact OE1-CZ 3.22Å; E436-R441 IonicContact OE1-NH1 2.69Å; E436-R441 PolarHBondContact OE1-NH1 3.02Å; E436-R441 IonicContact OE1-NH2 3.65Å; E436-R441 PolarHBondContact OE1-NH2 2.98Å; A438-R441 PolarHBondContact O-N 3.09Å; A438-R441 VanDerWaalsContact O-N 3.14Å
442H41.9Very low46.8Very low52 Ų5294.9 Ų94.924%0.24147%0.472CS..SBendtrans-131.4111.8-175.1-65.9-59.8000110.4W440 T446 R447 R590W440-H442 PolarHBondContact O-N 2.98Å; H442-T446 VanDerWaalsContact C-OG1 3.28Å; H442-T446 VanDerWaalsContact CA-OG1 3.25Å; H442-T446 WeakPolarHBondContact CA-OG1 3.37Å; H442-T446 VanDerWaalsContact CB-OG1 3.29Å; H442-T446 WeakPolarHBondContact CB-OG1 3.44Å; H442-R447 PolarHBondContact O-NE 3.31Å; H442-R590 PolarHBondContact CD2-NH2 3.32Å; H442-R590 VanDerWaalsContact CD2-NH2 3.3Å; H442-R590 PolarHBondContact NE2-NH1 3.04Å; H442-R590 PolarHBondContact NE2-NH2 3.38Å
443G46.4Very low49Very low37 Ų3792 Ų9238%0.38145%0.454SS..  trans-62.6170.817100000112.4L445 T446 R447G443-L445 PolarHBondContact O-N 2.83Å; G443-T446 PolarHBondContact N-OG1 3.44Å; G443-T446 WeakPolarHBondContact O-CA 3.47Å; G443-T446 PolarHBondContact O-N 2.92Å; G443-T446 PolarHBondContact O-OG1 3.47Å; G443-R447 PolarHBondContact O-N 3.05Å
444P54.6Low51Low36 Ų3683.7 Ų83.723%0.23442%0.424CS..G310 helixtrans-54.7-44.3-164.817.2-30.5000114.3L408 L409 T446 R447L408-P444 VanDerWaalsContact O-CB 3.23Å; L408-P444 WeakPolarHBondContact O-CB 3.33Å; L408-P444 WeakPolarHBondContact O-CG 3.33Å; L409-P444 HydrophobicContact CD2-CB 4.37Å; L409-P444 HydrophobicContact CD2-CG 4.18Å; P444-T446 VanDerWaalsContact C-N 3.3Å; P444-T446 PolarHBondContact O-N 3Å; P444-R447 WeakPolarHBondContact O-CB 3.25Å; P444-R447 PolarHBondContact O-N 2.64Å
445L60.9Low53.6Low85 Ų8581.5 Ų81.545%0.44541%0.409SS..G310 helixtrans-58.5-40.3176-68.9171.6000112.4G443 R447 L448 L453 F475G443-L445 PolarHBondContact O-N 2.83Å; L445-R447 PolarHBondContact O-N 3.22Å; L445-L448 HydrophobicContact CD2-CD1 3.98Å; L445-L448 WeakPolarHBondContact O-CB 3.37Å; L445-L448 PolarHBondContact O-N 3.48Å; L445-L448 VanDerWaalsContact O-N 3.08Å; L445-L453 HydrophobicContact CB-CD2 4.43Å; L445-F475 HydrophobicContact CD1-CZ 4.04Å
446T53Low56.2Low39 Ų3980.3 Ų80.324%0.23940%0.402CS..G310 helixtrans-789.1177.648.80000114.4H442 G443 P444H442-T446 VanDerWaalsContact C-OG1 3.28Å; H442-T446 VanDerWaalsContact CA-OG1 3.25Å; H442-T446 WeakPolarHBondContact CA-OG1 3.37Å; H442-T446 VanDerWaalsContact CB-OG1 3.29Å; H442-T446 WeakPolarHBondContact CB-OG1 3.44Å; G443-T446 PolarHBondContact N-OG1 3.44Å; G443-T446 WeakPolarHBondContact O-CA 3.47Å; G443-T446 PolarHBondContact O-N 2.92Å; G443-T446 PolarHBondContact O-OG1 3.47Å; P444-T446 VanDerWaalsContact C-N 3.3Å; P444-T446 PolarHBondContact O-N 3Å
447R53.6Low58.7Low89 Ų8974.3 Ų74.334%0.33637%0.374SS..G310 helixtrans-102.1-8.9163.9-54.3-174.4-168.3170.54.1113.1H442 G443 P444 L445H442-R447 PolarHBondContact O-NE 3.31Å; G443-R447 PolarHBondContact O-N 3.05Å; P444-R447 WeakPolarHBondContact O-CB 3.25Å; P444-R447 PolarHBondContact O-N 2.64Å; L445-R447 PolarHBondContact O-N 3.22Å
448L64.5Low60.9Low55 Ų5571 Ų7129%0.28836%0.362SS..SBendtrans-74.8146.9176.4-60.2176.8000110L445 V452 L453 I456L445-L448 HydrophobicContact CD2-CD1 3.98Å; L445-L448 WeakPolarHBondContact O-CB 3.37Å; L445-L448 PolarHBondContact O-N 3.48Å; L445-L448 VanDerWaalsContact O-N 3.08Å; L448-V452 HydrophobicContact CB-CB 4.41Å; L448-V452 HydrophobicContact CB-CG1 4.28Å; L448-V452 HydrophobicContact CD1-CG1 4.22Å; L448-V452 HydrophobicContact CD2-CG1 4.47Å; L448-L453 HydrophobicContact CB-CD1 4.43Å; L448-L453 HydrophobicContact CB-CD2 4.19Å; L448-L453 HydrophobicContact CB-CG 3.98Å; L448-L453 HydrophobicContact CD1-CD2 4.04Å; L448-I456 HydrophobicContact CD1-CD1 3.73Å
449P70.9Confident63.3Low70 Ų7077 Ų7746%0.45538%0.382SS..  trans-56.2156169.5-22.533000112.2E451 V452 L453P449-E451 VanDerWaalsContact C-N 3.26Å; P449-E451 WeakPolarHBondContact CB-OE2 3.49Å; P449-E451 PolarHBondContact O-N 3.27Å; P449-V452 HydrophobicContact CB-CB 4.49Å; P449-V452 HydrophobicContact CB-CG2 4.09Å; P449-V452 HydrophobicContact CG-CG2 4.04Å; P449-V452 PolarHBondContact O-N 3.09Å; P449-L453 PolarHBondContact O-N 3.06Å; P449-L453 VanDerWaalsContact O-N 3.09Å
450Y68Low65.7Low67 Ų6772 Ų7226%0.26336%0.356SS..Hα-helixtrans-64.8-37-175.3-164.3-109.1000111.4V452 L453 L454 L478 D481Y450-V452 VanDerWaalsContact C-N 3.35Å; Y450-V452 PolarHBondContact O-N 3.12Å; Y450-L453 WeakPolarHBondContact O-CB 3.22Å; Y450-L453 PolarHBondContact O-N 3.23Å; Y450-L453 VanDerWaalsContact O-N 3.16Å; Y450-L454 HydrophobicContact CD1-CD1 3.76Å; Y450-L454 HydrophobicContact CD1-CG 4.09Å; Y450-L454 HydrophobicContact CE1-CD1 3.78Å; Y450-L454 HydrophobicContact CE1-CD2 4.19Å; Y450-L454 HydrophobicContact CE1-CG 4.03Å; Y450-L454 WeakPolarHBondContact O-CG 3.38Å; Y450-L454 PolarHBondContact O-N 3.24Å; Y450-L478 HydrophobicContact CD2-CD2 3.75Å; Y450-L478 HydrophobicContact CD2-CG 4.42Å; Y450-L478 HydrophobicContact CE1-CD2 4.25Å; Y450-L478 HydrophobicContact CE2-CD2 3.36Å; Y450-L478 HydrophobicContact CE2-CG 3.72Å; Y450-L478 HydrophobicContact CG-CD2 4.33Å; Y450-D481 VanDerWaalsContact CE1-OD2 3.32Å; Y450-D481 WeakPolarHBondContact CE1-OD2 3.38Å; Y450-D481 PolarHBondContact OH-OD2 2.71Å
451E69.7Low67.9Low129 Ų12966.3 Ų66.360%0.60335%0.35SS*.Hα-helixtrans-62.5-41.4177.8-49.571.5-155.300110.7P449 L454 H455P449-E451 VanDerWaalsContact C-N 3.26Å; P449-E451 WeakPolarHBondContact CB-OE2 3.49Å; P449-E451 PolarHBondContact O-N 3.27Å; E451-L454 PolarHBondContact O-N 3.41Å; E451-H455 WeakPolarHBondContact O-CB 3.42Å; E451-H455 PolarHBondContact O-N 3.23Å
452V74Confident70.4Confident59 Ų5961.4 Ų61.436%0.35833%0.332SS..Hα-helixtrans-68.6-37.4175.5178.30000110.7L448 P449 Y450 H455 I456L448-V452 HydrophobicContact CB-CB 4.41Å; L448-V452 HydrophobicContact CB-CG1 4.28Å; L448-V452 HydrophobicContact CD1-CG1 4.22Å; L448-V452 HydrophobicContact CD2-CG1 4.47Å; P449-V452 HydrophobicContact CB-CB 4.49Å; P449-V452 HydrophobicContact CB-CG2 4.09Å; P449-V452 HydrophobicContact CG-CG2 4.04Å; P449-V452 PolarHBondContact O-N 3.09Å; Y450-V452 VanDerWaalsContact C-N 3.35Å; Y450-V452 PolarHBondContact O-N 3.12Å; V452-H455 PolarHBondContact O-N 2.86Å; V452-I456 HydrophobicContact CG1-CD1 4.03Å; V452-I456 WeakPolarHBondContact O-CD1 3.23Å; V452-I456 VanDerWaalsContact O-CG1 3.24Å; V452-I456 WeakPolarHBondContact O-CG1 3.24Å; V452-I456 PolarHBondContact O-N 3.33Å
453L76Confident72.3Confident2 Ų265.7 Ų65.71%0.0135%0.347CS..Hα-helixtrans-69.5-40.4175.6-70.7168.2000112.3L445 L448 P449 Y450 I456 F457 L478L445-L453 HydrophobicContact CB-CD2 4.43Å; L448-L453 HydrophobicContact CB-CD1 4.43Å; L448-L453 HydrophobicContact CB-CD2 4.19Å; L448-L453 HydrophobicContact CB-CG 3.98Å; L448-L453 HydrophobicContact CD1-CD2 4.04Å; P449-L453 PolarHBondContact O-N 3.06Å; P449-L453 VanDerWaalsContact O-N 3.09Å; Y450-L453 WeakPolarHBondContact O-CB 3.22Å; Y450-L453 PolarHBondContact O-N 3.23Å; Y450-L453 VanDerWaalsContact O-N 3.16Å; L453-I456 PolarHBondContact O-N 2.85Å; L453-F457 WeakPolarHBondContact O-CB 3.13Å; L453-F457 WeakPolarHBondContact O-CD2 3.33Å; L453-F457 WeakPolarHBondContact O-CG 3.16Å; L453-F457 PolarHBondContact O-N 3.35Å; L453-L478 HydrophobicContact CB-CD1 3.84Å; L453-L478 HydrophobicContact CB-CD2 3.6Å; L453-L478 HydrophobicContact CB-CG 4.4Å; L453-L478 HydrophobicContact CD1-CD1 4.07Å; L453-L478 HydrophobicContact CG-CD1 4.42Å
454L75.9Confident74.2Confident37 Ų3766.2 Ų66.219%0.19434%0.344CS..Hα-helixtrans-61.7-44171.3-70.6175.3000111.3Y450 E451 F457 S458 L478 D481Y450-L454 HydrophobicContact CD1-CD1 3.76Å; Y450-L454 HydrophobicContact CD1-CG 4.09Å; Y450-L454 HydrophobicContact CE1-CD1 3.78Å; Y450-L454 HydrophobicContact CE1-CD2 4.19Å; Y450-L454 HydrophobicContact CE1-CG 4.03Å; Y450-L454 WeakPolarHBondContact O-CG 3.38Å; Y450-L454 PolarHBondContact O-N 3.24Å; E451-L454 PolarHBondContact O-N 3.41Å; L454-F457 CarbonylContact O-C 3.48Å; L454-F457 PolarHBondContact O-N 2.88Å; L454-F457 VanDerWaalsContact O-N 3.15Å; L454-S458 PolarHBondContact O-N 2.94Å; L454-L478 HydrophobicContact CD2-CD2 3.77Å; L454-L478 HydrophobicContact CG-CD2 3.96Å; L454-D481 HydrophobicContact CD2-CB 3.69Å
455H80.3Confident75.7Confident114 Ų11464.5 Ų64.553%0.52833%0.333SS..Hα-helixtrans-61.6-46.1176.6-174.149.6000111.7E451 V452 F457 S458 F459E451-H455 WeakPolarHBondContact O-CB 3.42Å; E451-H455 PolarHBondContact O-N 3.23Å; V452-H455 PolarHBondContact O-N 2.86Å; H455-F457 VanDerWaalsContact C-N 3.28Å; H455-F457 PolarHBondContact O-N 2.84Å; H455-S458 WeakPolarHBondContact O-CB 3.29Å; H455-S458 PolarHBondContact O-N 2.79Å; H455-S458 PolarHBondContact O-OG 3.17Å; H455-F459 AromaticContact CE1-CE2 3.5Å; H455-F459 AromaticContact CE1-CZ 3.7Å; H455-F459 AromaticContact ND1-CE2 3.91Å; H455-F459 AromaticContact NE2-CE2 3.66Å; H455-F459 WeakPolarHBondContact O-CD2 3.11Å
456I85.1Confident76.7Confident69 Ų6964 Ų6435%0.35433%0.331SS..Hα-helixtrans-57.4-41.6172.8-70.3163.6000111.5L448 V452 L453 S458 F459L448-I456 HydrophobicContact CD1-CD1 3.73Å; V452-I456 HydrophobicContact CG1-CD1 4.03Å; V452-I456 WeakPolarHBondContact O-CD1 3.23Å; V452-I456 VanDerWaalsContact O-CG1 3.24Å; V452-I456 WeakPolarHBondContact O-CG1 3.24Å; V452-I456 PolarHBondContact O-N 3.33Å; L453-I456 PolarHBondContact O-N 2.85Å; I456-S458 VanDerWaalsContact C-N 3.34Å; I456-F459 PolarHBondContact O-N 2.66Å
457F85.8Confident78.3Confident8 Ų868.9 Ų68.94%0.03535%0.345CS..Hα-helixtrans-73.2-25.9-178.2-80.4-140000112.1L453 L454 H455 F459 L460 L465 C468 F475 L478 V479 T482L453-F457 WeakPolarHBondContact O-CB 3.13Å; L453-F457 WeakPolarHBondContact O-CD2 3.33Å; L453-F457 WeakPolarHBondContact O-CG 3.16Å; L453-F457 PolarHBondContact O-N 3.35Å; L454-F457 CarbonylContact O-C 3.48Å; L454-F457 PolarHBondContact O-N 2.88Å; L454-F457 VanDerWaalsContact O-N 3.15Å; H455-F457 VanDerWaalsContact C-N 3.28Å; H455-F457 PolarHBondContact O-N 2.84Å; F457-F459 PolarHBondContact O-N 3.15Å; F457-L460 HydrophobicContact CB-CD1 4.48Å; F457-L460 HydrophobicContact CD2-CD1 4.26Å; F457-L460 HydrophobicContact CG-CD1 4.2Å; F457-L460 WeakPolarHBondContact O-CB 3.35Å; F457-L460 PolarHBondContact O-N 3.01Å; F457-L465 HydrophobicContact CB-CD2 3.98Å; F457-L465 HydrophobicContact CD1-CD2 3.88Å; F457-L465 HydrophobicContact CG-CD2 4.25Å; F457-C468 HydrophobicContact CE1-CB 4.05Å; F457-C468 HydrophobicContact CZ-CB 4.45Å; F457-F475 HydrophobicContact CE1-CB 4.3Å; F457-F475 HydrophobicContact CE1-CD2 4.41Å; F457-F475 HydrophobicContact CE1-CG 4.3Å; F457-F475 HydrophobicContact CZ-CB 4.27Å; F457-F475 HydrophobicContact CZ-CD1 4.06Å; F457-F475 AromaticContact CZ-CD2 3.73Å; F457-F475 HydrophobicContact CZ-CD2 3.73Å; F457-F475 HydrophobicContact CZ-CE1 4.31Å; F457-F475 AromaticContact CZ-CE2 4Å; F457-F475 HydrophobicContact CZ-CE2 4Å; F457-F475 AromaticContact CZ-CG 3.77Å; F457-F475 HydrophobicContact CZ-CG 3.77Å; F457-F475 HydrophobicContact CZ-CZ 4.28Å; F457-L478 HydrophobicContact CD1-CB 3.74Å; F457-L478 HydrophobicContact CE1-CB 3.58Å; F457-L478 HydrophobicContact CE1-CD1 4.23Å; F457-L478 HydrophobicContact CE2-CD1 4.39Å; F457-L478 HydrophobicContact CG-CB 4.47Å; F457-L478 HydrophobicContact CZ-CB 4.2Å; F457-L478 HydrophobicContact CZ-CD1 3.99Å; F457-V479 HydrophobicContact CD1-CG2 3.93Å; F457-V479 HydrophobicContact CE1-CG2 3.88Å; F457-T482 HydrophobicContact CB-CG2 4.11Å; F457-T482 VanDerWaalsContact CB-OG1 3.29Å; F457-T482 WeakPolarHBondContact CB-OG1 3.27Å
458S82.1Confident79.8Confident69 Ų6965.7 Ų65.748%0.48334%0.336SS..Hα-helixtrans-62.4-22.5175.274.10000114.2L454 H455 I456 L460L454-S458 PolarHBondContact O-N 2.94Å; H455-S458 WeakPolarHBondContact O-CB 3.29Å; H455-S458 PolarHBondContact O-N 2.79Å; H455-S458 PolarHBondContact O-OG 3.17Å; I456-S458 VanDerWaalsContact C-N 3.34Å; S458-L460 VanDerWaalsContact C-N 3.34Å
459F86Confident80.5Confident154 Ų15463.8 Ų63.868%0.67533%0.328SS*.THydrogen-bonded Turntrans-84-2.7172.4-63.5-77.1000114H455 I456 F457H455-F459 AromaticContact CE1-CE2 3.5Å; H455-F459 AromaticContact CE1-CZ 3.7Å; H455-F459 AromaticContact ND1-CE2 3.91Å; H455-F459 AromaticContact NE2-CE2 3.66Å; H455-F459 WeakPolarHBondContact O-CD2 3.11Å; I456-F459 PolarHBondContact O-N 2.66Å; F457-F459 PolarHBondContact O-N 3.15Å
460L85.3Confident80.9Confident51 Ų5163.8 Ų63.827%0.26733%0.329SS..SBendtrans-94.8118.9-177.7-59.3178.9000111.1F457 S458 L465F457-L460 HydrophobicContact CB-CD1 4.48Å; F457-L460 HydrophobicContact CD2-CD1 4.26Å; F457-L460 HydrophobicContact CG-CD1 4.2Å; F457-L460 WeakPolarHBondContact O-CB 3.35Å; F457-L460 PolarHBondContact O-N 3.01Å; S458-L460 VanDerWaalsContact C-N 3.34Å; L460-L465 HydrophobicContact CB-CD2 3.89Å; L460-L465 HydrophobicContact CB-CG 3.86Å; L460-L465 HydrophobicContact CD1-CD2 4.17Å; L460-L465 VanDerWaalsContact O-CD1 3.28Å; L460-L465 WeakPolarHBondContact O-CD1 3.42Å; L460-L465 WeakPolarHBondContact O-CG 3.35Å
461G81.8Confident81.4Confident48 Ų4865.3 Ų65.350%0.49535%0.345SS..  trans-59.5155.9171.200000112.8R463 S464 L465G461-R463 VanDerWaalsContact C-N 3.28Å; G461-R463 PolarHBondContact O-N 3.33Å; G461-R463 VanDerWaalsContact O-N 3.08Å; G461-S464 WeakPolarHBondContact O-CA 3.32Å; G461-S464 WeakPolarHBondContact O-CB 3.25Å; G461-S464 PolarHBondContact O-N 2.97Å; G461-L465 PolarHBondContact O-N 3.45Å; G461-L465 VanDerWaalsContact O-N 3.09Å
462L82.7Confident81.5Confident19 Ų1961.3 Ų61.310%0.09933%0.331CS..Hα-helixtrans-48.3-43.4-170.7-177.464.8000114.1S464 L465 L466 L483 I489 L491 F494L462-S464 VanDerWaalsContact C-N 3.29Å; L462-S464 PolarHBondContact O-N 2.99Å; L462-L465 PolarHBondContact O-N 3.34Å; L462-L466 HydrophobicContact CD1-CD1 4.36Å; L462-L466 HydrophobicContact CD1-CG 4.43Å; L462-L466 HydrophobicContact CG-CD1 4.15Å; L462-L466 VanDerWaalsContact O-CG 3.32Å; L462-L466 WeakPolarHBondContact O-CG 3.26Å; L462-L466 PolarHBondContact O-N 3.42Å; L462-L483 HydrophobicContact CD1-CD2 3.72Å; L462-I489 HydrophobicContact CD1-CD1 4.47Å; L462-I489 HydrophobicContact CD2-CD1 4.17Å; L462-L491 HydrophobicContact CD2-CD2 3.7Å; L462-F494 HydrophobicContact CB-CE2 4.26Å; L462-F494 HydrophobicContact CB-CZ 3.97Å; L462-F494 HydrophobicContact CD2-CE2 4.06Å; L462-F494 HydrophobicContact CD2-CZ 4.06Å; L462-F494 HydrophobicContact CG-CZ 4.26Å
463R81.5Confident81.2Confident142 Ų14261.8 Ų61.854%0.53633%0.327SS..Hα-helixtrans-62.3-34.1178.4-163.5178.6-169.8-167.35.2112.7G461 R467 F494G461-R463 VanDerWaalsContact C-N 3.28Å; G461-R463 PolarHBondContact O-N 3.33Å; G461-R463 VanDerWaalsContact O-N 3.08Å; R463-R467 WeakPolarHBondContact O-CG 3.31Å; R463-R467 PolarHBondContact O-N 2.89Å; R463-F494 HydrophobicContact CB-CE1 4.09Å; R463-F494 HydrophobicContact CB-CZ 4.01Å
464S86.6Confident80.7Confident48 Ų4864.9 Ų64.934%0.33634%0.341SS..Hα-helixtrans-77.5-41177-650000111.6G461 L462 L466 R467 C468G461-S464 WeakPolarHBondContact O-CA 3.32Å; G461-S464 WeakPolarHBondContact O-CB 3.25Å; G461-S464 PolarHBondContact O-N 2.97Å; L462-S464 VanDerWaalsContact C-N 3.29Å; L462-S464 PolarHBondContact O-N 2.99Å; S464-L466 PolarHBondContact O-N 3.01Å; S464-R467 WeakPolarHBondContact O-CB 3.38Å; S464-R467 PolarHBondContact O-N 3.16Å; S464-R467 VanDerWaalsContact O-N 3.14Å; S464-C468 PolarHBondContact O-N 3.05Å; S464-C468 PolarHBondContact O-SG 3.48Å; S464-C468 VanDerWaalsContact O-SG 3.33Å
465L86Confident80.9Confident0 Ų064.4 Ų64.40%034%0.337CS..Hα-helixtrans-59.6-43.6173-73.4172.4000112.2F457 L460 G461 L462 R467 C468 A469 V479 T482 M486F457-L465 HydrophobicContact CB-CD2 3.98Å; F457-L465 HydrophobicContact CD1-CD2 3.88Å; F457-L465 HydrophobicContact CG-CD2 4.25Å; L460-L465 HydrophobicContact CB-CD2 3.89Å; L460-L465 HydrophobicContact CB-CG 3.86Å; L460-L465 HydrophobicContact CD1-CD2 4.17Å; L460-L465 VanDerWaalsContact O-CD1 3.28Å; L460-L465 WeakPolarHBondContact O-CD1 3.42Å; L460-L465 WeakPolarHBondContact O-CG 3.35Å; G461-L465 PolarHBondContact O-N 3.45Å; G461-L465 VanDerWaalsContact O-N 3.09Å; L462-L465 PolarHBondContact O-N 3.34Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 2.89Å; L465-C468 WeakPolarHBondContact O-CB 3.33Å; L465-C468 PolarHBondContact O-N 2.66Å; L465-C468 VanDerWaalsContact O-N 3.08Å; L465-A469 PolarHBondContact O-N 3.2Å; L465-V479 HydrophobicContact CB-CG1 4.08Å; L465-V479 HydrophobicContact CB-CG2 4.23Å; L465-V479 HydrophobicContact CD2-CG2 3.94Å; L465-V479 WeakPolarHBondContact O-CG2 3.48Å; L465-T482 HydrophobicContact CD1-CG2 3.87Å; L465-T482 HydrophobicContact CD2-CG2 4.02Å; L465-M486 HydrophobicContact CD1-CE 3.47Å; L465-M486 VanDerWaalsContact CD1-CE 3.47Å; L465-M486 HydrophobicContact CD1-SD 4.39Å
466L82.4Confident80.7Confident76 Ų7665.1 Ų65.140%0.39834%0.335SS..Hα-helixtrans-62.9-33.6176.2-68.2171.8000112.4L462 S464L462-L466 HydrophobicContact CD1-CD1 4.36Å; L462-L466 HydrophobicContact CD1-CG 4.43Å; L462-L466 HydrophobicContact CG-CD1 4.15Å; L462-L466 VanDerWaalsContact O-CG 3.32Å; L462-L466 WeakPolarHBondContact O-CG 3.26Å; L462-L466 PolarHBondContact O-N 3.42Å; S464-L466 PolarHBondContact O-N 3.01Å
467R86Confident80.2Confident140 Ų14064.9 Ų64.953%0.52834%0.34SS..Hα-helixtrans-67.1-44.7169.1-71167.5172177.5-3.6111.5R463 S464 L465 A469 C470R463-R467 WeakPolarHBondContact O-CG 3.31Å; R463-R467 PolarHBondContact O-N 2.89Å; S464-R467 WeakPolarHBondContact O-CB 3.38Å; S464-R467 PolarHBondContact O-N 3.16Å; S464-R467 VanDerWaalsContact O-N 3.14Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 2.89Å; R467-A469 VanDerWaalsContact C-N 3.3Å; R467-A469 PolarHBondContact O-N 3.34Å; R467-C470 WeakPolarHBondContact O-CB 3.38Å; R467-C470 PolarHBondContact O-N 3.23Å
468C86.1Confident79.9Confident22 Ų2264.5 Ų64.515%0.14934%0.338CS..Hα-helixtrans-58.8-37.6177.1-70.10000112.7F457 S464 L465 C470 V471 F475 V479F457-C468 HydrophobicContact CE1-CB 4.05Å; F457-C468 HydrophobicContact CZ-CB 4.45Å; S464-C468 PolarHBondContact O-N 3.05Å; S464-C468 PolarHBondContact O-SG 3.48Å; S464-C468 VanDerWaalsContact O-SG 3.33Å; L465-C468 WeakPolarHBondContact O-CB 3.33Å; L465-C468 PolarHBondContact O-N 2.66Å; L465-C468 VanDerWaalsContact O-N 3.08Å; C468-C470 PolarHBondContact O-N 3.17Å; C468-V471 WeakPolarHBondContact O-CB 3.41Å; C468-V471 PolarHBondContact O-N 3.43Å; C468-F475 HydrophobicContact CB-CD2 4.26Å; C468-F475 VanDerWaalsContact O-CB 3.23Å; C468-F475 WeakPolarHBondContact O-CB 3.46Å; C468-V479 HydrophobicContact CB-CG2 3.86Å
469A78.7Confident80Confident15 Ų1561.5 Ų61.512%0.12432%0.316CS..Hα-helixtrans-63.5-11.3176.100000114.7L465 R467 R476 V479L465-A469 PolarHBondContact O-N 3.2Å; R467-A469 VanDerWaalsContact C-N 3.3Å; R467-A469 PolarHBondContact O-N 3.34Å; A469-R476 HydrophobicContact CB-CB 4.49Å; A469-R476 HydrophobicContact CB-CG 4.33Å; A469-R476 PolarHBondContact O-NE 2.76Å; A469-R476 PolarHBondContact O-NH2 3.2Å; A469-R476 VanDerWaalsContact O-NH2 3.1Å; A469-V479 HydrophobicContact CB-CB 4.15Å; A469-V479 HydrophobicContact CB-CG1 4.05Å; A469-V479 HydrophobicContact CB-CG2 4.18Å
470C78.8Confident79.6Confident71 Ų7158.8 Ų58.848%0.4830%0.304SS..Hα-helixtrans-92-22.7172.3-590000113.2L337 R467 C468L337-C470 HydrophobicContact CD1-CB 4.04Å; L337-C470 WeakPolarHBondContact CD1-O 3.31Å; R467-C470 WeakPolarHBondContact O-CB 3.38Å; R467-C470 PolarHBondContact O-N 3.23Å; C468-C470 PolarHBondContact O-N 3.17Å
471V79.3Confident79.3Confident99 Ų9957.8 Ų57.860%0.630%0.299SS*.Hα-helixtrans-68.5-46.2-173.3177.40000112.4C468 F475C468-V471 WeakPolarHBondContact O-CB 3.41Å; C468-V471 PolarHBondContact O-N 3.43Å; V471-F475 HydrophobicContact CB-CD2 3.7Å; V471-F475 HydrophobicContact CB-CE2 4.27Å; V471-F475 HydrophobicContact CB-CG 4.36Å; V471-F475 HydrophobicContact CG1-CD2 3.83Å; V471-F475 HydrophobicContact CG1-CE2 3.94Å; V471-F475 HydrophobicContact CG1-CG 4.5Å; V471-F475 HydrophobicContact CG2-CD2 4.23Å
472S71.5Confident79.3Confident44 Ų4455.8 Ų55.831%0.30828%0.278SS..  trans-157.3166.1179.376.60000112.4Q474 F475 R476S472-Q474 VanDerWaalsContact C-N 3.34Å; S472-Q474 PolarHBondContact OG-N 3.17Å; S472-F475 PolarHBondContact O-N 2.7Å; S472-F475 WeakPolarHBondContact OG-CB 3.45Å; S472-F475 WeakPolarHBondContact OG-CD1 3.44Å; S472-F475 WeakPolarHBondContact OG-CG 3.3Å; S472-F475 PolarHBondContact OG-N 3.06Å; S472-R476 PolarHBondContact O-N 2.73Å
473R66.5Low79.4Confident69 Ų6955.1 Ų55.126%0.2627%0.274SS..Hα-helixtrans-61.7-40.6173-73.2174.5161.7-146.5-13.4112.4R476 C477 R579 Y583R473-R476 WeakPolarHBondContact O-CB 3.46Å; R473-R476 PolarHBondContact O-N 2.83Å; R473-C477 PolarHBondContact O-N 2.89Å; R473-C477 VanDerWaalsContact O-N 3.13Å; R473-C477 PolarHBondContact O-SG 3.26Å; R473-R579 PolarHBondContact NH1-O 3.33Å; R473-Y583 HydrophobicContact CB-CE1 4.39Å
474Q67.1Low79.2Confident68 Ų6848.6 Ų48.632%0.31825%0.251SS..Hα-helixtrans-64.9-42.1176.4-177.2174.7-5.900111.3S472 R476 C477 L478S472-Q474 VanDerWaalsContact C-N 3.34Å; S472-Q474 PolarHBondContact OG-N 3.17Å; Q474-R476 VanDerWaalsContact C-N 3.28Å; Q474-R476 PolarHBondContact O-N 2.57Å; Q474-C477 PolarHBondContact O-N 3.01Å; Q474-L478 HydrophobicContact CG-CD1 4.23Å; Q474-L478 WeakPolarHBondContact O-CG 3.43Å; Q474-L478 PolarHBondContact O-N 3.31Å
475F80Confident78.7Confident26 Ų2648.8 Ų48.811%0.11425%0.248CC..Hα-helixtrans-66.6-31.3176.1-78.428.3000111.8L445 F457 C468 V471 S472 L478 V479L445-F475 HydrophobicContact CD1-CZ 4.04Å; F457-F475 HydrophobicContact CE1-CB 4.3Å; F457-F475 HydrophobicContact CE1-CD2 4.41Å; F457-F475 HydrophobicContact CE1-CG 4.3Å; F457-F475 HydrophobicContact CZ-CB 4.27Å; F457-F475 HydrophobicContact CZ-CD1 4.06Å; F457-F475 AromaticContact CZ-CD2 3.73Å; F457-F475 HydrophobicContact CZ-CD2 3.73Å; F457-F475 HydrophobicContact CZ-CE1 4.31Å; F457-F475 AromaticContact CZ-CE2 4Å; F457-F475 HydrophobicContact CZ-CE2 4Å; F457-F475 AromaticContact CZ-CG 3.77Å; F457-F475 HydrophobicContact CZ-CG 3.77Å; F457-F475 HydrophobicContact CZ-CZ 4.28Å; C468-F475 HydrophobicContact CB-CD2 4.26Å; C468-F475 VanDerWaalsContact O-CB 3.23Å; C468-F475 WeakPolarHBondContact O-CB 3.46Å; V471-F475 HydrophobicContact CB-CD2 3.7Å; V471-F475 HydrophobicContact CB-CE2 4.27Å; V471-F475 HydrophobicContact CB-CG 4.36Å; V471-F475 HydrophobicContact CG1-CD2 3.83Å; V471-F475 HydrophobicContact CG1-CE2 3.94Å; V471-F475 HydrophobicContact CG1-CG 4.5Å; V471-F475 HydrophobicContact CG2-CD2 4.23Å; S472-F475 PolarHBondContact O-N 2.7Å; S472-F475 WeakPolarHBondContact OG-CB 3.45Å; S472-F475 WeakPolarHBondContact OG-CD1 3.44Å; S472-F475 WeakPolarHBondContact OG-CG 3.3Å; S472-F475 PolarHBondContact OG-N 3.06Å; F475-L478 HydrophobicContact CD1-CD1 4.22Å; F475-L478 PolarHBondContact O-N 2.88Å; F475-V479 WeakPolarHBondContact O-CB 3.49Å; F475-V479 WeakPolarHBondContact O-CG2 3.35Å; F475-V479 PolarHBondContact O-N 3.21Å
476R76.5Confident78.6Confident129 Ų12950.1 Ų50.149%0.48725%0.254SS..Hα-helixtrans-67.5-36.3173.2-171.6175.1-62.1-172-1.2113.1A469 S472 R473 Q474 K480A469-R476 HydrophobicContact CB-CB 4.49Å; A469-R476 HydrophobicContact CB-CG 4.33Å; A469-R476 PolarHBondContact O-NE 2.76Å; A469-R476 PolarHBondContact O-NH2 3.2Å; A469-R476 VanDerWaalsContact O-NH2 3.1Å; S472-R476 PolarHBondContact O-N 2.73Å; R473-R476 WeakPolarHBondContact O-CB 3.46Å; R473-R476 PolarHBondContact O-N 2.83Å; Q474-R476 VanDerWaalsContact C-N 3.28Å; Q474-R476 PolarHBondContact O-N 2.57Å; R476-K480 PolarHBondContact O-N 2.98Å; R476-K480 VanDerWaalsContact O-N 3.14Å
477C74.3Confident78.8Confident65 Ų6550.6 Ų50.644%0.43926%0.261SS..Hα-helixtrans-67.1-51.3171-59.70000110.6R473 Q474 V479 K480 D481R473-C477 PolarHBondContact O-N 2.89Å; R473-C477 VanDerWaalsContact O-N 3.13Å; R473-C477 PolarHBondContact O-SG 3.26Å; Q474-C477 PolarHBondContact O-N 3.01Å; C477-V479 PolarHBondContact O-N 3.25Å; C477-K480 WeakPolarHBondContact O-CA 3.41Å; C477-K480 WeakPolarHBondContact O-CB 3.43Å; C477-K480 PolarHBondContact O-N 2.92Å; C477-D481 PolarHBondContact O-N 3.4Å
478L79Confident79Confident0 Ų047 Ų470%026%0.257CS..Hα-helixtrans-52.8-40.8175.7-75.1162.3000112.5Y450 L453 L454 F457 Q474 F475 T482Y450-L478 HydrophobicContact CD2-CD2 3.75Å; Y450-L478 HydrophobicContact CD2-CG 4.42Å; Y450-L478 HydrophobicContact CE1-CD2 4.25Å; Y450-L478 HydrophobicContact CE2-CD2 3.36Å; Y450-L478 HydrophobicContact CE2-CG 3.72Å; Y450-L478 HydrophobicContact CG-CD2 4.33Å; L453-L478 HydrophobicContact CB-CD1 3.84Å; L453-L478 HydrophobicContact CB-CD2 3.6Å; L453-L478 HydrophobicContact CB-CG 4.4Å; L453-L478 HydrophobicContact CD1-CD1 4.07Å; L453-L478 HydrophobicContact CG-CD1 4.42Å; L454-L478 HydrophobicContact CD2-CD2 3.77Å; L454-L478 HydrophobicContact CG-CD2 3.96Å; F457-L478 HydrophobicContact CD1-CB 3.74Å; F457-L478 HydrophobicContact CE1-CB 3.58Å; F457-L478 HydrophobicContact CE1-CD1 4.23Å; F457-L478 HydrophobicContact CE2-CD1 4.39Å; F457-L478 HydrophobicContact CG-CB 4.47Å; F457-L478 HydrophobicContact CZ-CB 4.2Å; F457-L478 HydrophobicContact CZ-CD1 3.99Å; Q474-L478 HydrophobicContact CG-CD1 4.23Å; Q474-L478 WeakPolarHBondContact O-CG 3.43Å; Q474-L478 PolarHBondContact O-N 3.31Å; F475-L478 HydrophobicContact CD1-CD1 4.22Å; F475-L478 PolarHBondContact O-N 2.88Å; L478-T482 VanDerWaalsContact O-CB 3.25Å; L478-T482 WeakPolarHBondContact O-CB 3.23Å; L478-T482 PolarHBondContact O-N 3.03Å; L478-T482 PolarHBondContact O-OG1 2.86Å
479V83Confident79.1Confident5 Ų546.4 Ų46.43%0.0325%0.252CS..Hα-helixtrans-67.6-40.1175.8168.10000112.5F457 L465 C468 A469 F475 C477 T482 L483F457-V479 HydrophobicContact CD1-CG2 3.93Å; F457-V479 HydrophobicContact CE1-CG2 3.88Å; L465-V479 HydrophobicContact CB-CG1 4.08Å; L465-V479 HydrophobicContact CB-CG2 4.23Å; L465-V479 HydrophobicContact CD2-CG2 3.94Å; L465-V479 WeakPolarHBondContact O-CG2 3.48Å; C468-V479 HydrophobicContact CB-CG2 3.86Å; A469-V479 HydrophobicContact CB-CB 4.15Å; A469-V479 HydrophobicContact CB-CG1 4.05Å; A469-V479 HydrophobicContact CB-CG2 4.18Å; F475-V479 WeakPolarHBondContact O-CB 3.49Å; F475-V479 WeakPolarHBondContact O-CG2 3.35Å; F475-V479 PolarHBondContact O-N 3.21Å; C477-V479 PolarHBondContact O-N 3.25Å; V479-T482 PolarHBondContact O-N 3.46Å; V479-L483 HydrophobicContact CG1-CD1 3.83Å; V479-L483 HydrophobicContact CG1-CG 4.31Å; V479-L483 WeakPolarHBondContact O-CB 3.47Å; V479-L483 WeakPolarHBondContact O-CG 3.42Å; V479-L483 PolarHBondContact O-N 2.91Å
480K79.3Confident79.6Confident97 Ų9748.8 Ų48.842%0.42226%0.263SS..Hα-helixtrans-58.8-51.4173.5-89.8176.3154.4-95.80110.6R476 C477 T482 L483 A484R476-K480 PolarHBondContact O-N 2.98Å; R476-K480 VanDerWaalsContact O-N 3.14Å; C477-K480 WeakPolarHBondContact O-CA 3.41Å; C477-K480 WeakPolarHBondContact O-CB 3.43Å; C477-K480 PolarHBondContact O-N 2.92Å; K480-T482 VanDerWaalsContact C-N 3.32Å; K480-T482 PolarHBondContact O-N 3.39Å; K480-L483 PolarHBondContact O-N 3.06Å; K480-A484 PolarHBondContact O-N 2.96Å
481D77.7Confident80.2Confident30 Ų3045.5 Ų45.516%0.1624%0.24CC..Hα-helixtrans-66.9-36.5-177.4-60.27.4000110.7Y450 L454 C477 A484 N485Y450-D481 VanDerWaalsContact CE1-OD2 3.32Å; Y450-D481 WeakPolarHBondContact CE1-OD2 3.38Å; Y450-D481 PolarHBondContact OH-OD2 2.71Å; L454-D481 HydrophobicContact CD2-CB 3.69Å; C477-D481 PolarHBondContact O-N 3.4Å; D481-A484 PolarHBondContact O-N 3.31Å; D481-N485 WeakPolarHBondContact O-CB 3.09Å; D481-N485 PolarHBondContact O-N 2.75Å; D481-N485 VanDerWaalsContact O-N 3.11Å; D481-N485 PolarHBondContact O-ND2 2.91Å
482T83.3Confident80.6Confident7 Ų743.2 Ų43.24%0.04322%0.223CC..Hα-helixtrans-63.2-43.7172.6-56.20000111.3F457 L465 L478 V479 K480 N485 M486F457-T482 HydrophobicContact CB-CG2 4.11Å; F457-T482 VanDerWaalsContact CB-OG1 3.29Å; F457-T482 WeakPolarHBondContact CB-OG1 3.27Å; L465-T482 HydrophobicContact CD1-CG2 3.87Å; L465-T482 HydrophobicContact CD2-CG2 4.02Å; L478-T482 VanDerWaalsContact O-CB 3.25Å; L478-T482 WeakPolarHBondContact O-CB 3.23Å; L478-T482 PolarHBondContact O-N 3.03Å; L478-T482 PolarHBondContact O-OG1 2.86Å; V479-T482 PolarHBondContact O-N 3.46Å; K480-T482 VanDerWaalsContact C-N 3.32Å; K480-T482 PolarHBondContact O-N 3.39Å; T482-N485 CarbonylContact O-C 3.51Å; T482-N485 PolarHBondContact O-N 3.41Å; T482-M486 WeakPolarHBondContact O-CG 3.38Å; T482-M486 PolarHBondContact O-N 3.17Å; T482-M486 VanDerWaalsContact O-N 3.08Å
483L83.5Confident81Confident5 Ų545.3 Ų45.33%0.02624%0.238CC..Hα-helixtrans-64.8-41.1177.9-73.8167.6000112L462 V479 K480 N485 M486 L510L462-L483 HydrophobicContact CD1-CD2 3.72Å; V479-L483 HydrophobicContact CG1-CD1 3.83Å; V479-L483 HydrophobicContact CG1-CG 4.31Å; V479-L483 WeakPolarHBondContact O-CB 3.47Å; V479-L483 WeakPolarHBondContact O-CG 3.42Å; V479-L483 PolarHBondContact O-N 2.91Å; K480-L483 PolarHBondContact O-N 3.06Å; L483-N485 VanDerWaalsContact C-N 3.28Å; L483-N485 PolarHBondContact O-N 2.83Å; L483-M486 HydrophobicContact CD2-SD 3.88Å; L483-M486 WeakPolarHBondContact O-CB 3.29Å; L483-M486 PolarHBondContact O-N 3.33Å; L483-L510 HydrophobicContact CB-CD2 4.27Å; L483-L510 HydrophobicContact CD2-CD2 4.26Å; L483-L510 WeakPolarHBondContact O-CD2 3.18Å
484A76.8Confident81.9Confident5 Ų543.8 Ų43.84%0.04123%0.233CC..Hα-helixtrans-61.4-37.7174.900000112.1K480 D481 Q512 H630K480-A484 PolarHBondContact O-N 2.96Å; D481-A484 PolarHBondContact O-N 3.31Å; A484-Q512 WeakPolarHBondContact CB-O 3.49Å; A484-H630 PolarHBondContact O-CD2 2.84Å
485N77.3Confident82.7Confident52 Ų5245.3 Ų45.328%0.27824%0.236SC..THydrogen-bonded Turntrans-86.24.8178.2-69.7-70.8000114.2D481 T482 L483 T487 N514D481-N485 WeakPolarHBondContact O-CB 3.09Å; D481-N485 PolarHBondContact O-N 2.75Å; D481-N485 VanDerWaalsContact O-N 3.11Å; D481-N485 PolarHBondContact O-ND2 2.91Å; T482-N485 CarbonylContact O-C 3.51Å; T482-N485 PolarHBondContact O-N 3.41Å; L483-N485 VanDerWaalsContact C-N 3.28Å; L483-N485 PolarHBondContact O-N 2.83Å; N485-T487 PolarHBondContact O-N 2.79Å; N485-N514 PolarHBondContact ND2-ND2 3.48Å; N485-N514 PolarHBondContact OD1-ND2 3.13Å
486M83.6Confident82.8Confident28 Ų2847.7 Ų47.714%0.13825%0.254CS..  trans-70.8118.9179.2-90.1-172.2153.900111.7L465 T482 L483 H630 L631L465-M486 HydrophobicContact CD1-CE 3.47Å; L465-M486 VanDerWaalsContact CD1-CE 3.47Å; L465-M486 HydrophobicContact CD1-SD 4.39Å; T482-M486 WeakPolarHBondContact O-CG 3.38Å; T482-M486 PolarHBondContact O-N 3.17Å; T482-M486 VanDerWaalsContact O-N 3.08Å; L483-M486 HydrophobicContact CD2-SD 3.88Å; L483-M486 WeakPolarHBondContact O-CB 3.29Å; L483-M486 PolarHBondContact O-N 3.33Å; M486-H630 CarbonylContact O-C 3.59Å; M486-L631 VanDerWaalsContact O-CA 3.26Å; M486-L631 WeakPolarHBondContact O-CA 3.38Å; M486-L631 PolarHBondContact O-N 2.95Å
487T86.7Confident83.1Confident86 Ų8646.9 Ų46.953%0.52826%0.258SS..SBendtrans-86.9-18.5176.157.30000113.7N485 H630 R632 R633N485-T487 PolarHBondContact O-N 2.79Å; T487-H630 WeakPolarHBondContact CA-O 3.38Å; T487-R632 CarbonylContact O-C 3.28Å; T487-R632 WeakPolarHBondContact O-CA 3.36Å; T487-R632 PolarHBondContact O-N 2.68Å; T487-R633 PolarHBondContact O-N 2.68Å
488S89.8Confident83.7Confident65 Ų6544.3 Ų44.346%0.45524%0.24SC..EExtended strand (participates in β ladder)trans-143.7136.6-177.8-169.80000110.7R633S488-R633 CarbonylContact C-O 3.54Å; S488-R633 WeakPolarHBondContact CA-O 3.11Å
489I89.1Confident84.2Confident8 Ų846.4 Ų46.44%0.04125%0.251CS..EExtended strand (participates in β ladder)trans-138.3132.8174.3-158.1170.6000111.3L462 L491 L506 L510 L631 R633 L634 D635L462-I489 HydrophobicContact CD1-CD1 4.47Å; L462-I489 HydrophobicContact CD2-CD1 4.17Å; I489-L491 HydrophobicContact CD1-CD2 4.1Å; I489-L491 HydrophobicContact CG1-CD2 4.16Å; I489-L491 HydrophobicContact CG1-CG 4.45Å; I489-L506 HydrophobicContact CD1-CD1 4.4Å; I489-L506 HydrophobicContact CD1-CD2 4.16Å; I489-L510 HydrophobicContact CD1-CD1 4.01Å; I489-L510 HydrophobicContact CD1-CD2 4.41Å; I489-L631 HydrophobicContact CB-CD1 4.15Å; I489-L631 HydrophobicContact CG2-CD1 3.85Å; I489-L631 HydrophobicContact CG2-CD2 4.36Å; I489-R633 PolarHBondContact N-O 3.27Å; I489-L634 HydrophobicContact CG2-CD1 3.45Å; I489-L634 VanDerWaalsContact CG2-CD1 3.45Å; I489-D635 PolarHBondContact O-N 2.8Å
490D88.6Confident84.7Confident65 Ų6548.6 Ų48.635%0.34826%0.263SS..EExtended strand (participates in β ladder)trans-101.7123.4168.4163.336.2000108.9Q492 S493D490-Q492 WeakPolarHBondContact OD1-CA 3.12Å; D490-Q492 VanDerWaalsContact OD1-CB 3.27Å; D490-Q492 WeakPolarHBondContact OD1-CB 3.37Å; D490-Q492 PolarHBondContact OD1-N 3.27Å; D490-S493 PolarHBondContact OD1-N 3.3Å; D490-S493 WeakPolarHBondContact OD2-CB 3.5Å; D490-S493 PolarHBondContact OD2-OG 3.32Å
491L90.6Very high85.2Confident2 Ų247.9 Ų47.91%0.0127%0.27CS..  trans-114.3-6.4172.3-59.5-179.7000113.2L462 I489 S493 F494 W495 L498 L506 L634 D635 M636 C639 F653L462-L491 HydrophobicContact CD2-CD2 3.7Å; I489-L491 HydrophobicContact CD1-CD2 4.1Å; I489-L491 HydrophobicContact CG1-CD2 4.16Å; I489-L491 HydrophobicContact CG1-CG 4.45Å; L491-S493 PolarHBondContact O-N 2.92Å; L491-F494 HydrophobicContact CD2-CD2 4.37Å; L491-F494 CarbonylContact O-C 3.59Å; L491-F494 WeakPolarHBondContact O-CA 3.32Å; L491-F494 PolarHBondContact O-N 3.38Å; L491-W495 PolarHBondContact O-N 2.8Å; L491-L498 HydrophobicContact CB-CD2 4.17Å; L491-L498 HydrophobicContact CD1-CD2 4.23Å; L491-L506 HydrophobicContact CD1-CD2 3.8Å; L491-L506 HydrophobicContact CD2-CD2 3.87Å; L491-L506 HydrophobicContact CG-CD2 4.5Å; L491-L634 HydrophobicContact CD1-CD1 4.09Å; L491-D635 WeakPolarHBondContact CA-O 3.21Å; L491-D635 WeakPolarHBondContact CB-O 3.39Å; L491-D635 PolarHBondContact N-O 2.93Å; L491-M636 HydrophobicContact CB-CG 3.91Å; L491-M636 HydrophobicContact CD1-CG 3.78Å; L491-M636 HydrophobicContact CD1-SD 4.13Å; L491-M636 HydrophobicContact CG-CG 4.33Å; L491-C639 PolarHBondContact O-SG 2.82Å; L491-C639 VanDerWaalsContact O-SG 3.4Å; L491-F653 HydrophobicContact CD1-CZ 4.42Å
492Q87.9Confident85.8Confident52 Ų5249.2 Ų49.224%0.24328%0.279CS..G310 helixtrans-55.9-42.5172.2-177.3-17621.900109.9D490 F494 W495 S637 W638 H955D490-Q492 WeakPolarHBondContact OD1-CA 3.12Å; D490-Q492 VanDerWaalsContact OD1-CB 3.27Å; D490-Q492 WeakPolarHBondContact OD1-CB 3.37Å; D490-Q492 PolarHBondContact OD1-N 3.27Å; Q492-F494 PolarHBondContact O-N 3.2Å; Q492-W495 VanDerWaalsContact O-CD1 3.26Å; Q492-W495 PolarHBondContact O-N 3.4Å; Q492-W495 VanDerWaalsContact O-N 3.14Å; Q492-S637 WeakPolarHBondContact CG-O 3.27Å; Q492-W638 VanDerWaalsContact NE2-CD1 3.32Å; Q492-H955 PolarHBondContact NE2-NE2 2.92Å
493S81.2Confident86Confident87 Ų8748.9 Ų48.961%0.60828%0.277SS*.G310 helixtrans-58.5-8.9173.5-65.20000115.3D490 L491D490-S493 PolarHBondContact OD1-N 3.3Å; D490-S493 WeakPolarHBondContact OD2-CB 3.5Å; D490-S493 PolarHBondContact OD2-OG 3.32Å; L491-S493 PolarHBondContact O-N 2.92Å
494F84.8Confident86.3Confident38 Ų3851.2 Ų51.217%0.16729%0.289CS..G310 helixtrans-120.67.1-177.3-58.4-95.4000113.3L462 R463 L491 Q492 P496 I497 L498L462-F494 HydrophobicContact CB-CE2 4.26Å; L462-F494 HydrophobicContact CB-CZ 3.97Å; L462-F494 HydrophobicContact CD2-CE2 4.06Å; L462-F494 HydrophobicContact CD2-CZ 4.06Å; L462-F494 HydrophobicContact CG-CZ 4.26Å; R463-F494 HydrophobicContact CB-CE1 4.09Å; R463-F494 HydrophobicContact CB-CZ 4.01Å; L491-F494 HydrophobicContact CD2-CD2 4.37Å; L491-F494 CarbonylContact O-C 3.59Å; L491-F494 WeakPolarHBondContact O-CA 3.32Å; L491-F494 PolarHBondContact O-N 3.38Å; Q492-F494 PolarHBondContact O-N 3.2Å; F494-P496 VanDerWaalsContact C-N 3.3Å; F494-P496 WeakPolarHBondContact O-CD 3.44Å; F494-P496 VanDerWaalsContact O-N 3.08Å; F494-I497 HydrophobicContact CB-CG1 4.38Å; F494-I497 HydrophobicContact CD1-CD1 4.3Å; F494-I497 WeakPolarHBondContact O-CG1 3.48Å; F494-I497 PolarHBondContact O-N 3.03Å; F494-L498 PolarHBondContact O-N 2.86Å
495W83.3Confident86.7Confident100 Ų10053.4 Ų53.438%0.37930%0.304SS..THydrogen-bonded Turntrans-49.5-33.6-176.482.4-100.6000116.3L491 Q492 I497 W638 N641 Y642L491-W495 PolarHBondContact O-N 2.8Å; Q492-W495 VanDerWaalsContact O-CD1 3.26Å; Q492-W495 PolarHBondContact O-N 3.4Å; Q492-W495 VanDerWaalsContact O-N 3.14Å; W495-I497 VanDerWaalsContact C-N 3.29Å; W495-I497 PolarHBondContact O-N 2.76Å; W495-W638 HydrophobicContact CG-CB 4.46Å; W495-N641 HydrophobicContact CE3-CB 4.3Å; W495-N641 HydrophobicContact CZ3-CB 4.14Å; W495-Y642 HydrophobicContact CZ3-CE2 4.49Å
496P82.2Confident87.1Confident75 Ų7551.9 Ų51.949%0.48730%0.296SS..THydrogen-bonded Turntrans-76.4-10.5-178.9-14.930.8000114.8F494F494-P496 VanDerWaalsContact C-N 3.3Å; F494-P496 WeakPolarHBondContact O-CD 3.44Å; F494-P496 VanDerWaalsContact O-N 3.08Å
497I82.5Confident87.2Confident112 Ų11250.6 Ų50.657%0.57429%0.289SS*.THydrogen-bonded Turntrans-123.5-14.5-175.765.8169.1000113.7F494 W495 N499F494-I497 HydrophobicContact CB-CG1 4.38Å; F494-I497 HydrophobicContact CD1-CD1 4.3Å; F494-I497 WeakPolarHBondContact O-CG1 3.48Å; F494-I497 PolarHBondContact O-N 3.03Å; W495-I497 VanDerWaalsContact C-N 3.29Å; W495-I497 PolarHBondContact O-N 2.76Å; I497-N499 PolarHBondContact O-N 3.35Å; I497-N499 PolarHBondContact O-ND2 2.75Å
498L86.4Confident86.9Confident11 Ų1151.2 Ų51.26%0.05829%0.285CS..  trans-72.7119.2-176.4-167.467.1000110.9L491 F494 L503 M636 C639 I645L491-L498 HydrophobicContact CB-CD2 4.17Å; L491-L498 HydrophobicContact CD1-CD2 4.23Å; F494-L498 PolarHBondContact O-N 2.86Å; L498-L503 HydrophobicContact CD1-CD1 4.33Å; L498-L503 HydrophobicContact CD2-CD1 4.31Å; L498-M636 HydrophobicContact CD2-CE 4.16Å; L498-C639 HydrophobicContact CD2-CB 4.05Å; L498-I645 HydrophobicContact CB-CD1 4.42Å; L498-I645 HydrophobicContact CD2-CD1 3.84Å; L498-I645 HydrophobicContact CG-CD1 3.9Å
499N90.3Very high86.4Confident45 Ų4553.1 Ų53.124%0.24128%0.282CS..  trans-137.6167.2179.364.679.5000111.8I497 S501 T502 L503 M644I497-N499 PolarHBondContact O-N 3.35Å; I497-N499 PolarHBondContact O-ND2 2.75Å; N499-S501 VanDerWaalsContact C-N 3.31Å; N499-S501 PolarHBondContact O-N 3.16Å; N499-S501 VanDerWaalsContact O-N 3.14Å; N499-S501 PolarHBondContact OD1-N 3.41Å; N499-S501 VanDerWaalsContact OD1-N 3.14Å; N499-S501 PolarHBondContact OD1-OG 2.88Å; N499-T502 PolarHBondContact N-OG1 2.97Å; N499-T502 PolarHBondContact O-N 3.23Å; N499-T502 PolarHBondContact O-OG1 2.79Å; N499-T502 PolarHBondContact OD1-N 3.06Å; N499-L503 WeakPolarHBondContact O-CB 3.32Å; N499-L503 PolarHBondContact O-N 2.93Å; N499-M644 CarbonylContact C-O 3.55Å; N499-M644 WeakPolarHBondContact CA-O 3.4Å; N499-M644 HydrophobicContact CB-CB 4.24Å; N499-M644 HydrophobicContact CB-CE 4.22Å; N499-M644 WeakPolarHBondContact CB-O 3.39Å
500D93Very high86.1Confident51 Ų5152.8 Ų52.827%0.27328%0.28SS..Hα-helixtrans-40.2-52.5179.7-78.89.7000114.3T502 L503 I504 M644 I645 S646 A649D500-T502 VanDerWaalsContact C-N 3.33Å; D500-T502 PolarHBondContact O-N 3.1Å; D500-L503 PolarHBondContact O-N 3.37Å; D500-I504 WeakPolarHBondContact O-CB 3.01Å; D500-I504 VanDerWaalsContact O-CG1 3.32Å; D500-I504 WeakPolarHBondContact O-CG1 3.48Å; D500-I504 PolarHBondContact O-N 3.33Å; D500-M644 PolarHBondContact N-O 3.01Å; D500-M644 VanDerWaalsContact N-O 3.1Å; D500-I645 WeakPolarHBondContact OD1-CA 3.3Å; D500-S646 PolarHBondContact OD1-N 3.48Å; D500-S646 PolarHBondContact OD1-OG 3.44Å; D500-S646 WeakPolarHBondContact OD2-CB 3.5Å; D500-S646 PolarHBondContact OD2-OG 3.42Å; D500-A649 HydrophobicContact CB-CB 3.77Å; D500-A649 WeakPolarHBondContact OD1-CB 3.26Å
501S90.5Very high85.2Confident82 Ų8250.7 Ų50.757%0.57327%0.274SS*.Hα-helixtrans-64.6-37.4-176.975.20000112.6N499 S505N499-S501 VanDerWaalsContact C-N 3.31Å; N499-S501 PolarHBondContact O-N 3.16Å; N499-S501 VanDerWaalsContact O-N 3.14Å; N499-S501 PolarHBondContact OD1-N 3.41Å; N499-S501 VanDerWaalsContact OD1-N 3.14Å; N499-S501 PolarHBondContact OD1-OG 2.88Å; S501-S505 WeakPolarHBondContact O-CB 3.01Å; S501-S505 PolarHBondContact O-N 3.44Å; S501-S505 VanDerWaalsContact O-N 3.08Å
502T89.2Confident83.9Confident57 Ų5753.8 Ų53.835%0.3529%0.288SS..Hα-helixtrans-75.6-35.6177.156.50000112.2N499 D500 L506N499-T502 PolarHBondContact N-OG1 2.97Å; N499-T502 PolarHBondContact O-N 3.23Å; N499-T502 PolarHBondContact O-OG1 2.79Å; N499-T502 PolarHBondContact OD1-N 3.06Å; D500-T502 VanDerWaalsContact C-N 3.33Å; D500-T502 PolarHBondContact O-N 3.1Å; T502-L506 WeakPolarHBondContact O-CB 3.36Å; T502-L506 PolarHBondContact O-N 2.86Å
503L89.4Confident82.2Confident0 Ų052.7 Ų52.70%029%0.286CS..Hα-helixtrans-69.4-48.8179.4-171.567.5000110.5L498 N499 D500 S505 L506 G507 M636 I645 F650 F653L498-L503 HydrophobicContact CD1-CD1 4.33Å; L498-L503 HydrophobicContact CD2-CD1 4.31Å; N499-L503 WeakPolarHBondContact O-CB 3.32Å; N499-L503 PolarHBondContact O-N 2.93Å; D500-L503 PolarHBondContact O-N 3.37Å; L503-S505 PolarHBondContact O-N 3.33Å; L503-L506 WeakPolarHBondContact O-CB 3.3Å; L503-L506 PolarHBondContact O-N 3.13Å; L503-L506 VanDerWaalsContact O-N 3.11Å; L503-G507 PolarHBondContact O-N 3.13Å; L503-M636 HydrophobicContact CD1-CE 3.75Å; L503-M636 HydrophobicContact CD1-SD 4.12Å; L503-M636 HydrophobicContact CD2-CE 4.11Å; L503-I645 HydrophobicContact CD2-CD1 4.44Å; L503-I645 HydrophobicContact CD2-CG2 3.82Å; L503-F650 HydrophobicContact CD2-CB 4.48Å; L503-F653 HydrophobicContact CD1-CB 4.34Å; L503-F653 HydrophobicContact CD1-CD1 3.79Å; L503-F653 HydrophobicContact CD1-CD2 3.78Å; L503-F653 HydrophobicContact CD1-CE1 3.96Å; L503-F653 HydrophobicContact CD1-CE2 3.97Å; L503-F653 HydrophobicContact CD1-CG 3.69Å; L503-F653 HydrophobicContact CD1-CZ 4.06Å; L503-F653 HydrophobicContact CD2-CB 4.08Å; L503-F653 HydrophobicContact CD2-CD1 4.48Å; L503-F653 HydrophobicContact CD2-CG 4.28Å; L503-F653 HydrophobicContact CG-CB 3.79Å; L503-F653 HydrophobicContact CG-CD1 4.17Å; L503-F653 HydrophobicContact CG-CD2 3.93Å; L503-F653 HydrophobicContact CG-CG 3.69Å; L503-F653 VanDerWaalsContact O-CD2 3.28Å; L503-F653 WeakPolarHBondContact O-CD2 3.33Å
504I88.2Confident80.8Confident54 Ų5449 Ų4928%0.27726%0.259SS..Hα-helixtrans-63.1-41174.8-64165.9000110.8D500 L506 G507 K508 A649D500-I504 WeakPolarHBondContact O-CB 3.01Å; D500-I504 VanDerWaalsContact O-CG1 3.32Å; D500-I504 WeakPolarHBondContact O-CG1 3.48Å; D500-I504 PolarHBondContact O-N 3.33Å; I504-L506 PolarHBondContact O-N 2.8Å; I504-G507 PolarHBondContact O-N 3.39Å; I504-K508 PolarHBondContact O-N 2.88Å; I504-A649 HydrophobicContact CD1-CB 3.84Å; I504-A649 HydrophobicContact CG1-CB 4.09Å
505S85.1Confident78.9Confident51 Ų5150.6 Ų50.636%0.35727%0.269SS..Hα-helixtrans-68.6-19.3176-162.80000113.7S501 L503 R509S501-S505 WeakPolarHBondContact O-CB 3.01Å; S501-S505 PolarHBondContact O-N 3.44Å; S501-S505 VanDerWaalsContact O-N 3.08Å; L503-S505 PolarHBondContact O-N 3.33Å; S505-R509 WeakPolarHBondContact O-CD 3.21Å; S505-R509 VanDerWaalsContact O-CG 3.28Å; S505-R509 WeakPolarHBondContact O-CG 3.36Å; S505-R509 PolarHBondContact O-NE 3.32Å; S505-R509 PolarHBondContact OG-NH2 3.36Å
506L86.8Confident76.9Confident21 Ų2148.5 Ų48.511%0.1127%0.267CS..Hα-helixtrans-83.6-43.3171.1-178.462.3000111I489 L491 T502 L503 I504 K508 R509 L510 F653I489-L506 HydrophobicContact CD1-CD1 4.4Å; I489-L506 HydrophobicContact CD1-CD2 4.16Å; L491-L506 HydrophobicContact CD1-CD2 3.8Å; L491-L506 HydrophobicContact CD2-CD2 3.87Å; L491-L506 HydrophobicContact CG-CD2 4.5Å; T502-L506 WeakPolarHBondContact O-CB 3.36Å; T502-L506 PolarHBondContact O-N 2.86Å; L503-L506 WeakPolarHBondContact O-CB 3.3Å; L503-L506 PolarHBondContact O-N 3.13Å; L503-L506 VanDerWaalsContact O-N 3.11Å; I504-L506 PolarHBondContact O-N 2.8Å; L506-K508 PolarHBondContact O-N 3.2Å; L506-R509 WeakPolarHBondContact O-CA 3.47Å; L506-R509 WeakPolarHBondContact O-CB 3.46Å; L506-R509 PolarHBondContact O-N 3.27Å; L506-L510 HydrophobicContact CD1-CD1 4.04Å; L506-L510 HydrophobicContact CD1-CD2 4.43Å; L506-L510 HydrophobicContact CD1-CG 4.02Å; L506-L510 HydrophobicContact CD2-CD1 4.35Å; L506-L510 HydrophobicContact CG-CD1 3.82Å; L506-L510 HydrophobicContact CG-CG 4.2Å; L506-L510 PolarHBondContact O-N 2.77Å; L506-F653 HydrophobicContact CB-CE2 4.37Å; L506-F653 HydrophobicContact CD2-CE2 4.25Å; L506-F653 HydrophobicContact CG-CE2 4.16Å
507G84.9Confident75.1Confident0 Ų048.8 Ų48.80%026%0.262CS..Hα-helixtrans-52.9-55.3174.800000111.8L503 I504 R509 L510 G511L503-G507 PolarHBondContact O-N 3.13Å; I504-G507 PolarHBondContact O-N 3.39Å; G507-R509 PolarHBondContact O-N 3.29Å; G507-L510 PolarHBondContact O-N 3.1Å; G507-L510 VanDerWaalsContact O-N 3.13Å; G507-G511 PolarHBondContact O-N 3Å
508K80.6Confident73.2Confident99 Ų9948.3 Ų48.343%0.4325%0.253SS..Hα-helixtrans-60.6-0.7173.9-68.5-164.4171.8-166.10115.5I504 L506 Q512 N548 D656I504-K508 PolarHBondContact O-N 2.88Å; L506-K508 PolarHBondContact O-N 3.2Å; K508-Q512 WeakPolarHBondContact O-CG 3.45Å; K508-N548 PolarHBondContact NZ-OD1 3.23Å; K508-D656 WeakPolarHBondContact CG-OD2 3.21Å; K508-D656 PolarHBondContact N-OD2 3.16Å
509R79.1Confident71.1Confident105 Ų10548.6 Ų48.640%0.39626%0.257SS..Hα-helixtrans-112.9-32.5172.2-65.7177-147.1-161.95.1113.5S505 L506 G507S505-R509 WeakPolarHBondContact O-CD 3.21Å; S505-R509 VanDerWaalsContact O-CG 3.28Å; S505-R509 WeakPolarHBondContact O-CG 3.36Å; S505-R509 PolarHBondContact O-NE 3.32Å; S505-R509 PolarHBondContact OG-NH2 3.36Å; L506-R509 WeakPolarHBondContact O-CA 3.47Å; L506-R509 WeakPolarHBondContact O-CB 3.46Å; L506-R509 PolarHBondContact O-N 3.27Å; G507-R509 PolarHBondContact O-N 3.29Å
510L83Confident68.9Low1 Ų150.2 Ų50.21%0.00527%0.268CS..Hα-helixtrans-79-27.1175.2-64.2177.3000112.1L483 I489 L506 G507 S629 L631 F653 A657L483-L510 HydrophobicContact CB-CD2 4.27Å; L483-L510 HydrophobicContact CD2-CD2 4.26Å; L483-L510 WeakPolarHBondContact O-CD2 3.18Å; I489-L510 HydrophobicContact CD1-CD1 4.01Å; I489-L510 HydrophobicContact CD1-CD2 4.41Å; L506-L510 HydrophobicContact CD1-CD1 4.04Å; L506-L510 HydrophobicContact CD1-CD2 4.43Å; L506-L510 HydrophobicContact CD1-CG 4.02Å; L506-L510 HydrophobicContact CD2-CD1 4.35Å; L506-L510 HydrophobicContact CG-CD1 3.82Å; L506-L510 HydrophobicContact CG-CG 4.2Å; L506-L510 PolarHBondContact O-N 2.77Å; G507-L510 PolarHBondContact O-N 3.1Å; G507-L510 VanDerWaalsContact O-N 3.13Å; L510-S629 WeakPolarHBondContact O-CB 3.5Å; L510-S629 PolarHBondContact O-OG 2.94Å; L510-L631 HydrophobicContact CD1-CD2 4.42Å; L510-F653 HydrophobicContact CD1-CE2 4.25Å; L510-F653 HydrophobicContact CD1-CZ 4.4Å; L510-A657 HydrophobicContact CB-CB 3.72Å; L510-A657 HydrophobicContact CD1-CB 4.43Å
511G69.1Low66.6Low21 Ų2149.8 Ų49.822%0.21627%0.272CS..THydrogen-bonded Turntrans-88.58.917200000115G507 V513 N628 D656G507-G511 PolarHBondContact O-N 3Å; G511-V513 PolarHBondContact O-N 2.95Å; G511-N628 CarbonylContact C-O 3.31Å; G511-N628 VanDerWaalsContact C-O 3.31Å; G511-N628 WeakPolarHBondContact CA-O 3.44Å; G511-D656 VanDerWaalsContact CA-O 3.27Å; G511-D656 WeakPolarHBondContact CA-O 3.41Å
512Q64.5Low64.3Low67 Ų6749.2 Ų49.231%0.31326%0.26SS..SBendtrans-79.6110.7173.6-88.7-172.7-23.300109.7A484 K508 N514A484-Q512 WeakPolarHBondContact CB-O 3.49Å; K508-Q512 WeakPolarHBondContact O-CG 3.45Å; Q512-N514 PolarHBondContact O-N 3.46Å
513V52.9Low62Low30 Ų3050.5 Ų50.518%0.18226%0.259CS..  trans-48.6132175.3-1730000110.1G511 L515 R518 N628G511-V513 PolarHBondContact O-N 2.95Å; V513-L515 PolarHBondContact O-N 3.17Å; V513-R518 HydrophobicContact CG1-CG 4.25Å; V513-N628 HydrophobicContact CG2-CB 4.19Å; V513-N628 WeakPolarHBondContact CG2-OD1 3.44Å
514N50.1Low59.8Low9 Ų959.2 Ų59.25%0.04829%0.293CS..  trans-63.5101.9179.7-174.9-4.5000110.2N485 Q512 T516 E517 R518N485-N514 PolarHBondContact ND2-ND2 3.48Å; N485-N514 PolarHBondContact OD1-ND2 3.13Å; Q512-N514 PolarHBondContact O-N 3.46Å; N514-T516 PolarHBondContact ND2-OG1 3.28Å; N514-T516 PolarHBondContact O-N 2.95Å; N514-T516 VanDerWaalsContact O-N 3.12Å; N514-T516 PolarHBondContact OD1-N 3.11Å; N514-T516 VanDerWaalsContact OD1-N 3.12Å; N514-T516 PolarHBondContact OD1-OG1 2.96Å; N514-E517 HydrophobicContact CB-CB 4.28Å; N514-E517 HydrophobicContact CB-CG 4.33Å; N514-E517 PolarHBondContact O-N 2.85Å; N514-E517 VanDerWaalsContact O-N 3.08Å; N514-R518 PolarHBondContact O-N 3.31Å
515L45.1Very low57.7Low72 Ų7261.4 Ų61.438%0.37731%0.31SS..Hα-helixtrans-62.8-20.4-176.6-61.3176.7000112.4V513 A519 L537V513-L515 PolarHBondContact O-N 3.17Å; L515-A519 WeakPolarHBondContact O-CB 3.24Å; L515-A519 PolarHBondContact O-N 3.45Å; L515-L537 HydrophobicContact CB-CD2 3.79Å; L515-L537 HydrophobicContact CD1-CD2 4.12Å; L515-L537 HydrophobicContact CD2-CD2 3.74Å; L515-L537 HydrophobicContact CG-CD2 4.07Å
516T41.5Very low55.9Low55 Ų5562.5 Ų62.534%0.33731%0.314SS..Hα-helixtrans-77.3-40.4174.167.80000111.9N514 A519 V520N514-T516 PolarHBondContact ND2-OG1 3.28Å; N514-T516 PolarHBondContact O-N 2.95Å; N514-T516 VanDerWaalsContact O-N 3.12Å; N514-T516 PolarHBondContact OD1-N 3.11Å; N514-T516 VanDerWaalsContact OD1-N 3.12Å; N514-T516 PolarHBondContact OD1-OG1 2.96Å; T516-A519 PolarHBondContact O-N 3.17Å; T516-V520 WeakPolarHBondContact O-CB 3.38Å; T516-V520 VanDerWaalsContact O-CG2 3.27Å; T516-V520 WeakPolarHBondContact O-CG2 3.34Å; T516-V520 PolarHBondContact O-N 3.08Å
517E44.5Very low53.6Low81 Ų8164.8 Ų64.838%0.37934%0.342SS..Hα-helixtrans-64.2-42.1175-77.8-174.3167.600112.1N514 A519 V520 A521 H630N514-E517 HydrophobicContact CB-CB 4.28Å; N514-E517 HydrophobicContact CB-CG 4.33Å; N514-E517 PolarHBondContact O-N 2.85Å; N514-E517 VanDerWaalsContact O-N 3.08Å; E517-A519 PolarHBondContact O-N 2.83Å; E517-V520 PolarHBondContact O-N 2.96Å; E517-A521 WeakPolarHBondContact O-CB 3.43Å; E517-A521 PolarHBondContact O-N 3.33Å; E517-H630 IonicContact OE1-CE1 3.72Å; E517-H630 IonicContact OE2-CE1 3.09Å; E517-H630 PolarHBondContact OE2-CE1 3.38Å; E517-H630 IonicContact OE2-NE2 3.76Å
518R43.8Very low51.4Low102 Ų10271 Ų7139%0.38537%0.372SS..Hα-helixtrans-60.7-45173.3-86.5-172.1172155.54.2112.3V513 N514 V520 A521 E522V513-R518 HydrophobicContact CG1-CG 4.25Å; N514-R518 PolarHBondContact O-N 3.31Å; R518-V520 VanDerWaalsContact C-N 3.3Å; R518-V520 PolarHBondContact O-N 3.13Å; R518-A521 PolarHBondContact O-N 3.19Å; R518-E522 WeakPolarHBondContact O-CG 3.46Å; R518-E522 PolarHBondContact O-N 3.5Å
519A41.7Very low49.5Very low18 Ų1870 Ų7015%0.14938%0.377CS..Hα-helixtrans-64.3-33177.900000113.2L515 T516 E517 Y523 P533L515-A519 WeakPolarHBondContact O-CB 3.24Å; L515-A519 PolarHBondContact O-N 3.45Å; T516-A519 PolarHBondContact O-N 3.17Å; E517-A519 PolarHBondContact O-N 2.83Å; A519-Y523 WeakPolarHBondContact O-CB 3.35Å; A519-Y523 PolarHBondContact O-N 2.73Å; A519-Y523 VanDerWaalsContact O-N 3.17Å; A519-P533 HydrophobicContact CB-CB 3.61Å; A519-P533 HydrophobicContact CB-CG 4.09Å
520V43.8Very low47.5Very low79 Ų7967.9 Ų67.948%0.47937%0.373SS..Hα-helixtrans-75.7-40.8175.9169.40000111.3T516 E517 R518 Y523 Y524T516-V520 WeakPolarHBondContact O-CB 3.38Å; T516-V520 VanDerWaalsContact O-CG2 3.27Å; T516-V520 WeakPolarHBondContact O-CG2 3.34Å; T516-V520 PolarHBondContact O-N 3.08Å; E517-V520 PolarHBondContact O-N 2.96Å; R518-V520 VanDerWaalsContact C-N 3.3Å; R518-V520 PolarHBondContact O-N 3.13Å; V520-Y523 WeakPolarHBondContact O-CB 3.4Å; V520-Y523 PolarHBondContact O-N 2.99Å; V520-Y524 HydrophobicContact CG1-CD2 3.74Å; V520-Y524 HydrophobicContact CG1-CE2 3.58Å; V520-Y524 VanDerWaalsContact O-CD2 3.25Å; V520-Y524 WeakPolarHBondContact O-CD2 3.44Å; V520-Y524 PolarHBondContact O-N 3.22Å; V520-Y524 VanDerWaalsContact O-N 3.07Å
521A45.2Very low45.3Very low42 Ų4272 Ų7235%0.34740%0.398SS..Hα-helixtrans-61.8-46.8174.200000111.6E517 R518 Y523 Y524 T525E517-A521 WeakPolarHBondContact O-CB 3.43Å; E517-A521 PolarHBondContact O-N 3.33Å; R518-A521 PolarHBondContact O-N 3.19Å; A521-Y523 VanDerWaalsContact C-N 3.3Å; A521-Y523 PolarHBondContact O-N 3.25Å; A521-Y524 PolarHBondContact O-N 3.16Å; A521-T525 WeakPolarHBondContact O-CG2 3.22Å; A521-T525 PolarHBondContact O-N 3.35Å; A521-T525 PolarHBondContact O-OG1 3.15Å
522E41.9Very low43.7Very low70 Ų7073.4 Ų73.433%0.32741%0.408SS..Hα-helixtrans-59.5-38.2173.6-75.6-172.9140.500112.5R518 T525 T526 L536R518-E522 WeakPolarHBondContact O-CG 3.46Å; R518-E522 PolarHBondContact O-N 3.5Å; E522-T525 PolarHBondContact O-OG1 3.09Å; E522-T526 VanDerWaalsContact O-CB 3.3Å; E522-T526 WeakPolarHBondContact O-CB 3.36Å; E522-T526 VanDerWaalsContact O-CG2 3.3Å; E522-T526 WeakPolarHBondContact O-CG2 3.27Å; E522-T526 PolarHBondContact O-N 3.33Å; E522-T526 PolarHBondContact O-OG1 3.05Å; E522-L536 WeakPolarHBondContact OE1-CD2 3.32Å
523Y41.1Very low42.2Very low83 Ų8370.7 Ų70.733%0.32540%0.396SS..Hα-helixtrans-62.8-47.9177.2174.6-100.3000111.8A519 V520 A521 G527 Q528 L530A519-Y523 WeakPolarHBondContact O-CB 3.35Å; A519-Y523 PolarHBondContact O-N 2.73Å; A519-Y523 VanDerWaalsContact O-N 3.17Å; V520-Y523 WeakPolarHBondContact O-CB 3.4Å; V520-Y523 PolarHBondContact O-N 2.99Å; A521-Y523 VanDerWaalsContact C-N 3.3Å; A521-Y523 PolarHBondContact O-N 3.25Å; Y523-G527 PolarHBondContact O-N 2.87Å; Y523-G527 VanDerWaalsContact O-N 3.16Å; Y523-Q528 WeakPolarHBondContact CD2-O 3.44Å; Y523-L530 HydrophobicContact CD2-CD2 4.08Å; Y523-L530 HydrophobicContact CD2-CG 3.98Å; Y523-L530 HydrophobicContact CE2-CD1 4.48Å; Y523-L530 HydrophobicContact CE2-CG 4.13Å; Y523-L530 HydrophobicContact CG-CD2 4.43Å
524Y43.7Very low41.4Very low183 Ų18372 Ų7272%0.71840%0.401SS*.Hα-helixtrans-69.7-29.6179.5-76.4-64.6000113.8V520 A521V520-Y524 HydrophobicContact CG1-CD2 3.74Å; V520-Y524 HydrophobicContact CG1-CE2 3.58Å; V520-Y524 VanDerWaalsContact O-CD2 3.25Å; V520-Y524 WeakPolarHBondContact O-CD2 3.44Å; V520-Y524 PolarHBondContact O-N 3.22Å; V520-Y524 VanDerWaalsContact O-N 3.07Å; A521-Y524 PolarHBondContact O-N 3.16Å
525T43.3Very low40.8Very low101 Ų10175.3 Ų75.362%0.6242%0.422SS*.Hα-helixtrans-89.2-25.9179.757.50000114.6A521 E522A521-T525 WeakPolarHBondContact O-CG2 3.22Å; A521-T525 PolarHBondContact O-N 3.35Å; A521-T525 PolarHBondContact O-OG1 3.15Å; E522-T525 PolarHBondContact O-OG1 3.09Å
526T47.2Very low40.5Very low74 Ų7475 Ų7545%0.45442%0.42SS..Hα-helixtrans-98.1-22.1-178.364.40000114.1E522 Q528E522-T526 VanDerWaalsContact O-CB 3.3Å; E522-T526 WeakPolarHBondContact O-CB 3.36Å; E522-T526 VanDerWaalsContact O-CG2 3.3Å; E522-T526 WeakPolarHBondContact O-CG2 3.27Å; E522-T526 PolarHBondContact O-N 3.33Å; E522-T526 PolarHBondContact O-OG1 3.05Å; T526-Q528 PolarHBondContact O-N 2.68Å; T526-Q528 VanDerWaalsContact O-N 3.15Å; T526-Q528 PolarHBondContact OG1-N 2.78Å
527G37.8Very low40.3Very low68 Ų6874.5 Ų74.570%0.70142%0.415SS*.  trans63.411.7-17200000114.2Y523Y523-G527 PolarHBondContact O-N 2.87Å; Y523-G527 VanDerWaalsContact O-N 3.16Å
528Q39.5Very low40.1Very low132 Ų13277.2 Ų77.262%0.61742%0.422SS*.  trans-98.5154.1-174.4-69.9-176.925.300112.8Y523 T526Y523-Q528 WeakPolarHBondContact CD2-O 3.44Å; T526-Q528 PolarHBondContact O-N 2.68Å; T526-Q528 VanDerWaalsContact O-N 3.15Å; T526-Q528 PolarHBondContact OG1-N 2.78Å
529S40.2Very low40Very low78 Ų7880.1 Ų80.155%0.54543%0.433SS..  trans-57.9144.3-174.3-1700000113.4V531 A532S529-V531 PolarHBondContact O-N 2.89Å; S529-A532 PolarHBondContact O-N 2.76Å; S529-A532 VanDerWaalsContact O-N 3.16Å
530L38.6Very low40Very low59 Ų5982 Ų8231%0.30944%0.439SS..THydrogen-bonded Turntrans-56.88.2179.6-75.3159.5000116.2Y523Y523-L530 HydrophobicContact CD2-CD2 4.08Å; Y523-L530 HydrophobicContact CD2-CG 3.98Å; Y523-L530 HydrophobicContact CE2-CD1 4.48Å; Y523-L530 HydrophobicContact CE2-CG 4.13Å; Y523-L530 HydrophobicContact CG-CD2 4.43Å
531V36.2Very low39.9Very low88 Ų8881.1 Ų81.153%0.53344%0.436SS..Hα-helixtrans-81.5-28.6172-175.40000111.8S529 T535S529-V531 PolarHBondContact O-N 2.89Å; V531-T535 PolarHBondContact O-OG1 3.17Å; V531-T535 VanDerWaalsContact O-OG1 3.13Å
532A34.8Very low39.7Very low51 Ų5186.9 Ų86.942%0.42145%0.448SS..Hα-helixtrans-63.5-49.2-179.700000113.3S529 I534 T535 L536S529-A532 PolarHBondContact O-N 2.76Å; S529-A532 VanDerWaalsContact O-N 3.16Å; A532-I534 PolarHBondContact O-N 2.92Å; A532-T535 WeakPolarHBondContact O-CB 3.46Å; A532-T535 PolarHBondContact O-N 3.02Å; A532-L536 PolarHBondContact O-N 3.35Å
533P33.5Very low39.8Very low10 Ų1086.6 Ų86.67%0.06545%0.447CS..Hα-helixtrans-61.7-40.9-175.4-2535.6000113.1A519 T535 L536 L537A519-P533 HydrophobicContact CB-CB 3.61Å; A519-P533 HydrophobicContact CB-CG 4.09Å; P533-T535 PolarHBondContact O-N 3.33Å; P533-T535 VanDerWaalsContact O-N 3.11Å; P533-L536 PolarHBondContact O-N 3.37Å; P533-L536 VanDerWaalsContact O-N 3.14Å; P533-L537 WeakPolarHBondContact O-CB 3.36Å; P533-L537 WeakPolarHBondContact O-CG 3.4Å; P533-L537 PolarHBondContact O-N 3.05Å
534I35.3Very low39.9Very low56 Ų5686.9 Ų86.929%0.28745%0.451SS..Hα-helixtrans-59.4-29.2177.8-62.9173000111.5A532 R538A532-I534 PolarHBondContact O-N 2.92Å; I534-R538 WeakPolarHBondContact O-CB 3.38Å; I534-R538 WeakPolarHBondContact O-CD 3.33Å; I534-R538 WeakPolarHBondContact O-CG 3.42Å; I534-R538 PolarHBondContact O-N 3.39Å
535T38.7Very low39.8Very low79 Ų7984.5 Ų84.549%0.48545%0.447SS..Hα-helixtrans-82.6-38.3179.1-49.50000111.6V531 A532 P533 R539V531-T535 PolarHBondContact O-OG1 3.17Å; V531-T535 VanDerWaalsContact O-OG1 3.13Å; A532-T535 WeakPolarHBondContact O-CB 3.46Å; A532-T535 PolarHBondContact O-N 3.02Å; P533-T535 PolarHBondContact O-N 3.33Å; P533-T535 VanDerWaalsContact O-N 3.11Å; T535-R539 PolarHBondContact O-N 2.89Å
536L38Very low39.7Very low66 Ų6684.9 Ų84.935%0.34644%0.442SS..Hα-helixtrans-63.7-47.3172.4-158.695.7000111.6E522 A532 P533 R538 R539 Q540E522-L536 WeakPolarHBondContact OE1-CD2 3.32Å; A532-L536 PolarHBondContact O-N 3.35Å; P533-L536 PolarHBondContact O-N 3.37Å; P533-L536 VanDerWaalsContact O-N 3.14Å; L536-R538 VanDerWaalsContact C-N 3.35Å; L536-R538 PolarHBondContact O-N 3.14Å; L536-R539 WeakPolarHBondContact O-CA 3.37Å; L536-R539 WeakPolarHBondContact O-CB 3.36Å; L536-R539 PolarHBondContact O-N 3.33Å; L536-Q540 PolarHBondContact O-N 2.79Å
537L38.4Very low39.4Very low44 Ų4488.4 Ų88.423%0.2345%0.446CS..Hα-helixtrans-60.9-40.4178.2-67171000112.1L515 P533 R539 C541L515-L537 HydrophobicContact CB-CD2 3.79Å; L515-L537 HydrophobicContact CD1-CD2 4.12Å; L515-L537 HydrophobicContact CD2-CD2 3.74Å; L515-L537 HydrophobicContact CG-CD2 4.07Å; P533-L537 WeakPolarHBondContact O-CB 3.36Å; P533-L537 WeakPolarHBondContact O-CG 3.4Å; P533-L537 PolarHBondContact O-N 3.05Å; L537-R539 PolarHBondContact O-N 2.94Å; L537-C541 WeakPolarHBondContact O-CB 3.34Å; L537-C541 PolarHBondContact O-N 3.36Å; L537-C541 PolarHBondContact O-SG 3.47Å
538R40.1Very low39.5Very low138 Ų13888.5 Ų88.552%0.52143%0.431SS..Hα-helixtrans-62.4-26.9172.9-82.8169.2169.5177.5-4.3113.5I534 L536 S584I534-R538 WeakPolarHBondContact O-CB 3.38Å; I534-R538 WeakPolarHBondContact O-CD 3.33Å; I534-R538 WeakPolarHBondContact O-CG 3.42Å; I534-R538 PolarHBondContact O-N 3.39Å; L536-R538 VanDerWaalsContact C-N 3.35Å; L536-R538 PolarHBondContact O-N 3.14Å; R538-S584 VanDerWaalsContact NH2-CB 3.3Å; R538-S584 PolarHBondContact NH2-OG 3.4Å
539R42.2Very low39.5Very low163 Ų16387.1 Ų87.162%0.61543%0.428SS*.Hα-helixtrans-83.7-49.4178.4-178.9176.4174165.32.2110.7T535 L536 L537 C541 R542 E543T535-R539 PolarHBondContact O-N 2.89Å; L536-R539 WeakPolarHBondContact O-CA 3.37Å; L536-R539 WeakPolarHBondContact O-CB 3.36Å; L536-R539 PolarHBondContact O-N 3.33Å; L537-R539 PolarHBondContact O-N 2.94Å; R539-C541 VanDerWaalsContact C-N 3.34Å; R539-C541 PolarHBondContact O-N 2.65Å; R539-R542 WeakPolarHBondContact O-CB 3.41Å; R539-R542 PolarHBondContact O-N 3.07Å; R539-E543 HydrophobicContact CG-CG 4.48Å; R539-E543 WeakPolarHBondContact CG-OE1 3.35Å; R539-E543 IonicContact CZ-OE1 3.47Å; R539-E543 IonicContact NE-OE1 2.74Å; R539-E543 PolarHBondContact NE-OE1 3.14Å; R539-E543 IonicContact NH2-OE1 3.29Å; R539-E543 PolarHBondContact NH2-OE1 3.33Å; R539-E543 PolarHBondContact O-N 3.08Å
540Q41.8Very low39.4Very low59 Ų5987.7 Ų87.728%0.27643%0.425SS..Hα-helixtrans-59-41.4176.8-72.6178.7-15.200112.3L536 R542 E543 E544L536-Q540 PolarHBondContact O-N 2.79Å; Q540-R542 PolarHBondContact O-N 2.64Å; Q540-E543 CarbonylContact O-C 3.55Å; Q540-E543 PolarHBondContact O-N 3.36Å; Q540-E543 VanDerWaalsContact O-N 3.17Å; Q540-E544 PolarHBondContact O-N 3.33Å
541C40.5Very low39.6Very low60 Ų6090.2 Ų90.241%0.40544%0.435SS..Hα-helixtrans-60.9-29.7174.4-70.40000113.6L537 R539 E545L537-C541 WeakPolarHBondContact O-CB 3.34Å; L537-C541 PolarHBondContact O-N 3.36Å; L537-C541 PolarHBondContact O-SG 3.47Å; R539-C541 VanDerWaalsContact C-N 3.34Å; R539-C541 PolarHBondContact O-N 2.65Å; C541-E545 WeakPolarHBondContact O-CB 3.4Å; C541-E545 VanDerWaalsContact O-CG 3.3Å; C541-E545 WeakPolarHBondContact O-CG 3.38Å; C541-E545 PolarHBondContact O-N 2.87Å
542R41.5Very low39.8Very low163 Ų16390.9 Ų90.962%0.61543%0.434SS*.Hα-helixtrans-75.5-45.1172.3-73.6-176.4175-162.6-1.5111.6R539 Q540 E544 E545 E546R539-R542 WeakPolarHBondContact O-CB 3.41Å; R539-R542 PolarHBondContact O-N 3.07Å; Q540-R542 PolarHBondContact O-N 2.64Å; R542-E544 PolarHBondContact O-N 3.43Å; R542-E545 PolarHBondContact O-N 2.83Å; R542-E546 WeakPolarHBondContact O-CB 3.43Å; R542-E546 WeakPolarHBondContact O-CG 3.28Å; R542-E546 PolarHBondContact O-N 3.33Å
543E43.7Very low39.9Very low64 Ų6495 Ų9530%0.29945%0.445SS..Hα-helixtrans-65.3-17.2178.2-66.5167.9172.300112R539 Q540 R547R539-E543 HydrophobicContact CG-CG 4.48Å; R539-E543 WeakPolarHBondContact CG-OE1 3.35Å; R539-E543 IonicContact CZ-OE1 3.47Å; R539-E543 IonicContact NE-OE1 2.74Å; R539-E543 PolarHBondContact NE-OE1 3.14Å; R539-E543 IonicContact NH2-OE1 3.29Å; R539-E543 PolarHBondContact NH2-OE1 3.33Å; R539-E543 PolarHBondContact O-N 3.08Å; Q540-E543 CarbonylContact O-C 3.55Å; Q540-E543 PolarHBondContact O-N 3.36Å; Q540-E543 VanDerWaalsContact O-N 3.17Å; E543-R547 PolarHBondContact O-NE 3.04Å; E543-R547 PolarHBondContact O-NH2 3.15Å
544E42.6Very low40Very low88 Ų88100 Ų10041%0.41147%0.471SS..Hα-helixtrans-86.4-42.8165.8-73.9-174.8175.200113.3Q540 R542 E546 N548Q540-E544 PolarHBondContact O-N 3.33Å; R542-E544 PolarHBondContact O-N 3.43Å; E544-E546 VanDerWaalsContact C-N 3.3Å; E544-E546 PolarHBondContact O-N 3.44Å; E544-N548 PolarHBondContact O-N 3.29Å; E544-N548 VanDerWaalsContact O-N 3.1Å; E544-N548 PolarHBondContact O-ND2 3.16Å
545E42.5Very low40.2Very low134 Ų134103.6 Ų103.663%0.62649%0.487SS*.Hα-helixtrans-61.1-38.3175-80177.6166.800111.6C541 R542 N549C541-E545 WeakPolarHBondContact O-CB 3.4Å; C541-E545 VanDerWaalsContact O-CG 3.3Å; C541-E545 WeakPolarHBondContact O-CG 3.38Å; C541-E545 PolarHBondContact O-N 2.87Å; R542-E545 PolarHBondContact O-N 2.83Å; E545-N549 PolarHBondContact O-N 3.42Å; E545-N549 PolarHBondContact O-ND2 3.12Å
546E41.1Very low40Very low109 Ų109107.6 Ų107.651%0.50949%0.494SS..Hα-helixtrans-67.1-53.9176.7-72.5161.7-171.800110.9R542 E544 N548 N549 D550R542-E546 WeakPolarHBondContact O-CB 3.43Å; R542-E546 WeakPolarHBondContact O-CG 3.28Å; R542-E546 PolarHBondContact O-N 3.33Å; E544-E546 VanDerWaalsContact C-N 3.3Å; E544-E546 PolarHBondContact O-N 3.44Å; E546-N548 PolarHBondContact O-N 2.88Å; E546-N549 WeakPolarHBondContact O-CB 3.2Å; E546-N549 PolarHBondContact O-N 3.19Å; E546-D550 PolarHBondContact O-N 3.1Å; E546-D550 VanDerWaalsContact O-N 3.12Å
547R40.3Very low40.1Very low148 Ų148109.2 Ų109.256%0.55851%0.507SS*.Hα-helixtrans-58.9-38.6179.1-87.6179.4-73.9172.6-3114.5E543 N549 D550 E551E543-R547 PolarHBondContact O-NE 3.04Å; E543-R547 PolarHBondContact O-NH2 3.15Å; R547-N549 VanDerWaalsContact C-N 3.26Å; R547-N549 PolarHBondContact O-N 3.3Å; R547-D550 PolarHBondContact O-N 3.4Å; R547-E551 PolarHBondContact O-N 2.98Å; R547-E551 VanDerWaalsContact O-N 3.1Å
548N40.5Very low40Very low69 Ų69110.7 Ų110.737%0.36953%0.525SS..Hα-helixtrans-69.4-23.3177.5-77.8-94.9000112.4K508 E544 E546 I552K508-N548 PolarHBondContact NZ-OD1 3.23Å; E544-N548 PolarHBondContact O-N 3.29Å; E544-N548 VanDerWaalsContact O-N 3.1Å; E544-N548 PolarHBondContact O-ND2 3.16Å; E546-N548 PolarHBondContact O-N 2.88Å; N548-I552 VanDerWaalsContact O-CD1 3.26Å; N548-I552 WeakPolarHBondContact O-CD1 3.27Å; N548-I552 VanDerWaalsContact O-CG1 3.23Å; N548-I552 WeakPolarHBondContact O-CG1 3.22Å
549N38.6Very low40Very low104 Ų104110.3 Ų110.356%0.55653%0.533SS*.Hα-helixtrans-76.6-44.8172.1-69.3-46.7000111E545 E546 R547 E551 I552 E553E545-N549 PolarHBondContact O-N 3.42Å; E545-N549 PolarHBondContact O-ND2 3.12Å; E546-N549 WeakPolarHBondContact O-CB 3.2Å; E546-N549 PolarHBondContact O-N 3.19Å; R547-N549 VanDerWaalsContact C-N 3.26Å; R547-N549 PolarHBondContact O-N 3.3Å; N549-E551 VanDerWaalsContact C-N 3.35Å; N549-E551 PolarHBondContact O-N 3.37Å; N549-I552 PolarHBondContact O-N 2.76Å; N549-I552 VanDerWaalsContact O-N 3.16Å; N549-E553 PolarHBondContact O-N 2.57Å
550D39.2Very low39.7Very low90 Ų90109.4 Ų109.448%0.48154%0.536SS..Hα-helixtrans-59.4-42.1179.2-66-18.9000112.1E546 R547 I552 E553 N554E546-D550 PolarHBondContact O-N 3.1Å; E546-D550 VanDerWaalsContact O-N 3.12Å; R547-D550 PolarHBondContact O-N 3.4Å; D550-I552 PolarHBondContact O-N 2.91Å; D550-E553 PolarHBondContact O-N 3.06Å; D550-N554 WeakPolarHBondContact O-CB 3.34Å; D550-N554 PolarHBondContact O-N 3.34Å; D550-N554 PolarHBondContact O-ND2 2.95Å
551E41.6Very low39.6Very low111 Ų111115 Ų11552%0.51956%0.562SS.*Hα-helixtrans-62.4-41.4175.9-74.8-177.2171.100112.3R547 N549 Q555R547-E551 PolarHBondContact O-N 2.98Å; R547-E551 VanDerWaalsContact O-N 3.1Å; N549-E551 VanDerWaalsContact C-N 3.35Å; N549-E551 PolarHBondContact O-N 3.37Å; E551-Q555 WeakPolarHBondContact O-CG 3.32Å; E551-Q555 PolarHBondContact O-N 3.39Å; E551-Q555 VanDerWaalsContact O-N 3.09Å
552I40.7Very low39.3Very low102 Ų102120.7 Ų120.752%0.52358%0.582SS.*Hα-helixtrans-68.6-42.4179.5-69.9171.4000110.8N548 N549 D550 Q555 Y556N548-I552 VanDerWaalsContact O-CD1 3.26Å; N548-I552 WeakPolarHBondContact O-CD1 3.27Å; N548-I552 VanDerWaalsContact O-CG1 3.23Å; N548-I552 WeakPolarHBondContact O-CG1 3.22Å; N549-I552 PolarHBondContact O-N 2.76Å; N549-I552 VanDerWaalsContact O-N 3.16Å; D550-I552 PolarHBondContact O-N 2.91Å; I552-Q555 PolarHBondContact O-N 3.23Å; I552-Y556 PolarHBondContact O-N 2.75Å
553E37.1Very low38.8Very low137 Ų137118.4 Ų118.464%0.6459%0.591SS**Hα-helixtrans-67.5-41.5-179.8-167.9159-128.700111.5N549 D550 Q555 Y556 V557N549-E553 PolarHBondContact O-N 2.57Å; D550-E553 PolarHBondContact O-N 3.06Å; E553-Q555 PolarHBondContact O-N 3.38Å; E553-Y556 WeakPolarHBondContact O-CB 3.3Å; E553-Y556 PolarHBondContact O-N 3.28Å; E553-Y556 VanDerWaalsContact O-N 3.11Å; E553-V557 WeakPolarHBondContact O-CG2 3.47Å; E553-V557 PolarHBondContact O-N 3.33Å
554N36.4Very low38.3Very low117 Ų117120 Ų12063%0.62661%0.609SS**Hα-helixtrans-63-40.6174.1-79.4-74.3000112.7D550 Y556 V557 A558D550-N554 WeakPolarHBondContact O-CB 3.34Å; D550-N554 PolarHBondContact O-N 3.34Å; D550-N554 PolarHBondContact O-ND2 2.95Å; N554-Y556 VanDerWaalsContact C-N 3.28Å; N554-Y556 PolarHBondContact O-N 3.14Å; N554-V557 PolarHBondContact O-N 3.09Å; N554-A558 PolarHBondContact O-N 3.17Å; N554-A558 VanDerWaalsContact O-N 3.14Å
555Q39.4Very low37.6Very low131 Ų131122.7 Ų122.761%0.61263%0.627SS**Hα-helixtrans-66.4-29.2173.2-73.3-176.43.600112.7E551 I552 E553 N559E551-Q555 WeakPolarHBondContact O-CG 3.32Å; E551-Q555 PolarHBondContact O-N 3.39Å; E551-Q555 VanDerWaalsContact O-N 3.09Å; I552-Q555 PolarHBondContact O-N 3.23Å; E553-Q555 PolarHBondContact O-N 3.38Å; Q555-N559 PolarHBondContact O-N 2.91Å; Q555-N559 PolarHBondContact O-ND2 3.12Å
556Y34.6Very low37Very low163 Ų163123 Ų12364%0.63964%0.638SS**Hα-helixtrans-73.7-29.1175.3-124.5-92.6000113.4I552 E553 N554 Q560I552-Y556 PolarHBondContact O-N 2.75Å; E553-Y556 WeakPolarHBondContact O-CB 3.3Å; E553-Y556 PolarHBondContact O-N 3.28Å; E553-Y556 VanDerWaalsContact O-N 3.11Å; N554-Y556 VanDerWaalsContact C-N 3.28Å; N554-Y556 PolarHBondContact O-N 3.14Å; Y556-Q560 WeakPolarHBondContact O-CG 3.11Å; Y556-Q560 PolarHBondContact O-NE2 3.02Å
557V39Very low36.2Very low100 Ų100128.7 Ų128.761%0.60666%0.655SS**Hα-helixtrans-76.7-42.5175.6173.80000111.3E553 N554 N559E553-V557 WeakPolarHBondContact O-CG2 3.47Å; E553-V557 PolarHBondContact O-N 3.33Å; N554-V557 PolarHBondContact O-N 3.09Å; V557-N559 PolarHBondContact O-N 3.25Å
558A37.2Very low35.5Very low74 Ų74132.3 Ų132.361%0.61267%0.67SS**Hα-helixtrans-62.5-38-178.500000113.6N554 Q560N554-A558 PolarHBondContact O-N 3.17Å; N554-A558 VanDerWaalsContact O-N 3.14Å; A558-Q560 VanDerWaalsContact C-N 3.34Å; A558-Q560 PolarHBondContact O-N 2.93Å
559N38.7Very low34.8Very low130 Ų130134.7 Ų134.770%0.69569%0.687SS**G310 helixtrans-83.93.8-171.9-74.2-61.8000115.4Q555 V557Q555-N559 PolarHBondContact O-N 2.91Å; Q555-N559 PolarHBondContact O-ND2 3.12Å; V557-N559 PolarHBondContact O-N 3.25Å
560Q37.6Very low34.3Very low144 Ų144141 Ų14167%0.67371%0.705SS**G310 helixtrans-89.31-176.6-78.5-1796800115.5Y556 A558Y556-Q560 WeakPolarHBondContact O-CG 3.11Å; Y556-Q560 PolarHBondContact O-NE2 3.02Å; A558-Q560 VanDerWaalsContact C-N 3.34Å; A558-Q560 PolarHBondContact O-N 2.93Å
561Q37.8Very low33.7Very low177 Ų177147.2 Ų147.283%0.82772%0.722SS**G310 helixtrans-92.9-4.1-177.1-67.3-160.8-11.100116.2
562H35.7Very low33.1Very low179 Ų179146.5 Ų146.583%0.82974%0.735SS**SBendtrans-127114.7173.8-77.9-62.5000113.6
563S30.6Very low32.6Very low115 Ų115149.3 Ų149.380%0.80475%0.745SS**  trans-68.3152.1163.440.40000110.8
564S32.6Very low32.3Very low97 Ų97149 Ų14968%0.67875%0.753SS**  cis-158.1168.78.344.50000112.7
565N28.2Very low32Very low146 Ų146149 Ų14978%0.78176%0.759SS**  trans70.970.4154.5-61.2-12.3000119.9
566T29.5Very low31.6Very low141 Ų141148.5 Ų148.587%0.86576%0.756SS**  -162.7143.2109.312.60000110.9
567R25.2Very low31.4Very low228 Ų228144.6 Ų144.686%0.8676%0.757SS**  trans-113.4125.9178.4-81-178.5172.8166-2.9110.8
568Y25.9Very low31.1Very low223 Ų223143.9 Ų143.988%0.87576%0.761SS**  trans-129.8113.4155.2-81.6-76.7000109.4
569T26.1Very low30.8Very low120 Ų120148.6 Ų148.674%0.73676%0.763SS**  trans-100.2108.8-17649.80000111.1
570Y26.8Very low30.5Very low237 Ų237146 Ų14693%0.92975%0.752SS**  trans-87.7115.9167.2-100.9-87.1000110.7
571R26.7Very low30.1Very low220 Ų220149.3 Ų149.383%0.8376%0.758SS**  trans-93.5116.4-179.9-139.7-180-168.2168.22.3109.5
572A29.2Very low29.8Very low96 Ų96144.2 Ų144.279%0.79374%0.742SS**  trans-91.8125.8175.400000111.1
573H30Very low29.5Very low160 Ų160142.2 Ų142.274%0.74173%0.728SS**  trans-132.7142.9169.5-76.9-69.3000110.8
574T30.9Very low29.7Very low130 Ų130138.2 Ų138.280%0.79870%0.7SS**  trans-94163.5-171.958.20000112.1
575P30.2Very low29.7Very low117 Ų117136.7 Ų136.776%0.7669%0.69SS**  -150.354.7107.738.7-20.9000114.2
576F31.1Very low30Very low122 Ų122134.7 Ų134.754%0.53568%0.679SS.*  trans-79-39.6-178.4-161-105.7000113.8A578 R579 V580F576-A578 PolarHBondContact O-N 3.02Å; F576-R579 PolarHBondContact O-N 3.17Å; F576-R579 VanDerWaalsContact O-N 3.07Å; F576-V580 HydrophobicContact CD1-CG2 3.9Å; F576-V580 HydrophobicContact CE1-CG2 3.77Å
577A30.8Very low30.2Very low80 Ų80130.4 Ų130.466%0.66166%0.658SS**G310 helixtrans-58.7-36.2-168.200000115.3R579A577-R579 PolarHBondContact O-N 3.15Å
578A31.5Very low30.5Very low85 Ų85121.3 Ų121.370%0.70263%0.631SS**G310 helixtrans-63.2-29179.200000112.8F576F576-A578 PolarHBondContact O-N 3.02Å
579R32.1Very low30.8Very low173 Ų173113.2 Ų113.265%0.65361%0.61SS**G310 helixtrans-102.711.5-167.3-137.3177.2-161.6176.15.1113.5R473 F576 A577R473-R579 PolarHBondContact NH1-O 3.33Å; F576-R579 PolarHBondContact O-N 3.17Å; F576-R579 VanDerWaalsContact O-N 3.07Å; A577-R579 PolarHBondContact O-N 3.15Å
580V31.4Very low31.2Very low76 Ų76114 Ų11446%0.46160%0.6SS.*THydrogen-bonded Turntrans-86.8-33172.3176.40000111F576 S582 Y583F576-V580 HydrophobicContact CD1-CG2 3.9Å; F576-V580 HydrophobicContact CE1-CG2 3.77Å; V580-S582 VanDerWaalsContact C-N 3.27Å; V580-S582 PolarHBondContact O-N 3.11Å; V580-Y583 PolarHBondContact O-N 2.67Å
581R29.7Very low31.5Very low213 Ų213106.4 Ų106.480%0.80458%0.575SS**THydrogen-bonded Turntrans-59.2-32.7-176.4-57.2-173.8-170.2-165.73.7113.6S584R581-S584 PolarHBondContact O-OG 3.13Å
582S32Very low31.8Very low70 Ų70100.4 Ų100.449%0.4956%0.559SS.*THydrogen-bonded Turntrans-83.1-10.4-177.862.50000115.5V580 S585V580-S582 VanDerWaalsContact C-N 3.27Å; V580-S582 PolarHBondContact O-N 3.11Å; S582-S585 PolarHBondContact O-OG 2.78Å
583Y29.7Very low32Very low137 Ų137100.4 Ų100.454%0.53755%0.546SS..THydrogen-bonded Turntrans-90.3-27.7178.7-92.1-96.1000112.7R473 V580R473-Y583 HydrophobicContact CB-CE1 4.39Å; V580-Y583 PolarHBondContact O-N 2.67Å
584S34.3Very low32.2Very low31 Ų3199.5 Ų99.522%0.21754%0.542CS..Hα-helixtrans-73.4-25.8-177.744.30000115.1R538 R581 A588R538-S584 VanDerWaalsContact NH2-CB 3.3Å; R538-S584 PolarHBondContact NH2-OG 3.4Å; R581-S584 PolarHBondContact O-OG 3.13Å; S584-A588 WeakPolarHBondContact O-CB 3.27Å; S584-A588 PolarHBondContact O-N 3.38Å
585S32.6Very low32.4Very low65 Ų6595 Ų9546%0.45551%0.514SS..Hα-helixtrans-66.4-48.8179.550.60000112S582 A587 A588 A589S582-S585 PolarHBondContact O-OG 2.78Å; S585-A587 PolarHBondContact O-N 3.3Å; S585-A588 PolarHBondContact O-N 2.93Å; S585-A589 WeakPolarHBondContact O-CB 3.19Å; S585-A589 PolarHBondContact O-N 2.9Å
586N34.2Very low32.6Very low105 Ų10597.4 Ų97.456%0.56151%0.508SS*.Hα-helixtrans-79.4-19.2-172.1-66.711.4000113.1R590N586-R590 WeakPolarHBondContact O-CG 3.48Å
587A34.4Very low32.7Very low51 Ų5197.7 Ų97.742%0.42151%0.514SS..Hα-helixtrans-75.4-49.5169.300000111.1S585 A589 R590 L591S585-A587 PolarHBondContact O-N 3.3Å; A587-A589 VanDerWaalsContact C-N 3.33Å; A587-A589 PolarHBondContact O-N 2.89Å; A587-R590 PolarHBondContact O-N 3.01Å; A587-R590 VanDerWaalsContact O-N 3.08Å; A587-L591 PolarHBondContact O-N 2.84Å
588A31.3Very low32.9Very low36 Ų3698.6 Ų98.630%0.29851%0.507SS..Hα-helixtrans-58.3-44.1177.700000112S584 S585 R590 L591 L592S584-A588 WeakPolarHBondContact O-CB 3.27Å; S584-A588 PolarHBondContact O-N 3.38Å; S585-A588 PolarHBondContact O-N 2.93Å; A588-R590 PolarHBondContact O-N 3.27Å; A588-L591 PolarHBondContact O-N 3.39Å; A588-L592 PolarHBondContact O-N 3.49Å
589A32.5Very low33.2Very low53 Ų53100.4 Ų100.444%0.43851%0.505SS..Hα-helixtrans-63.1-20177.600000114.6S585 A587S585-A589 WeakPolarHBondContact O-CB 3.19Å; S585-A589 PolarHBondContact O-N 2.9Å; A587-A589 VanDerWaalsContact C-N 3.33Å; A587-A589 PolarHBondContact O-N 2.89Å
590R33.6Very low33.5Very low136 Ų13696.4 Ų96.451%0.51350%0.504SS..Hα-helixtrans-88.4-38.3176.5-74.4179.4178.4169.45.6112.4H442 N586 A587 A588 L592 N593H442-R590 PolarHBondContact CD2-NH2 3.32Å; H442-R590 VanDerWaalsContact CD2-NH2 3.3Å; H442-R590 PolarHBondContact NE2-NH1 3.04Å; H442-R590 PolarHBondContact NE2-NH2 3.38Å; N586-R590 WeakPolarHBondContact O-CG 3.48Å; A587-R590 PolarHBondContact O-N 3.01Å; A587-R590 VanDerWaalsContact O-N 3.08Å; A588-R590 PolarHBondContact O-N 3.27Å; R590-L592 VanDerWaalsContact C-N 3.33Å; R590-N593 PolarHBondContact O-N 2.9Å
591L32.7Very low33.8Very low79 Ų7998.7 Ų98.741%0.41451%0.512SS..Hα-helixtrans-64-39.1172.5-71.1164000111.4A587 A588 N593 H594 T595A587-L591 PolarHBondContact O-N 2.84Å; A588-L591 PolarHBondContact O-N 3.39Å; L591-N593 PolarHBondContact O-N 3.46Å; L591-N593 VanDerWaalsContact O-N 3.13Å; L591-H594 PolarHBondContact O-N 3.13Å; L591-T595 PolarHBondContact O-N 3.45Å
592L33Very low34.1Very low94 Ų9493.9 Ų93.949%0.49251%0.509SS..Hα-helixtrans-60.8-18.3175.2-111.4123.4000115.2A588 R590 T595A588-L592 PolarHBondContact O-N 3.49Å; R590-L592 VanDerWaalsContact C-N 3.33Å; L592-T595 PolarHBondContact O-OG1 3.06Å
593N34.7Very low34.6Very low96 Ų9695.2 Ų95.251%0.51352%0.518SS..Hα-helixtrans-90.5-15.9174.1-79.9-25.7000113R590 L591R590-N593 PolarHBondContact O-N 2.9Å; L591-N593 PolarHBondContact O-N 3.46Å; L591-N593 VanDerWaalsContact O-N 3.13Å
594H33.9Very low35Very low141 Ų14195.9 Ų95.965%0.65353%0.531SS*.Hα-helixtrans-85-34.6171.3-94-93000112.3L591 R596 L597L591-H594 PolarHBondContact O-N 3.13Å; H594-R596 VanDerWaalsContact C-N 3.29Å; H594-R596 PolarHBondContact O-N 3.36Å; H594-L597 PolarHBondContact O-N 3.48Å
595T35Very low35.5Very low35 Ų3595.9 Ų95.922%0.21554%0.536CS..Hα-helixtrans-63.6-35.1176.156.90000112.3L591 L592 L597 L598 D599L591-T595 PolarHBondContact O-N 3.45Å; L592-T595 PolarHBondContact O-OG1 3.06Å; T595-L597 PolarHBondContact O-N 3.33Å; T595-L598 WeakPolarHBondContact O-CA 3.4Å; T595-L598 PolarHBondContact O-N 2.75Å; T595-D599 VanDerWaalsContact O-CG 3.3Å; T595-D599 PolarHBondContact O-N 3.17Å
596R33.5Very low35.9Very low168 Ų16897.9 Ų97.963%0.63455%0.548SS*.THydrogen-bonded Turntrans-60.7-8.6175.2-78.6176.4164.9178.6-6.3115.9H594 D599H594-R596 VanDerWaalsContact C-N 3.29Å; H594-R596 PolarHBondContact O-N 3.36Å; R596-D599 WeakPolarHBondContact CA-OD2 3.19Å; R596-D599 PolarHBondContact N-OD2 3.14Å
597L34.4Very low36Very low127 Ų12796.4 Ų96.467%0.66555%0.55SS*.THydrogen-bonded Turntrans-98.9-6172.1-76.4163.2000113.3H594 T595 S600H594-L597 PolarHBondContact O-N 3.48Å; T595-L597 PolarHBondContact O-N 3.33Å; L597-S600 PolarHBondContact O-OG 3.23Å
598L35.5Very low36.1Very low99 Ų9996.2 Ų96.252%0.51855%0.548SS..THydrogen-bonded Turntrans-105.4-29.9173.6-64171.6000111.2T595 S600 I601T595-L598 WeakPolarHBondContact O-CA 3.4Å; T595-L598 PolarHBondContact O-N 2.75Å; L598-S600 PolarHBondContact O-N 3.11Å; L598-I601 HydrophobicContact CD2-CD1 4.4Å; L598-I601 PolarHBondContact O-N 3.26Å; L598-I601 VanDerWaalsContact O-N 3.11Å
599D36.5Very low36.4Very low123 Ų123101.2 Ų101.266%0.65857%0.565SS**THydrogen-bonded Turntrans-58.3-5.1172.2-60.3-34.2000114.2T595 R596T595-D599 VanDerWaalsContact O-CG 3.3Å; T595-D599 PolarHBondContact O-N 3.17Å; R596-D599 WeakPolarHBondContact CA-OD2 3.19Å; R596-D599 PolarHBondContact N-OD2 3.14Å
600S38Very low36.6Very low90 Ų90101.5 Ų101.563%0.62957%0.568SS**THydrogen-bonded Turntrans-976.5176.655.80000114.8L597 L598L597-S600 PolarHBondContact O-OG 3.23Å; L598-S600 PolarHBondContact O-N 3.11Å
601I37.5Very low36.6Very low123 Ų123100.9 Ų100.963%0.63157%0.574SS**SBendtrans-91.6123.3174-58.9175.2000108.6L598L598-I601 HydrophobicContact CD2-CD1 4.4Å; L598-I601 PolarHBondContact O-N 3.26Å; L598-I601 VanDerWaalsContact O-N 3.11Å
602P36.5Very low36.7Very low112 Ų112103.5 Ų103.573%0.72758%0.584SS**  trans-62.1139.2179.4-23.234.1000112.9D604P602-D604 VanDerWaalsContact C-N 3.26Å; P602-D604 PolarHBondContact O-N 3.26Å
603S43.4Very low36.8Very low99 Ų99104.1 Ų104.169%0.69259%0.592SS**SBendtrans-67.1-23.5179.748.80000114.4G605S603-G605 PolarHBondContact O-N 2.9Å
604D38.3Very low36.7Very low150 Ų150106.5 Ų106.580%0.80260%0.6SS**SBendtrans-105.964-162.6-56-2.8000110.5P602P602-D604 VanDerWaalsContact C-N 3.26Å; P602-D604 PolarHBondContact O-N 3.26Å
605G43.3Very low36.7Very low32 Ų32103.5 Ų103.533%0.3359%0.591SS.*SBendtrans-149.9151.4-177.900000114.5S603 A607 A608S603-G605 PolarHBondContact O-N 2.9Å; G605-A607 PolarHBondContact O-N 2.54Å; G605-A608 PolarHBondContact O-N 2.74Å
606P41.3Very low36.6Very low107 Ų107108.6 Ų108.670%0.69562%0.617SS**Hα-helixtrans-66.4-3.9-170.726.8-36.2000115.1A608 A610P606-A608 VanDerWaalsContact C-N 3.32Å; P606-A610 PolarHBondContact O-N 3.14Å
607A37.4Very low36.6Very low74 Ų74109 Ų10961%0.61263%0.626SS**Hα-helixtrans-72-25169.500000112.9G605G605-A607 PolarHBondContact O-N 2.54Å
608A36.3Very low36.3Very low47 Ų47109.6 Ų109.639%0.38863%0.629SS.*Hα-helixtrans-73.5-47177.100000111.6G605 P606 A610 L611 Q612G605-A608 PolarHBondContact O-N 2.74Å; P606-A608 VanDerWaalsContact C-N 3.32Å; A608-A610 VanDerWaalsContact C-N 3.27Å; A608-A610 PolarHBondContact O-N 2.99Å; A608-L611 PolarHBondContact O-N 2.93Å; A608-L611 VanDerWaalsContact O-N 3.11Å; A608-Q612 PolarHBondContact O-N 3.09Å; A608-Q612 VanDerWaalsContact O-N 3.09Å
609E37.7Very low35.9Very low140 Ų140108.4 Ų108.465%0.65463%0.629SS**Hα-helixtrans-61.5-36.2177.2-63.8178.3128.100111.7L611 Q612 V613E609-L611 VanDerWaalsContact C-N 3.29Å; E609-L611 PolarHBondContact O-N 2.96Å; E609-Q612 PolarHBondContact O-N 2.86Å; E609-V613 WeakPolarHBondContact O-CG2 3.43Å; E609-V613 PolarHBondContact O-N 3.13Å; E609-V613 VanDerWaalsContact O-N 3.1Å
610A36.5Very low35.5Very low59 Ų59111.1 Ų111.149%0.48864%0.638SS.*Hα-helixtrans-63.2-30.7175.600000113.8P606 A608P606-A610 PolarHBondContact O-N 3.14Å; A608-A610 VanDerWaalsContact C-N 3.27Å; A608-A610 PolarHBondContact O-N 2.99Å
611L34.1Very low35.1Very low123 Ų123111.2 Ų111.264%0.64464%0.639SS**Hα-helixtrans-78.2-38.4173.3-79.6161000111.8A608 E609 V613 Q614A608-L611 PolarHBondContact O-N 2.93Å; A608-L611 VanDerWaalsContact O-N 3.11Å; E609-L611 VanDerWaalsContact C-N 3.29Å; E609-L611 PolarHBondContact O-N 2.96Å; L611-V613 PolarHBondContact O-N 3.06Å; L611-Q614 PolarHBondContact O-N 3.1Å
612Q33.3Very low34.6Very low135 Ų135110.5 Ų110.563%0.63164%0.636SS**Hα-helixtrans-65.5-36.3-178.4-154.796.843.600112.6A608 E609 Q614 T615A608-Q612 PolarHBondContact O-N 3.09Å; A608-Q612 VanDerWaalsContact O-N 3.09Å; E609-Q612 PolarHBondContact O-N 2.86Å; Q612-Q614 VanDerWaalsContact C-N 3.31Å; Q612-Q614 PolarHBondContact O-N 3.21Å; Q612-T615 PolarHBondContact O-N 3.21Å; Q612-T615 PolarHBondContact O-OG1 2.64Å
613V34.5Very low34.1Very low107 Ų107114 Ų11465%0.64864%0.636SS**THydrogen-bonded Turntrans-71.7-23-179172.30000112.7E609 L611E609-V613 WeakPolarHBondContact O-CG2 3.43Å; E609-V613 PolarHBondContact O-N 3.13Å; E609-V613 VanDerWaalsContact O-N 3.1Å; L611-V613 PolarHBondContact O-N 3.06Å
614Q33.8Very low33.5Very low146 Ų146118 Ų11868%0.68264%0.641SS**THydrogen-bonded Turntrans-83.8-10.5178.9-65.6-165.9-63.600114.3L611 Q612L611-Q614 PolarHBondContact O-N 3.1Å; Q612-Q614 VanDerWaalsContact C-N 3.31Å; Q612-Q614 PolarHBondContact O-N 3.21Å
615T34.4Very low33.3Very low77 Ų77118.2 Ų118.247%0.47264%0.638SS.*THydrogen-bonded Turntrans-89.6-24.8-179.249.30000114.3Q612Q612-T615 PolarHBondContact O-N 3.21Å; Q612-T615 PolarHBondContact O-OG1 2.64Å
616D31.3Very low33.1Very low142 Ų142120.7 Ų120.776%0.75964%0.643SS**THydrogen-bonded Turntrans-84.2-12.5-172.7-75.6-1.1000114.2L618D616-L618 VanDerWaalsContact C-N 3.35Å
617E33.4Very low33.4Very low177 Ų177117.1 Ų117.183%0.82762%0.62SS**THydrogen-bonded Turntrans-83.9-4.4175.7-65.7-164.1139.400113.9S619E617-S619 PolarHBondContact O-N 2.63Å
618L29.1Very low34.2Very low139 Ų139116 Ų11673%0.72860%0.604SS**  trans-88.593.9-177.5-70172.8000112.3D616 Q620D616-L618 VanDerWaalsContact C-N 3.35Å; L618-Q620 PolarHBondContact O-N 3Å
619S27Very low35.8Very low74 Ų74114.1 Ų114.152%0.51759%0.588SS.*  trans-60.7130.8172.844.30000112.7E617 S621 D622E617-S619 PolarHBondContact O-N 2.63Å; S619-S621 PolarHBondContact O-N 2.9Å; S619-D622 PolarHBondContact O-N 3.31Å
620Q29.1Very low37.7Very low180 Ų180109 Ų10984%0.84156%0.564SS**THydrogen-bonded Turntrans-64.22.6-172.8-64.6178.7-21.100115.9L618L618-Q620 PolarHBondContact O-N 3Å
621S27.9Very low40.1Very low92 Ų92106.2 Ų106.264%0.64354%0.541SS*.THydrogen-bonded Turntrans-79.2-27.2173.850.20000113.7S619 Y623S619-S621 PolarHBondContact O-N 2.9Å; S621-Y623 PolarHBondContact O-N 2.74Å
622D27.4Very low42.9Very low108 Ų108103.8 Ų103.858%0.57852%0.523SS*.  trans-94.830.8-163.8-63.89.9000112.2S619 F624S619-D622 PolarHBondContact O-N 3.31Å; D622-F624 WeakPolarHBondContact O-CD2 3.49Å; D622-F624 PolarHBondContact O-N 3.47Å
623Y25.8Very low45.8Very low185 Ų185103.1 Ų103.173%0.72551%0.514SS*.  trans-70.779.3168.7-87.7-91.2000110S621 E625S621-Y623 PolarHBondContact O-N 2.74Å; Y623-E625 PolarHBondContact O-N 2.86Å
624F30.7Very low48.7Very low183 Ų18398.1 Ų98.180%0.80348%0.484SS*.  trans-48.3129169-81.3-93.8000110.4D622 L626D622-F624 WeakPolarHBondContact O-CD2 3.49Å; D622-F624 PolarHBondContact O-N 3.47Å; F624-L626 PolarHBondContact O-N 3.18Å
625E34.6Very low51.6Low156 Ų15692.2 Ų92.273%0.72946%0.457SS*.  trans-61.4101169.9-68.9-166.1135.300109.2Y623 P627Y623-E625 PolarHBondContact O-N 2.86Å; E625-P627 VanDerWaalsContact O-N 3.16Å
626L40.3Very low54.5Low84 Ų8488.6 Ų88.644%0.4444%0.435SS..  trans-53.1121.5169.8-82.9167.5000108F624 N628F624-L626 PolarHBondContact O-N 3.18Å; L626-N628 PolarHBondContact O-N 2.75Å; L626-N628 VanDerWaalsContact O-N 3.13Å
627P47.7Very low57.5Low32 Ų3282 Ų8221%0.20840%0.4CS..  trans-65.7118.8-164.925.1-34.9000110.3E625 S629 Y660E625-P627 VanDerWaalsContact O-N 3.16Å; P627-S629 PolarHBondContact O-N 3.09Å; P627-Y660 HydrophobicContact CB-CD1 4.41Å; P627-Y660 HydrophobicContact CB-CD2 3.53Å; P627-Y660 HydrophobicContact CB-CE1 4.21Å; P627-Y660 HydrophobicContact CB-CE2 3.3Å; P627-Y660 HydrophobicContact CB-CG 4.1Å
628N53.8Low60.2Low51 Ų5177.7 Ų77.727%0.27338%0.376SS..SBendtrans-59.5-7.8-178.4-64.4-33.5000114.3G511 V513 L626G511-N628 CarbonylContact C-O 3.31Å; G511-N628 VanDerWaalsContact C-O 3.31Å; G511-N628 WeakPolarHBondContact CA-O 3.44Å; V513-N628 HydrophobicContact CG2-CB 4.19Å; V513-N628 WeakPolarHBondContact CG2-OD1 3.44Å; L626-N628 PolarHBondContact O-N 2.75Å; L626-N628 VanDerWaalsContact O-N 3.13Å
629S69.5Low63.2Low7 Ų771 Ų715%0.04934%0.342CS..  trans-145.6139.3167.4-171.20000111.9L510 P627 L631 R632 A657L510-S629 WeakPolarHBondContact O-CB 3.5Å; L510-S629 PolarHBondContact O-OG 2.94Å; P627-S629 PolarHBondContact O-N 3.09Å; S629-L631 VanDerWaalsContact C-N 3.27Å; S629-L631 WeakPolarHBondContact OG-CB 3.41Å; S629-L631 PolarHBondContact OG-N 3.38Å; S629-R632 PolarHBondContact O-NH1 3.14Å; S629-A657 VanDerWaalsContact CB-O 3.25Å; S629-A657 WeakPolarHBondContact CB-O 3.42Å; S629-A657 PolarHBondContact OG-O 3.44Å; S629-A657 VanDerWaalsContact OG-O 3.14Å
630H77.2Confident65.9Low33 Ų3367.6 Ų67.615%0.15332%0.318CS..  trans-83.9-1.7173.4-61-110.1000112.5A484 M486 T487 E517 R632A484-H630 PolarHBondContact O-CD2 2.84Å; M486-H630 CarbonylContact O-C 3.59Å; T487-H630 WeakPolarHBondContact CA-O 3.38Å; E517-H630 IonicContact OE1-CE1 3.72Å; E517-H630 IonicContact OE2-CE1 3.09Å; E517-H630 PolarHBondContact OE2-CE1 3.38Å; E517-H630 IonicContact OE2-NE2 3.76Å; H630-R632 PolarHBondContact O-N 3.14Å; H630-R632 PolarHBondContact O-NH1 2.86Å; H630-R632 VanDerWaalsContact O-NH1 3.14Å
631L87.9Confident68.3Low0 Ų059.8 Ų59.80%028%0.282CS..  trans-62.1129.8-179.8-164.768.7000111.6M486 I489 L510 S629 R633 L634 L661M486-L631 VanDerWaalsContact O-CA 3.26Å; M486-L631 WeakPolarHBondContact O-CA 3.38Å; M486-L631 PolarHBondContact O-N 2.95Å; I489-L631 HydrophobicContact CB-CD1 4.15Å; I489-L631 HydrophobicContact CG2-CD1 3.85Å; I489-L631 HydrophobicContact CG2-CD2 4.36Å; L510-L631 HydrophobicContact CD1-CD2 4.42Å; S629-L631 VanDerWaalsContact C-N 3.27Å; S629-L631 WeakPolarHBondContact OG-CB 3.41Å; S629-L631 PolarHBondContact OG-N 3.38Å; L631-R633 WeakPolarHBondContact CD1-O 3.14Å; L631-L634 HydrophobicContact CD2-CB 4.49Å; L631-L661 HydrophobicContact CD2-CD1 4.16Å; L631-L661 HydrophobicContact CG-CD1 4.06Å
632R91.9Very high71Confident71 Ų7164.7 Ų64.727%0.26829%0.287SS..  trans-124.9-27.7176.8-56.5-58.9174.5-101.21.5112T487 S629 H630 Y660 L661 T662 T663T487-R632 CarbonylContact O-C 3.28Å; T487-R632 WeakPolarHBondContact O-CA 3.36Å; T487-R632 PolarHBondContact O-N 2.68Å; S629-R632 PolarHBondContact O-NH1 3.14Å; H630-R632 PolarHBondContact O-N 3.14Å; H630-R632 PolarHBondContact O-NH1 2.86Å; H630-R632 VanDerWaalsContact O-NH1 3.14Å; R632-Y660 WeakPolarHBondContact CD-O 3.28Å; R632-Y660 VanDerWaalsContact NH1-CB 3.31Å; R632-L661 WeakPolarHBondContact O-CD1 3.42Å; R632-T662 PolarHBondContact O-N 2.77Å; R632-T662 PolarHBondContact O-OG1 3.48Å; R632-T662 VanDerWaalsContact O-OG1 3.06Å; R632-T663 PolarHBondContact O-N 2.97Å
633R95.4Very high73.6Confident122 Ų12264.8 Ų64.846%0.4630%0.297SS..EExtended strand (participates in β ladder)trans-126.9133.7178.1-53.9-166.7148.6152.7-8.2112.3T487 S488 I489 L631 T663 E689T487-R633 PolarHBondContact O-N 2.68Å; S488-R633 CarbonylContact C-O 3.54Å; S488-R633 WeakPolarHBondContact CA-O 3.11Å; I489-R633 PolarHBondContact N-O 3.27Å; L631-R633 WeakPolarHBondContact CD1-O 3.14Å; R633-T663 WeakPolarHBondContact CA-O 3.49Å; R633-T663 HydrophobicContact CG-CG2 4.5Å; R633-T663 PolarHBondContact NE-OG1 3.37Å; R633-E689 IonicContact NH2-OE1 3.77Å; R633-E689 IonicContact NH2-OE2 2.64Å
634L94.7Very high76.5Confident2 Ų259 Ų591%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-137.4119.5178.9172.763.6000108.8I489 L491 L631 M636 F653 L661 T663 L664 R665I489-L634 HydrophobicContact CG2-CD1 3.45Å; I489-L634 VanDerWaalsContact CG2-CD1 3.45Å; L491-L634 HydrophobicContact CD1-CD1 4.09Å; L631-L634 HydrophobicContact CD2-CB 4.49Å; L634-M636 HydrophobicContact CD1-CG 3.81Å; L634-M636 HydrophobicContact CD1-SD 4.07Å; L634-M636 HydrophobicContact CD2-SD 4.06Å; L634-M636 HydrophobicContact CG-CG 4.19Å; L634-M636 HydrophobicContact CG-SD 4.32Å; L634-F653 HydrophobicContact CD1-CE1 4.27Å; L634-F653 HydrophobicContact CD1-CZ 4.33Å; L634-F653 HydrophobicContact CD2-CE1 3.73Å; L634-F653 HydrophobicContact CD2-CZ 4.45Å; L634-L661 HydrophobicContact CB-CD1 3.68Å; L634-L661 HydrophobicContact CB-CD2 4.03Å; L634-L661 HydrophobicContact CB-CG 4.49Å; L634-L661 HydrophobicContact CD2-CD2 4.27Å; L634-T663 PolarHBondContact N-O 2.92Å; L634-L664 HydrophobicContact CB-CD1 4.38Å; L634-L664 HydrophobicContact CD2-CD1 3.81Å; L634-L664 HydrophobicContact CG-CD1 4.16Å; L634-R665 PolarHBondContact O-N 3.3Å
635D95Very high79.5Confident22 Ų2250.4 Ų50.412%0.11824%0.239CC..EExtended strand (participates in β ladder)trans-107.4123.3165-145.5-48.3000109.2I489 L491 S637 R665I489-D635 PolarHBondContact O-N 2.8Å; L491-D635 WeakPolarHBondContact CA-O 3.21Å; L491-D635 WeakPolarHBondContact CB-O 3.39Å; L491-D635 PolarHBondContact N-O 2.93Å; D635-S637 VanDerWaalsContact OD1-CB 3.27Å; D635-S637 WeakPolarHBondContact OD1-CB 3.12Å; D635-S637 PolarHBondContact OD1-N 3.35Å; D635-S637 VanDerWaalsContact OD1-N 3.13Å; D635-S637 PolarHBondContact OD1-OG 2.97Å; D635-R665 HydrophobicContact CB-CB 4.45Å; D635-R665 WeakPolarHBondContact OD1-CB 3.42Å; D635-R665 WeakPolarHBondContact OD2-CB 3.23Å; D635-R665 WeakPolarHBondContact OD2-CD 3.46Å; D635-R665 IonicContact OD2-CZ 2.66Å; D635-R665 IonicContact OD2-NH1 3.11Å; D635-R665 PolarHBondContact OD2-NH1 2.74Å
636M94.7Very high82.3Confident0 Ų044.5 Ų44.50%022%0.216CC..  trans-128.116.4176.1-87.8-178.96900111L491 L498 L503 L634 C639 I645 F650 F653 R665 L666 C669 F671L491-M636 HydrophobicContact CB-CG 3.91Å; L491-M636 HydrophobicContact CD1-CG 3.78Å; L491-M636 HydrophobicContact CD1-SD 4.13Å; L491-M636 HydrophobicContact CG-CG 4.33Å; L498-M636 HydrophobicContact CD2-CE 4.16Å; L503-M636 HydrophobicContact CD1-CE 3.75Å; L503-M636 HydrophobicContact CD1-SD 4.12Å; L503-M636 HydrophobicContact CD2-CE 4.11Å; L634-M636 HydrophobicContact CD1-CG 3.81Å; L634-M636 HydrophobicContact CD1-SD 4.07Å; L634-M636 HydrophobicContact CD2-SD 4.06Å; L634-M636 HydrophobicContact CG-CG 4.19Å; L634-M636 HydrophobicContact CG-SD 4.32Å; M636-C639 WeakPolarHBondContact O-CB 3.41Å; M636-C639 PolarHBondContact O-N 2.95Å; M636-C639 VanDerWaalsContact O-N 3.15Å; M636-C639 PolarHBondContact O-SG 3.31Å; M636-I645 HydrophobicContact CE-CD1 4.11Å; M636-F650 HydrophobicContact CE-CD2 4.03Å; M636-F650 HydrophobicContact CE-CE2 4.19Å; M636-F650 HydrophobicContact SD-CD2 4.44Å; M636-F650 HydrophobicContact SD-CE2 4.14Å; M636-F653 HydrophobicContact SD-CD1 4.24Å; M636-F653 HydrophobicContact SD-CE1 3.73Å; M636-R665 PolarHBondContact N-O 3.34Å; M636-L666 HydrophobicContact CB-CD2 3.77Å; M636-C669 PolarHBondContact O-SG 3.23Å; M636-F671 HydrophobicContact CE-CZ 4.4Å
637S94.4Very high84.8Confident5 Ų542.9 Ų42.94%0.03521%0.21CC..THydrogen-bonded Turntrans-52.2144.1-178.5-54.90000111.7Q492 D635 C639 S667Q492-S637 WeakPolarHBondContact CG-O 3.27Å; D635-S637 VanDerWaalsContact OD1-CB 3.27Å; D635-S637 WeakPolarHBondContact OD1-CB 3.12Å; D635-S637 PolarHBondContact OD1-N 3.35Å; D635-S637 VanDerWaalsContact OD1-N 3.13Å; D635-S637 PolarHBondContact OD1-OG 2.97Å; S637-C639 PolarHBondContact O-N 3.08Å; S637-C639 VanDerWaalsContact O-N 3.09Å; S637-S667 CarbonylContact C-O 3.43Å; S637-S667 WeakPolarHBondContact CA-O 3.21Å; S637-S667 PolarHBondContact OG-N 3.22Å
638W91.2Very high87Confident85 Ų8545.9 Ų45.932%0.32223%0.228SC..THydrogen-bonded Turntrans62.63.3-176.9-52.580.8000116.3Q492 W495 N641 S667 I959Q492-W638 VanDerWaalsContact NE2-CD1 3.32Å; W495-W638 HydrophobicContact CG-CB 4.46Å; W638-N641 PolarHBondContact O-ND2 2.95Å; W638-S667 PolarHBondContact N-O 3Å; W638-I959 HydrophobicContact CH2-CD1 3.91Å; W638-I959 HydrophobicContact CZ2-CD1 4.4Å
639C90.9Very high88.9Confident0 Ų043.5 Ų43.50%022%0.216CC..THydrogen-bonded Turntrans-75.8161.9178.7-65.10000113.4L491 L498 M636 S637 N641 I645 F671L491-C639 PolarHBondContact O-SG 2.82Å; L491-C639 VanDerWaalsContact O-SG 3.4Å; L498-C639 HydrophobicContact CD2-CB 4.05Å; M636-C639 WeakPolarHBondContact O-CB 3.41Å; M636-C639 PolarHBondContact O-N 2.95Å; M636-C639 VanDerWaalsContact O-N 3.15Å; M636-C639 PolarHBondContact O-SG 3.31Å; S637-C639 PolarHBondContact O-N 3.08Å; S637-C639 VanDerWaalsContact O-N 3.09Å; C639-N641 VanDerWaalsContact C-N 3.28Å; C639-N641 PolarHBondContact O-N 3.09Å; C639-I645 HydrophobicContact CB-CD1 3.95Å; C639-F671 WeakPolarHBondContact O-CD1 3.29Å; C639-F671 WeakPolarHBondContact O-CE1 3.48Å
640G83.6Confident90.2Very high2 Ų243.2 Ų43.22%0.02121%0.213CC..THydrogen-bonded Turntrans71.217.8175.600000115.1S643G640-S643 PolarHBondContact O-N 2.96Å
641N80.6Confident90.9Very high16 Ų1641.8 Ų41.89%0.08621%0.207CC..G310 helixtrans-53.8153.7164.5-86.8-67.7000110.9W495 W638 C639 S643 M644 K670W495-N641 HydrophobicContact CE3-CB 4.3Å; W495-N641 HydrophobicContact CZ3-CB 4.14Å; W638-N641 PolarHBondContact O-ND2 2.95Å; C639-N641 VanDerWaalsContact C-N 3.28Å; C639-N641 PolarHBondContact O-N 3.09Å; N641-S643 PolarHBondContact O-N 3.06Å; N641-M644 WeakPolarHBondContact O-CG 3.48Å; N641-M644 PolarHBondContact O-N 3.45Å; N641-K670 WeakPolarHBondContact OD1-CD 3.21Å; N641-K670 WeakPolarHBondContact OD1-CE 3.5Å; N641-K670 PolarHBondContact OD1-NZ 3.15Å
642Y83Confident91.1Very high194 Ų19446.7 Ų46.776%0.76123%0.23SC*.G310 helixtrans55.428.1-176.8-44.9-72.2000114.5W495 M644W495-Y642 HydrophobicContact CZ3-CE2 4.49Å; Y642-M644 PolarHBondContact O-N 3.1Å; Y642-M644 VanDerWaalsContact O-N 3.17Å
643S82.9Confident91.1Very high111 Ų11143.3 Ų43.378%0.77622%0.218SC*.G310 helixtrans5726.3-178.6-56.20000114.3G640 N641 I645G640-S643 PolarHBondContact O-N 2.96Å; N641-S643 PolarHBondContact O-N 3.06Å; S643-I645 PolarHBondContact O-N 2.95Å
644M87.3Confident90.9Very high63 Ų6337.5 Ų37.531%0.3120%0.196SC..  trans-67.1-22.1177-69.5177.661.300113.2N499 D500 N641 Y642N499-M644 CarbonylContact C-O 3.55Å; N499-M644 WeakPolarHBondContact CA-O 3.4Å; N499-M644 HydrophobicContact CB-CB 4.24Å; N499-M644 HydrophobicContact CB-CE 4.22Å; N499-M644 WeakPolarHBondContact CB-O 3.39Å; D500-M644 PolarHBondContact N-O 3.01Å; D500-M644 VanDerWaalsContact N-O 3.1Å; N641-M644 WeakPolarHBondContact O-CG 3.48Å; N641-M644 PolarHBondContact O-N 3.45Å; Y642-M644 PolarHBondContact O-N 3.1Å; Y642-M644 VanDerWaalsContact O-N 3.17Å
645I92.3Very high90.7Very high2 Ų239.8 Ų39.81%0.0121%0.21CC..SBendtrans-115.7130.5173.2-59.3174.8000108.8L498 D500 L503 M636 C639 S643 F650 F671L498-I645 HydrophobicContact CB-CD1 4.42Å; L498-I645 HydrophobicContact CD2-CD1 3.84Å; L498-I645 HydrophobicContact CG-CD1 3.9Å; D500-I645 WeakPolarHBondContact OD1-CA 3.3Å; L503-I645 HydrophobicContact CD2-CD1 4.44Å; L503-I645 HydrophobicContact CD2-CG2 3.82Å; M636-I645 HydrophobicContact CE-CD1 4.11Å; C639-I645 HydrophobicContact CB-CD1 3.95Å; S643-I645 PolarHBondContact O-N 2.95Å; I645-F650 HydrophobicContact CG2-CB 4.31Å; I645-F671 HydrophobicContact CB-CD1 4.21Å; I645-F671 HydrophobicContact CB-CE1 4.43Å; I645-F671 HydrophobicContact CB-CG 4.24Å; I645-F671 HydrophobicContact CD1-CE1 4.38Å; I645-F671 HydrophobicContact CG2-CD1 4.38Å; I645-F671 HydrophobicContact CG2-CD2 3.95Å; I645-F671 HydrophobicContact CG2-CE1 4.33Å; I645-F671 HydrophobicContact CG2-CE2 3.93Å; I645-F671 HydrophobicContact CG2-CG 4.19Å; I645-F671 HydrophobicContact CG2-CZ 4.12Å; I645-F671 VanDerWaalsContact O-CB 3.27Å; I645-F671 WeakPolarHBondContact O-CB 3.33Å
646S93.2Very high90.2Very high33 Ų3341.1 Ų41.123%0.23122%0.217CC..  trans-94.9151.3173.368.20000112.1D500 T648 A649 F650D500-S646 PolarHBondContact OD1-N 3.48Å; D500-S646 PolarHBondContact OD1-OG 3.44Å; D500-S646 WeakPolarHBondContact OD2-CB 3.5Å; D500-S646 PolarHBondContact OD2-OG 3.42Å; S646-T648 PolarHBondContact O-N 2.9Å; S646-A649 PolarHBondContact O-N 3.2Å; S646-A649 WeakPolarHBondContact OG-CB 3.41Å; S646-A649 PolarHBondContact OG-N 2.75Å; S646-A649 VanDerWaalsContact OG-N 3.14Å; S646-F650 PolarHBondContact O-N 3.05Å; S646-F650 VanDerWaalsContact O-N 3.08Å
647P93.8Very high89.7Confident49 Ų4941.1 Ų41.132%0.31822%0.217SC..Hα-helixtrans-49.3-39.6169.8-3237.5000113.7G651 C676P647-G651 PolarHBondContact O-N 3.38Å; P647-C676 VanDerWaalsContact CA-SG 3.57Å; P647-C676 VanDerWaalsContact CB-SG 3.53Å
648T94.3Very high89.5Confident95 Ų9540.9 Ų40.958%0.58322%0.215SC*.Hα-helixtrans-68.3-47.6-178.5-48.20000112.1S646 F650 G651 H652S646-T648 PolarHBondContact O-N 2.9Å; T648-F650 VanDerWaalsContact C-N 3.3Å; T648-F650 PolarHBondContact O-N 3.49Å; T648-G651 PolarHBondContact O-N 3.14Å; T648-H652 PolarHBondContact O-CD2 3.23Å; T648-H652 PolarHBondContact O-N 3.35Å
649A93.8Very high89.2Confident2 Ų242.1 Ų42.12%0.01722%0.22CC..Hα-helixtrans-65.5-34.3177.400000112.5D500 I504 S646 F653D500-A649 HydrophobicContact CB-CB 3.77Å; D500-A649 WeakPolarHBondContact OD1-CB 3.26Å; I504-A649 HydrophobicContact CD1-CB 3.84Å; I504-A649 HydrophobicContact CG1-CB 4.09Å; S646-A649 PolarHBondContact O-N 3.2Å; S646-A649 WeakPolarHBondContact OG-CB 3.41Å; S646-A649 PolarHBondContact OG-N 2.75Å; S646-A649 VanDerWaalsContact OG-N 3.14Å; A649-F653 WeakPolarHBondContact O-CB 3.47Å; A649-F653 PolarHBondContact O-N 2.85Å
650F95.3Very high89.1Confident0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-65-44.9172179.2-112.4000112.1L503 M636 I645 S646 T648 H652 F653 L654 L666 F671 L672 C676 I680L503-F650 HydrophobicContact CD2-CB 4.48Å; M636-F650 HydrophobicContact CE-CD2 4.03Å; M636-F650 HydrophobicContact CE-CE2 4.19Å; M636-F650 HydrophobicContact SD-CD2 4.44Å; M636-F650 HydrophobicContact SD-CE2 4.14Å; I645-F650 HydrophobicContact CG2-CB 4.31Å; S646-F650 PolarHBondContact O-N 3.05Å; S646-F650 VanDerWaalsContact O-N 3.08Å; T648-F650 VanDerWaalsContact C-N 3.3Å; T648-F650 PolarHBondContact O-N 3.49Å; F650-H652 PolarHBondContact O-N 3.49Å; F650-F653 PolarHBondContact O-N 2.89Å; F650-L654 HydrophobicContact CD1-CD1 4.1Å; F650-L654 HydrophobicContact CE1-CD1 3.61Å; F650-L654 HydrophobicContact CE1-CG 4.25Å; F650-L654 HydrophobicContact CE2-CD1 4.44Å; F650-L654 HydrophobicContact CE2-CD2 4.17Å; F650-L654 HydrophobicContact CE2-CG 4.24Å; F650-L654 HydrophobicContact CZ-CD1 3.8Å; F650-L654 HydrophobicContact CZ-CD2 4.05Å; F650-L654 HydrophobicContact CZ-CG 4.07Å; F650-L654 WeakPolarHBondContact O-CG 3.38Å; F650-L654 PolarHBondContact O-N 3.27Å; F650-L666 HydrophobicContact CE2-CD2 3.97Å; F650-L666 HydrophobicContact CZ-CD1 3.93Å; F650-L666 HydrophobicContact CZ-CD2 3.94Å; F650-F671 HydrophobicContact CB-CD2 4.47Å; F650-F671 HydrophobicContact CB-CE2 3.78Å; F650-F671 AromaticContact CD1-CE2 3.98Å; F650-F671 HydrophobicContact CD1-CE2 3.98Å; F650-F671 AromaticContact CD2-CE2 3.93Å; F650-F671 HydrophobicContact CD2-CE2 3.93Å; F650-F671 HydrophobicContact CD2-CZ 4.07Å; F650-F671 HydrophobicContact CE2-CZ 4.42Å; F650-F671 AromaticContact CG-CE2 3.63Å; F650-F671 HydrophobicContact CG-CE2 3.63Å; F650-F671 HydrophobicContact CG-CZ 4.25Å; F650-L672 HydrophobicContact CD1-CD2 4.12Å; F650-L672 HydrophobicContact CE1-CD2 3.76Å; F650-L672 HydrophobicContact CZ-CD2 4.28Å; F650-C676 HydrophobicContact CD1-CB 4.17Å; F650-C676 HydrophobicContact CE1-CB 4.27Å; F650-I680 HydrophobicContact CE1-CD1 3.92Å; F650-I680 HydrophobicContact CE1-CG1 3.93Å; F650-I680 HydrophobicContact CZ-CD1 4.12Å; F650-I680 HydrophobicContact CZ-CG1 4.19Å
651G93.6Very high89.6Confident3 Ų344.5 Ų44.53%0.03123%0.229CC..Hα-helixtrans-58.6-43.817400000113.3P647 T648 L654 T655P647-G651 PolarHBondContact O-N 3.38Å; T648-G651 PolarHBondContact O-N 3.14Å; G651-L654 PolarHBondContact O-N 2.84Å; G651-T655 WeakPolarHBondContact O-CB 3.41Å; G651-T655 PolarHBondContact O-N 2.99Å; G651-T655 PolarHBondContact O-OG1 3.15Å
652H91.5Very high90.4Very high104 Ų10445.3 Ų45.348%0.48123%0.234SC..Hα-helixtrans-60.8-46.8173.1-73.5-60.3000112.1T648 F650 L654 T655 D656T648-H652 PolarHBondContact O-CD2 3.23Å; T648-H652 PolarHBondContact O-N 3.35Å; F650-H652 PolarHBondContact O-N 3.49Å; H652-L654 PolarHBondContact O-N 3.35Å; H652-T655 WeakPolarHBondContact O-CB 3.32Å; H652-T655 PolarHBondContact O-N 2.87Å; H652-T655 VanDerWaalsContact O-N 3.12Å; H652-D656 PolarHBondContact O-N 2.79Å
653F91.7Very high91.1Very high0 Ų036.3 Ų36.30%020%0.199CC..Hα-helixtrans-59.5-43.2178.4172.3-105000113L491 L503 L506 L510 L634 M636 A649 F650 T655 D656 A657L491-F653 HydrophobicContact CD1-CZ 4.42Å; L503-F653 HydrophobicContact CD1-CB 4.34Å; L503-F653 HydrophobicContact CD1-CD1 3.79Å; L503-F653 HydrophobicContact CD1-CD2 3.78Å; L503-F653 HydrophobicContact CD1-CE1 3.96Å; L503-F653 HydrophobicContact CD1-CE2 3.97Å; L503-F653 HydrophobicContact CD1-CG 3.69Å; L503-F653 HydrophobicContact CD1-CZ 4.06Å; L503-F653 HydrophobicContact CD2-CB 4.08Å; L503-F653 HydrophobicContact CD2-CD1 4.48Å; L503-F653 HydrophobicContact CD2-CG 4.28Å; L503-F653 HydrophobicContact CG-CB 3.79Å; L503-F653 HydrophobicContact CG-CD1 4.17Å; L503-F653 HydrophobicContact CG-CD2 3.93Å; L503-F653 HydrophobicContact CG-CG 3.69Å; L503-F653 VanDerWaalsContact O-CD2 3.28Å; L503-F653 WeakPolarHBondContact O-CD2 3.33Å; L506-F653 HydrophobicContact CB-CE2 4.37Å; L506-F653 HydrophobicContact CD2-CE2 4.25Å; L506-F653 HydrophobicContact CG-CE2 4.16Å; L510-F653 HydrophobicContact CD1-CE2 4.25Å; L510-F653 HydrophobicContact CD1-CZ 4.4Å; L634-F653 HydrophobicContact CD1-CE1 4.27Å; L634-F653 HydrophobicContact CD1-CZ 4.33Å; L634-F653 HydrophobicContact CD2-CE1 3.73Å; L634-F653 HydrophobicContact CD2-CZ 4.45Å; M636-F653 HydrophobicContact SD-CD1 4.24Å; M636-F653 HydrophobicContact SD-CE1 3.73Å; A649-F653 WeakPolarHBondContact O-CB 3.47Å; A649-F653 PolarHBondContact O-N 2.85Å; F650-F653 PolarHBondContact O-N 2.89Å; F653-T655 VanDerWaalsContact C-N 3.34Å; F653-T655 PolarHBondContact O-N 2.77Å; F653-D656 PolarHBondContact O-N 2.97Å; F653-A657 HydrophobicContact CE2-CB 4.42Å; F653-A657 WeakPolarHBondContact O-CB 3.45Å; F653-A657 PolarHBondContact O-N 3.18Å
654L91.9Very high91.8Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-61.1-42.8173.4-67.6177.6000111.9F650 G651 H652 D656 A657 C658 I680 T683F650-L654 HydrophobicContact CD1-CD1 4.1Å; F650-L654 HydrophobicContact CE1-CD1 3.61Å; F650-L654 HydrophobicContact CE1-CG 4.25Å; F650-L654 HydrophobicContact CE2-CD1 4.44Å; F650-L654 HydrophobicContact CE2-CD2 4.17Å; F650-L654 HydrophobicContact CE2-CG 4.24Å; F650-L654 HydrophobicContact CZ-CD1 3.8Å; F650-L654 HydrophobicContact CZ-CD2 4.05Å; F650-L654 HydrophobicContact CZ-CG 4.07Å; F650-L654 WeakPolarHBondContact O-CG 3.38Å; F650-L654 PolarHBondContact O-N 3.27Å; G651-L654 PolarHBondContact O-N 2.84Å; H652-L654 PolarHBondContact O-N 3.35Å; L654-D656 PolarHBondContact O-N 3.07Å; L654-A657 PolarHBondContact O-N 2.95Å; L654-C658 HydrophobicContact CB-CB 4.35Å; L654-C658 HydrophobicContact CD2-CB 3.76Å; L654-C658 WeakPolarHBondContact O-CB 3.39Å; L654-C658 PolarHBondContact O-N 2.61Å; L654-I680 HydrophobicContact CD1-CB 4.46Å; L654-I680 HydrophobicContact CD1-CG1 3.64Å; L654-T683 HydrophobicContact CB-CG2 4.09Å; L654-T683 WeakPolarHBondContact O-CG2 3.41Å
655T88.8Confident92.3Very high49 Ų4932.6 Ų32.630%0.30117%0.165SC..Hα-helixtrans-65-38.2-178.2-58.60000112.6G651 H652 F653 R659G651-T655 WeakPolarHBondContact O-CB 3.41Å; G651-T655 PolarHBondContact O-N 2.99Å; G651-T655 PolarHBondContact O-OG1 3.15Å; H652-T655 WeakPolarHBondContact O-CB 3.32Å; H652-T655 PolarHBondContact O-N 2.87Å; H652-T655 VanDerWaalsContact O-N 3.12Å; F653-T655 VanDerWaalsContact C-N 3.34Å; F653-T655 PolarHBondContact O-N 2.77Å; T655-R659 PolarHBondContact O-NE 3.27Å; T655-R659 VanDerWaalsContact O-NE 3.12Å; T655-R659 PolarHBondContact O-NH2 2.92Å
656D85Confident92.5Very high50 Ų5032.5 Ų32.527%0.26717%0.165SC..Hα-helixtrans-71.5-47.7176.5-75-6.7000111.8K508 G511 H652 F653 L654K508-D656 WeakPolarHBondContact CG-OD2 3.21Å; K508-D656 PolarHBondContact N-OD2 3.16Å; G511-D656 VanDerWaalsContact CA-O 3.27Å; G511-D656 WeakPolarHBondContact CA-O 3.41Å; H652-D656 PolarHBondContact O-N 2.79Å; F653-D656 PolarHBondContact O-N 2.97Å; L654-D656 PolarHBondContact O-N 3.07Å
657A85.4Confident92.7Very high1 Ų131.9 Ų31.91%0.00816%0.16CC..Hα-helixtrans-119.5-15.2-160.700000116.8L510 S629 F653 L654L510-A657 HydrophobicContact CB-CB 3.72Å; L510-A657 HydrophobicContact CD1-CB 4.43Å; S629-A657 VanDerWaalsContact CB-O 3.25Å; S629-A657 WeakPolarHBondContact CB-O 3.42Å; S629-A657 PolarHBondContact OG-O 3.44Å; S629-A657 VanDerWaalsContact OG-O 3.14Å; F653-A657 HydrophobicContact CE2-CB 4.42Å; F653-A657 WeakPolarHBondContact O-CB 3.45Å; F653-A657 PolarHBondContact O-N 3.18Å; L654-A657 PolarHBondContact O-N 2.95Å
658C88.8Confident92.7Very high0 Ų030.4 Ų30.40%015%0.151CC..  trans-116.710.6-161.5-58.80000116.1L654 Y660 L661 C684L654-C658 HydrophobicContact CB-CB 4.35Å; L654-C658 HydrophobicContact CD2-CB 3.76Å; L654-C658 WeakPolarHBondContact O-CB 3.39Å; L654-C658 PolarHBondContact O-N 2.61Å; C658-Y660 PolarHBondContact O-N 3.23Å; C658-L661 HydrophobicContact CB-CB 4.22Å; C658-L661 HydrophobicContact CB-CD2 4.28Å; C658-L661 WeakPolarHBondContact O-CB 3.33Å; C658-L661 PolarHBondContact O-N 3.03Å; C658-C684 PolarHBondContact O-SG 2.93Å
659R86.6Confident92.7Very high110 Ų11025.9 Ų25.942%0.41512%0.123SC..THydrogen-bonded Turntrans-54.8-29.2-173.7-59.5-175.1-172.7-161.4-1.3115.8T655 T683T655-R659 PolarHBondContact O-NE 3.27Å; T655-R659 VanDerWaalsContact O-NE 3.12Å; T655-R659 PolarHBondContact O-NH2 2.92Å; R659-T683 WeakPolarHBondContact CA-O 3.38Å
660Y88.9Confident92.5Very high52 Ų5233.2 Ų33.220%0.20416%0.155CC..THydrogen-bonded Turntrans-110.520.2-178.3-58.7-84.5000113P627 R632 C658 Y686P627-Y660 HydrophobicContact CB-CD1 4.41Å; P627-Y660 HydrophobicContact CB-CD2 3.53Å; P627-Y660 HydrophobicContact CB-CE1 4.21Å; P627-Y660 HydrophobicContact CB-CE2 3.3Å; P627-Y660 HydrophobicContact CB-CG 4.1Å; R632-Y660 WeakPolarHBondContact CD-O 3.28Å; R632-Y660 VanDerWaalsContact NH1-CB 3.31Å; C658-Y660 PolarHBondContact O-N 3.23Å; Y660-Y686 HydrophobicContact CD1-CD2 4.15Å; Y660-Y686 AromaticContact CD1-CE2 3.94Å; Y660-Y686 HydrophobicContact CD1-CE2 3.94Å; Y660-Y686 HydrophobicContact CE1-CE2 4.22Å
661L93.5Very high92.4Very high0 Ų034.1 Ų34.10%016%0.159CC..  trans-67.1131.1-177.7-164.475.9000111.3L631 R632 L634 C658 T663 L664 C684 Y686 I687L631-L661 HydrophobicContact CD2-CD1 4.16Å; L631-L661 HydrophobicContact CG-CD1 4.06Å; R632-L661 WeakPolarHBondContact O-CD1 3.42Å; L634-L661 HydrophobicContact CB-CD1 3.68Å; L634-L661 HydrophobicContact CB-CD2 4.03Å; L634-L661 HydrophobicContact CB-CG 4.49Å; L634-L661 HydrophobicContact CD2-CD2 4.27Å; C658-L661 HydrophobicContact CB-CB 4.22Å; C658-L661 HydrophobicContact CB-CD2 4.28Å; C658-L661 WeakPolarHBondContact O-CB 3.33Å; C658-L661 PolarHBondContact O-N 3.03Å; L661-T663 WeakPolarHBondContact CG-O 3.23Å; L661-L664 HydrophobicContact CD2-CB 3.7Å; L661-L664 HydrophobicContact CD2-CD1 3.85Å; L661-L664 HydrophobicContact CD2-CD2 4.3Å; L661-L664 HydrophobicContact CD2-CG 4.15Å; L661-C684 HydrophobicContact CB-CB 4.5Å; L661-Y686 CarbonylContact O-C 3.31Å; L661-Y686 VanDerWaalsContact O-C 3.31Å; L661-I687 WeakPolarHBondContact O-CG1 3.32Å; L661-I687 PolarHBondContact O-N 2.78Å
662T96.4Very high92.5Very high33 Ų3334.1 Ų34.120%0.20216%0.158CC..SBendtrans-107.9-26.3177.161.60000112.9R632 K688 E689R632-T662 PolarHBondContact O-N 2.77Å; R632-T662 PolarHBondContact O-OG1 3.48Å; R632-T662 VanDerWaalsContact O-OG1 3.06Å; T662-K688 PolarHBondContact O-N 3.45Å; T662-E689 PolarHBondContact O-N 3.46Å
663T97.9Very high92.7Very high5 Ų531.3 Ų31.33%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-125.5121.7177.1-51.80000109.6R632 R633 L634 L661 R665 E689R632-T663 PolarHBondContact O-N 2.97Å; R633-T663 WeakPolarHBondContact CA-O 3.49Å; R633-T663 HydrophobicContact CG-CG2 4.5Å; R633-T663 PolarHBondContact NE-OG1 3.37Å; L634-T663 PolarHBondContact N-O 2.92Å; L661-T663 WeakPolarHBondContact CG-O 3.23Å; T663-R665 HydrophobicContact CG2-CG 4.47Å; T663-E689 WeakPolarHBondContact CA-O 3.33Å; T663-E689 WeakPolarHBondContact CB-OE2 3.35Å; T663-E689 HydrophobicContact CG2-CB 3.94Å; T663-E689 WeakPolarHBondContact CG2-OE2 3.45Å; T663-E689 VanDerWaalsContact OG1-CD 3.31Å; T663-E689 PolarHBondContact OG1-OE2 2.95Å
664L97.8Very high92.9Very high0 Ų033.2 Ų33.20%016%0.157CC..EExtended strand (participates in β ladder)trans-128.8117.6175.9179.354.8000109.6L634 L661 L666 I680 I687 E689 L690 D691L634-L664 HydrophobicContact CB-CD1 4.38Å; L634-L664 HydrophobicContact CD2-CD1 3.81Å; L634-L664 HydrophobicContact CG-CD1 4.16Å; L661-L664 HydrophobicContact CD2-CB 3.7Å; L661-L664 HydrophobicContact CD2-CD1 3.85Å; L661-L664 HydrophobicContact CD2-CD2 4.3Å; L661-L664 HydrophobicContact CD2-CG 4.15Å; L664-L666 HydrophobicContact CD1-CD1 3.93Å; L664-L666 HydrophobicContact CD1-CD2 4.2Å; L664-L666 HydrophobicContact CD1-CG 3.88Å; L664-L666 HydrophobicContact CD2-CD1 3.88Å; L664-L666 HydrophobicContact CG-CD1 3.78Å; L664-L666 HydrophobicContact CG-CG 4.06Å; L664-I680 HydrophobicContact CD2-CB 4.38Å; L664-I680 HydrophobicContact CD2-CD1 3.87Å; L664-I680 HydrophobicContact CD2-CG1 3.88Å; L664-I680 HydrophobicContact CD2-CG2 3.56Å; L664-I687 HydrophobicContact CB-CD1 4.19Å; L664-I687 HydrophobicContact CD2-CD1 3.91Å; L664-E689 PolarHBondContact N-O 3Å; L664-L690 HydrophobicContact CB-CD1 4.05Å; L664-L690 HydrophobicContact CD2-CD1 4.02Å; L664-L690 HydrophobicContact CG-CD1 4.07Å; L664-L690 WeakPolarHBondContact O-CA 3.4Å; L664-D691 PolarHBondContact O-N 2.68Å
665R97.9Very high93.1Very high97 Ų9737.9 Ų37.937%0.36618%0.182SC..EExtended strand (participates in β ladder)trans-118.2131.1172.2-58.5-153.9-162.1109.6-9112.4L634 D635 M636 T663 D691L634-R665 PolarHBondContact O-N 3.3Å; D635-R665 HydrophobicContact CB-CB 4.45Å; D635-R665 WeakPolarHBondContact OD1-CB 3.42Å; D635-R665 WeakPolarHBondContact OD2-CB 3.23Å; D635-R665 WeakPolarHBondContact OD2-CD 3.46Å; D635-R665 IonicContact OD2-CZ 2.66Å; D635-R665 IonicContact OD2-NH1 3.11Å; D635-R665 PolarHBondContact OD2-NH1 2.74Å; M636-R665 PolarHBondContact N-O 3.34Å; T663-R665 HydrophobicContact CG2-CG 4.47Å; R665-D691 HydrophobicContact CB-CB 3.93Å; R665-D691 HydrophobicContact CG-CB 3.79Å
666L97Very high93.4Very high0 Ų035.7 Ų35.70%017%0.168CC..  trans-14026.6-173-64.3163.6000111.4M636 F650 L664 S668 C669 L672 I680 D691 L692 C695M636-L666 HydrophobicContact CB-CD2 3.77Å; F650-L666 HydrophobicContact CE2-CD2 3.97Å; F650-L666 HydrophobicContact CZ-CD1 3.93Å; F650-L666 HydrophobicContact CZ-CD2 3.94Å; L664-L666 HydrophobicContact CD1-CD1 3.93Å; L664-L666 HydrophobicContact CD1-CD2 4.2Å; L664-L666 HydrophobicContact CD1-CG 3.88Å; L664-L666 HydrophobicContact CD2-CD1 3.88Å; L664-L666 HydrophobicContact CG-CD1 3.78Å; L664-L666 HydrophobicContact CG-CG 4.06Å; L666-S668 PolarHBondContact O-N 3.45Å; L666-C669 HydrophobicContact CB-CB 4.3Å; L666-C669 WeakPolarHBondContact O-CB 3.27Å; L666-C669 PolarHBondContact O-N 2.77Å; L666-C669 VanDerWaalsContact O-N 3.11Å; L666-C669 PolarHBondContact O-SG 2.65Å; L666-L672 HydrophobicContact CB-CD1 3.78Å; L666-L672 HydrophobicContact CD1-CD1 3.93Å; L666-L672 HydrophobicContact CD1-CD2 4.4Å; L666-L672 HydrophobicContact CG-CD1 4.32Å; L666-I680 HydrophobicContact CD1-CD1 3.61Å; L666-D691 PolarHBondContact N-O 3.36Å; L666-L692 HydrophobicContact CB-CD2 4.39Å; L666-L692 HydrophobicContact CD1-CD2 4.09Å; L666-C695 PolarHBondContact O-SG 2.97Å
667S96.4Very high93.9Very high20 Ų2033.3 Ų33.314%0.1416%0.156CC..THydrogen-bonded Turntrans-54.4131.8-1761770000111.3S637 W638 C669 S693S637-S667 CarbonylContact C-O 3.43Å; S637-S667 WeakPolarHBondContact CA-O 3.21Å; S637-S667 PolarHBondContact OG-N 3.22Å; W638-S667 PolarHBondContact N-O 3Å; S667-C669 VanDerWaalsContact C-N 3.26Å; S667-C669 PolarHBondContact O-N 2.98Å; S667-S693 CarbonylContact C-O 3.3Å; S667-S693 WeakPolarHBondContact CA-O 3.35Å
668S94.3Very high94.4Very high18 Ų1836.3 Ų36.313%0.12617%0.171CC..THydrogen-bonded Turntrans60.721-178.9-54.30000116.4L666 K670 S693L666-S668 PolarHBondContact O-N 3.45Å; S668-K670 PolarHBondContact O-N 3.45Å; S668-K670 VanDerWaalsContact O-N 3.08Å; S668-S693 PolarHBondContact N-O 3.09Å
669C94.3Very high94.7Very high0 Ų040.3 Ų40.30%019%0.189CC..  trans-74.891.7175.5-75.70000112.8M636 L666 S667 F671 L672M636-C669 PolarHBondContact O-SG 3.23Å; L666-C669 HydrophobicContact CB-CB 4.3Å; L666-C669 WeakPolarHBondContact O-CB 3.27Å; L666-C669 PolarHBondContact O-N 2.77Å; L666-C669 VanDerWaalsContact O-N 3.11Å; L666-C669 PolarHBondContact O-SG 2.65Å; S667-C669 VanDerWaalsContact C-N 3.26Å; S667-C669 PolarHBondContact O-N 2.98Å; C669-F671 HydrophobicContact CB-CD1 4.08Å; C669-F671 HydrophobicContact CB-CE1 3.61Å; C669-F671 HydrophobicContact CB-CZ 4.21Å; C669-F671 PolarHBondContact O-N 3.31Å; C669-L672 HydrophobicContact CB-CD1 3.71Å; C669-L672 HydrophobicContact CB-CG 3.9Å; C669-L672 PolarHBondContact O-N 3.12Å; C669-L672 VanDerWaalsContact O-N 3.17Å
670K90.8Very high95.2Very high156 Ų15635.1 Ų35.168%0.67817%0.17SC*.THydrogen-bonded Turntrans-62.5-13.3-175.3-64.7178.8-174.1156.60116.3N641 S668N641-K670 WeakPolarHBondContact OD1-CD 3.21Å; N641-K670 WeakPolarHBondContact OD1-CE 3.5Å; N641-K670 PolarHBondContact OD1-NZ 3.15Å; S668-K670 PolarHBondContact O-N 3.45Å; S668-K670 VanDerWaalsContact O-N 3.08Å
671F92.9Very high95.5Very high19 Ų1933 Ų338%0.08316%0.162CC..THydrogen-bonded Turntrans-85.1-9178.669.5-88.6000113.4M636 C639 I645 F650 C669M636-F671 HydrophobicContact CE-CZ 4.4Å; C639-F671 WeakPolarHBondContact O-CD1 3.29Å; C639-F671 WeakPolarHBondContact O-CE1 3.48Å; I645-F671 HydrophobicContact CB-CD1 4.21Å; I645-F671 HydrophobicContact CB-CE1 4.43Å; I645-F671 HydrophobicContact CB-CG 4.24Å; I645-F671 HydrophobicContact CD1-CE1 4.38Å; I645-F671 HydrophobicContact CG2-CD1 4.38Å; I645-F671 HydrophobicContact CG2-CD2 3.95Å; I645-F671 HydrophobicContact CG2-CE1 4.33Å; I645-F671 HydrophobicContact CG2-CE2 3.93Å; I645-F671 HydrophobicContact CG2-CG 4.19Å; I645-F671 HydrophobicContact CG2-CZ 4.12Å; I645-F671 VanDerWaalsContact O-CB 3.27Å; I645-F671 WeakPolarHBondContact O-CB 3.33Å; F650-F671 HydrophobicContact CB-CD2 4.47Å; F650-F671 HydrophobicContact CB-CE2 3.78Å; F650-F671 AromaticContact CD1-CE2 3.98Å; F650-F671 HydrophobicContact CD1-CE2 3.98Å; F650-F671 AromaticContact CD2-CE2 3.93Å; F650-F671 HydrophobicContact CD2-CE2 3.93Å; F650-F671 HydrophobicContact CD2-CZ 4.07Å; F650-F671 HydrophobicContact CE2-CZ 4.42Å; F650-F671 AromaticContact CG-CE2 3.63Å; F650-F671 HydrophobicContact CG-CE2 3.63Å; F650-F671 HydrophobicContact CG-CZ 4.25Å; C669-F671 HydrophobicContact CB-CD1 4.08Å; C669-F671 HydrophobicContact CB-CE1 3.61Å; C669-F671 HydrophobicContact CB-CZ 4.21Å; C669-F671 PolarHBondContact O-N 3.31Å
672L95.4Very high95.5Very high3 Ų337.5 Ų37.52%0.01619%0.187CC..  trans-76.6136.6-177.8-66176.2000112.3F650 L666 C669 C676 L692 C695 G697 I698F650-L672 HydrophobicContact CD1-CD2 4.12Å; F650-L672 HydrophobicContact CE1-CD2 3.76Å; F650-L672 HydrophobicContact CZ-CD2 4.28Å; L666-L672 HydrophobicContact CB-CD1 3.78Å; L666-L672 HydrophobicContact CD1-CD1 3.93Å; L666-L672 HydrophobicContact CD1-CD2 4.4Å; L666-L672 HydrophobicContact CG-CD1 4.32Å; C669-L672 HydrophobicContact CB-CD1 3.71Å; C669-L672 HydrophobicContact CB-CG 3.9Å; C669-L672 PolarHBondContact O-N 3.12Å; C669-L672 VanDerWaalsContact O-N 3.17Å; L672-C676 HydrophobicContact CD2-CB 3.57Å; L672-L692 HydrophobicContact CD1-CD2 4.24Å; L672-C695 HydrophobicContact CD1-CB 4.34Å; L672-G697 CarbonylContact O-C 3.6Å; L672-G697 VanDerWaalsContact O-C 3.31Å; L672-G697 VanDerWaalsContact O-CA 3.28Å; L672-G697 WeakPolarHBondContact O-CA 3.33Å; L672-I698 HydrophobicContact CB-CD1 4.25Å; L672-I698 HydrophobicContact CB-CG1 4.21Å
673N94.9Very high95.3Very high44 Ų4437.1 Ų37.124%0.23518%0.184CC..  trans-135.8-174.8171.975.1-20.1000110.7D675 C676 L677 G697N673-D675 VanDerWaalsContact C-N 3.27Å; N673-D675 PolarHBondContact ND2-OD2 2.81Å; N673-D675 PolarHBondContact O-N 3.16Å; N673-D675 WeakPolarHBondContact OD1-CB 3.49Å; N673-D675 PolarHBondContact OD1-N 2.74Å; N673-C676 WeakPolarHBondContact O-CB 3.45Å; N673-C676 PolarHBondContact O-N 3.42Å; N673-C676 VanDerWaalsContact O-N 3.15Å; N673-C676 PolarHBondContact OD1-N 3.14Å; N673-C676 PolarHBondContact OD1-SG 2.64Å; N673-L677 PolarHBondContact O-N 3.23Å; N673-L677 VanDerWaalsContact O-N 3.12Å; N673-G697 WeakPolarHBondContact CA-O 3.37Å
674D96.5Very high95.1Very high40 Ų4036.9 Ų36.921%0.21418%0.183CC..Hα-helixtrans-59.5-34.6179.1-64.1-10000112.9L677 L678 T699 G702D674-L677 PolarHBondContact O-N 3.34Å; D674-L678 WeakPolarHBondContact O-CB 3.33Å; D674-L678 PolarHBondContact O-N 2.94Å; D674-T699 PolarHBondContact OD1-N 3.47Å; D674-T699 WeakPolarHBondContact OD2-CB 3.38Å; D674-T699 WeakPolarHBondContact OD2-CG2 3.44Å; D674-T699 PolarHBondContact OD2-OG1 3.24Å; D674-G702 VanDerWaalsContact CG-CA 3.49Å; D674-G702 WeakPolarHBondContact OD1-CA 3.25Å; D674-G702 PolarHBondContact OD1-N 3.2Å; D674-G702 PolarHBondContact OD2-N 3.08Å
675D95.3Very high94.7Very high99 Ų9939.9 Ų39.953%0.52920%0.202SC..Hα-helixtrans-66.2-40.3175.8-55.8-62.7000112.1N673 L677 L678 H679N673-D675 VanDerWaalsContact C-N 3.27Å; N673-D675 PolarHBondContact ND2-OD2 2.81Å; N673-D675 PolarHBondContact O-N 3.16Å; N673-D675 WeakPolarHBondContact OD1-CB 3.49Å; N673-D675 PolarHBondContact OD1-N 2.74Å; D675-L677 VanDerWaalsContact C-N 3.35Å; D675-L678 PolarHBondContact O-N 2.94Å; D675-H679 WeakPolarHBondContact O-CB 3.4Å; D675-H679 PolarHBondContact O-N 3.28Å
676C96.2Very high94.5Very high2 Ų240.8 Ų40.81%0.01421%0.206CC..Hα-helixtrans-61-44173-700000111.4P647 F650 L672 N673 H679 I680P647-C676 VanDerWaalsContact CA-SG 3.57Å; P647-C676 VanDerWaalsContact CB-SG 3.53Å; F650-C676 HydrophobicContact CD1-CB 4.17Å; F650-C676 HydrophobicContact CE1-CB 4.27Å; L672-C676 HydrophobicContact CD2-CB 3.57Å; N673-C676 WeakPolarHBondContact O-CB 3.45Å; N673-C676 PolarHBondContact O-N 3.42Å; N673-C676 VanDerWaalsContact O-N 3.15Å; N673-C676 PolarHBondContact OD1-N 3.14Å; N673-C676 PolarHBondContact OD1-SG 2.64Å; C676-H679 WeakPolarHBondContact O-CB 3.39Å; C676-H679 PolarHBondContact O-N 2.96Å; C676-I680 WeakPolarHBondContact O-CG1 3.44Å; C676-I680 PolarHBondContact O-N 3.25Å
677L95.9Very high94.5Very high1 Ų140.8 Ų40.81%0.00521%0.206CC..Hα-helixtrans-67.6-41.7-179.8-173.355.8000111.5N673 D674 D675 H679 I680 V681 L692 I698 G702 F703 L706N673-L677 PolarHBondContact O-N 3.23Å; N673-L677 VanDerWaalsContact O-N 3.12Å; D674-L677 PolarHBondContact O-N 3.34Å; D675-L677 VanDerWaalsContact C-N 3.35Å; L677-H679 VanDerWaalsContact C-N 3.28Å; L677-H679 PolarHBondContact O-N 2.96Å; L677-I680 HydrophobicContact CD1-CD1 4.38Å; L677-I680 PolarHBondContact O-N 2.89Å; L677-V681 HydrophobicContact CD1-CG2 4.35Å; L677-V681 WeakPolarHBondContact O-CB 3.47Å; L677-V681 VanDerWaalsContact O-CG2 3.28Å; L677-V681 WeakPolarHBondContact O-CG2 3.14Å; L677-V681 PolarHBondContact O-N 3.01Å; L677-L692 HydrophobicContact CD1-CD1 3.85Å; L677-L692 HydrophobicContact CD2-CD1 4.33Å; L677-I698 HydrophobicContact CB-CD1 4.48Å; L677-I698 HydrophobicContact CD2-CD1 4.39Å; L677-I698 HydrophobicContact CD2-CG2 3.79Å; L677-G702 WeakPolarHBondContact CD2-O 3.32Å; L677-F703 HydrophobicContact CD2-CD1 4.16Å; L677-F703 HydrophobicContact CD2-CE1 4.49Å; L677-L706 HydrophobicContact CD1-CD2 3.92Å; L677-L706 HydrophobicContact CD2-CD2 4.23Å; L677-L706 HydrophobicContact CD2-CG 4.33Å; L677-L706 HydrophobicContact CG-CD2 4.48Å
678L95.3Very high94.5Very high63 Ų6344.1 Ų44.133%0.3322%0.218SC..Hα-helixtrans-59.6-38.1171.5-178.360.1000111.9D674 D675 N682 T705D674-L678 WeakPolarHBondContact O-CB 3.33Å; D674-L678 PolarHBondContact O-N 2.94Å; D675-L678 PolarHBondContact O-N 2.94Å; L678-N682 WeakPolarHBondContact CD1-ND2 3.33Å; L678-N682 WeakPolarHBondContact O-CB 3.48Å; L678-N682 PolarHBondContact O-N 3Å; L678-N682 PolarHBondContact O-ND2 2.9Å; L678-N682 VanDerWaalsContact O-ND2 3.12Å; L678-T705 HydrophobicContact CD1-CG2 4.24Å
679H94.9Very high94.7Very high84 Ų8445.8 Ų45.839%0.38922%0.224SC..Hα-helixtrans-63.8-48.9172.9-112.287.6000112.6D675 C676 L677 V681 N682 T683D675-H679 WeakPolarHBondContact O-CB 3.4Å; D675-H679 PolarHBondContact O-N 3.28Å; C676-H679 WeakPolarHBondContact O-CB 3.39Å; C676-H679 PolarHBondContact O-N 2.96Å; L677-H679 VanDerWaalsContact C-N 3.28Å; L677-H679 PolarHBondContact O-N 2.96Å; H679-V681 VanDerWaalsContact C-N 3.3Å; H679-V681 PolarHBondContact O-N 3.24Å; H679-N682 PolarHBondContact O-N 3.16Å; H679-T683 WeakPolarHBondContact O-CB 3.33Å; H679-T683 PolarHBondContact O-N 3.26Å; H679-T683 PolarHBondContact O-OG1 3.15Å
680I96.3Very high94.9Very high1 Ų145.8 Ų45.81%0.00522%0.224CC..Hα-helixtrans-53.1-51.6176.3-70.4164.1000109.7F650 L654 L664 L666 C676 L677 N682 T683 C684 I687F650-I680 HydrophobicContact CE1-CD1 3.92Å; F650-I680 HydrophobicContact CE1-CG1 3.93Å; F650-I680 HydrophobicContact CZ-CD1 4.12Å; F650-I680 HydrophobicContact CZ-CG1 4.19Å; L654-I680 HydrophobicContact CD1-CB 4.46Å; L654-I680 HydrophobicContact CD1-CG1 3.64Å; L664-I680 HydrophobicContact CD2-CB 4.38Å; L664-I680 HydrophobicContact CD2-CD1 3.87Å; L664-I680 HydrophobicContact CD2-CG1 3.88Å; L664-I680 HydrophobicContact CD2-CG2 3.56Å; L666-I680 HydrophobicContact CD1-CD1 3.61Å; C676-I680 WeakPolarHBondContact O-CG1 3.44Å; C676-I680 PolarHBondContact O-N 3.25Å; L677-I680 HydrophobicContact CD1-CD1 4.38Å; L677-I680 PolarHBondContact O-N 2.89Å; I680-N682 PolarHBondContact O-N 3.42Å; I680-T683 PolarHBondContact O-N 2.97Å; I680-C684 WeakPolarHBondContact O-CB 3.37Å; I680-C684 PolarHBondContact O-N 2.95Å; I680-I687 HydrophobicContact CG2-CD1 3.59Å
681V94.7Very high95.2Very high8 Ų839.2 Ų39.25%0.04820%0.197CC..Hα-helixtrans-65.1-37.2-175.9170.30000112.7L677 H679 R708 L709L677-V681 HydrophobicContact CD1-CG2 4.35Å; L677-V681 WeakPolarHBondContact O-CB 3.47Å; L677-V681 VanDerWaalsContact O-CG2 3.28Å; L677-V681 WeakPolarHBondContact O-CG2 3.14Å; L677-V681 PolarHBondContact O-N 3.01Å; H679-V681 VanDerWaalsContact C-N 3.3Å; H679-V681 PolarHBondContact O-N 3.24Å; V681-R708 HydrophobicContact CG1-CB 3.5Å; V681-R708 HydrophobicContact CG1-CG 4.09Å; V681-L709 HydrophobicContact CG2-CD1 4.21Å; V681-L709 HydrophobicContact CG2-CD2 4.41Å; V681-L709 HydrophobicContact CG2-CG 4.15Å
682N94Very high95.5Very high95 Ų9538.3 Ų38.351%0.50819%0.193SC..Hα-helixtrans-80.9-25.2178.3-64.4-22.5000113.3L678 H679 I680 R708L678-N682 WeakPolarHBondContact CD1-ND2 3.33Å; L678-N682 WeakPolarHBondContact O-CB 3.48Å; L678-N682 PolarHBondContact O-N 3Å; L678-N682 PolarHBondContact O-ND2 2.9Å; L678-N682 VanDerWaalsContact O-ND2 3.12Å; H679-N682 PolarHBondContact O-N 3.16Å; I680-N682 PolarHBondContact O-N 3.42Å; N682-R708 PolarHBondContact OD1-NH1 3.43Å
683T92.8Very high95.6Very high24 Ų2438.6 Ų38.615%0.14720%0.195CC..Hα-helixtrans-98.5-29.5-173-49.90000113.1L654 R659 H679 I680 P685L654-T683 HydrophobicContact CB-CG2 4.09Å; L654-T683 WeakPolarHBondContact O-CG2 3.41Å; R659-T683 WeakPolarHBondContact CA-O 3.38Å; H679-T683 WeakPolarHBondContact O-CB 3.33Å; H679-T683 PolarHBondContact O-N 3.26Å; H679-T683 PolarHBondContact O-OG1 3.15Å; I680-T683 PolarHBondContact O-N 2.97Å; T683-P685 VanDerWaalsContact C-CD 3.44Å; T683-P685 WeakPolarHBondContact O-CD 3.47Å
684C93.5Very high95.6Very high0 Ų037.8 Ų37.80%019%0.192CC..  trans-123.263.6-170.3-53.20000111.9C658 L661 I680 Y686 I687C658-C684 PolarHBondContact O-SG 2.93Å; L661-C684 HydrophobicContact CB-CB 4.5Å; I680-C684 WeakPolarHBondContact O-CB 3.37Å; I680-C684 PolarHBondContact O-N 2.95Å; C684-Y686 PolarHBondContact O-N 2.98Å; C684-Y686 VanDerWaalsContact O-N 3.09Å; C684-I687 HydrophobicContact CB-CD1 3.51Å; C684-I687 HydrophobicContact CB-CG1 3.85Å; C684-I687 WeakPolarHBondContact O-CG1 3.38Å; C684-I687 PolarHBondContact O-N 3.39Å
685P90.2Very high95.6Very high63 Ų6336 Ų3641%0.40918%0.183SC..THydrogen-bonded Turntrans-67.7-12.2-172.328.9-36.9000114.6T683T683-P685 VanDerWaalsContact C-CD 3.44Å; T683-P685 WeakPolarHBondContact O-CD 3.47Å
686Y92.8Very high95.5Very high116 Ų11636 Ų3646%0.45518%0.182SC..THydrogen-bonded Turntrans-95.19.9-177.1-58-67.6000114.4Y660 L661 C684 K688Y660-Y686 HydrophobicContact CD1-CD2 4.15Å; Y660-Y686 AromaticContact CD1-CE2 3.94Å; Y660-Y686 HydrophobicContact CD1-CE2 3.94Å; Y660-Y686 HydrophobicContact CE1-CE2 4.22Å; L661-Y686 CarbonylContact O-C 3.31Å; L661-Y686 VanDerWaalsContact O-C 3.31Å; C684-Y686 PolarHBondContact O-N 2.98Å; C684-Y686 VanDerWaalsContact O-N 3.09Å; Y686-K688 PolarHBondContact O-N 2.9Å
687I96.4Very high95.3Very high0 Ų037.8 Ų37.80%020%0.201CC..  trans-60.2129178.4-72.3171.8000110.9L661 L664 I680 C684 L690 L709 L712L661-I687 WeakPolarHBondContact O-CG1 3.32Å; L661-I687 PolarHBondContact O-N 2.78Å; L664-I687 HydrophobicContact CB-CD1 4.19Å; L664-I687 HydrophobicContact CD2-CD1 3.91Å; I680-I687 HydrophobicContact CG2-CD1 3.59Å; C684-I687 HydrophobicContact CB-CD1 3.51Å; C684-I687 HydrophobicContact CB-CG1 3.85Å; C684-I687 WeakPolarHBondContact O-CG1 3.38Å; C684-I687 PolarHBondContact O-N 3.39Å; I687-L690 HydrophobicContact CG2-CB 3.95Å; I687-L709 HydrophobicContact CB-CD1 4.5Å; I687-L709 HydrophobicContact CB-CD2 4.4Å; I687-L709 HydrophobicContact CG2-CD1 4.34Å; I687-L712 HydrophobicContact CG2-CD1 3.91Å
688K97.3Very high95.3Very high90 Ų9037.9 Ų37.939%0.39120%0.201SC..  trans-115.9-27.5175.9-62.8178.9-175.4175.70111.7T662 Y686 Q713 W714T662-K688 PolarHBondContact O-N 3.45Å; Y686-K688 PolarHBondContact O-N 2.9Å; K688-Q713 HydrophobicContact CB-CG 4.31Å; K688-Q713 CarbonylContact O-C 3.46Å; K688-Q713 WeakPolarHBondContact O-CA 3.33Å; K688-Q713 PolarHBondContact O-N 2.87Å; K688-W714 PolarHBondContact O-N 3.11Å
689E98.3Very high95.3Very high54 Ų5437.5 Ų37.525%0.25220%0.202SC..EExtended strand (participates in β ladder)trans-128.6117.1-178.9-56.7167.7-173.900108.6R633 T662 T663 L664 W714R633-E689 IonicContact NH2-OE1 3.77Å; R633-E689 IonicContact NH2-OE2 2.64Å; T662-E689 PolarHBondContact O-N 3.46Å; T663-E689 WeakPolarHBondContact CA-O 3.33Å; T663-E689 WeakPolarHBondContact CB-OE2 3.35Å; T663-E689 HydrophobicContact CG2-CB 3.94Å; T663-E689 WeakPolarHBondContact CG2-OE2 3.45Å; T663-E689 VanDerWaalsContact OG1-CD 3.31Å; T663-E689 PolarHBondContact OG1-OE2 2.95Å; L664-E689 PolarHBondContact N-O 3Å; E689-W714 WeakPolarHBondContact CA-O 3.35Å; E689-W714 HydrophobicContact CB-CB 4.17Å; E689-W714 HydrophobicContact CG-CB 3.94Å
690L98.1Very high95.2Very high0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-130.9121.3-178.5-178.159.7000112.1L664 I687 L692 L706 L709 L712 W714 I715 S716L664-L690 HydrophobicContact CB-CD1 4.05Å; L664-L690 HydrophobicContact CD2-CD1 4.02Å; L664-L690 HydrophobicContact CG-CD1 4.07Å; L664-L690 WeakPolarHBondContact O-CA 3.4Å; I687-L690 HydrophobicContact CG2-CB 3.95Å; L690-L692 HydrophobicContact CD1-CD2 4.25Å; L690-L692 HydrophobicContact CD1-CG 4.21Å; L690-L692 HydrophobicContact CD2-CD1 4.09Å; L690-L692 HydrophobicContact CD2-CG 4.41Å; L690-L692 HydrophobicContact CG-CD1 4.32Å; L690-L692 HydrophobicContact CG-CG 4.1Å; L690-L706 HydrophobicContact CD2-CD2 3.67Å; L690-L709 HydrophobicContact CD2-CD1 3.8Å; L690-L712 HydrophobicContact CB-CD1 3.87Å; L690-W714 PolarHBondContact N-O 2.57Å; L690-W714 WeakPolarHBondContact O-CZ3 3.46Å; L690-I715 WeakPolarHBondContact O-CA 3.19Å; L690-S716 PolarHBondContact O-N 3.34Å
691D98.2Very high95Very high18 Ų1843.4 Ų43.410%0.09623%0.227CC..EExtended strand (participates in β ladder)trans-113.1116.1173.7-168.8-4.1000111.4L664 R665 L666 S693 W714L664-D691 PolarHBondContact O-N 2.68Å; R665-D691 HydrophobicContact CB-CB 3.93Å; R665-D691 HydrophobicContact CG-CB 3.79Å; L666-D691 PolarHBondContact N-O 3.36Å; D691-S693 WeakPolarHBondContact OD1-CB 3.38Å; D691-S693 PolarHBondContact OD1-N 2.87Å; D691-S693 PolarHBondContact OD1-OG 2.66Å; D691-W714 HydrophobicContact CB-CH2 4.14Å; D691-W714 HydrophobicContact CB-CZ3 3.78Å
692L97.8Very high94.9Very high0 Ų043.1 Ų43.10%023%0.226CC..  trans-120.522.1174.1-60.3173.7000111.6L666 L672 L677 L690 S694 C695 I698 F703 L706 S716 L717 T720L666-L692 HydrophobicContact CB-CD2 4.39Å; L666-L692 HydrophobicContact CD1-CD2 4.09Å; L672-L692 HydrophobicContact CD1-CD2 4.24Å; L677-L692 HydrophobicContact CD1-CD1 3.85Å; L677-L692 HydrophobicContact CD2-CD1 4.33Å; L690-L692 HydrophobicContact CD1-CD2 4.25Å; L690-L692 HydrophobicContact CD1-CG 4.21Å; L690-L692 HydrophobicContact CD2-CD1 4.09Å; L690-L692 HydrophobicContact CD2-CG 4.41Å; L690-L692 HydrophobicContact CG-CD1 4.32Å; L690-L692 HydrophobicContact CG-CG 4.1Å; L692-S694 PolarHBondContact O-N 3.08Å; L692-C695 VanDerWaalsContact C-SG 3.52Å; L692-C695 HydrophobicContact CB-CB 4.39Å; L692-C695 WeakPolarHBondContact O-CB 3.37Å; L692-C695 PolarHBondContact O-N 2.98Å; L692-C695 VanDerWaalsContact O-N 3.11Å; L692-C695 PolarHBondContact O-SG 3.14Å; L692-I698 HydrophobicContact CD1-CD1 4.16Å; L692-I698 HydrophobicContact CD2-CD1 4.12Å; L692-F703 HydrophobicContact CD1-CE1 4.16Å; L692-L706 HydrophobicContact CD1-CD2 4.46Å; L692-S716 PolarHBondContact N-O 2.91Å; L692-L717 HydrophobicContact CB-CD2 4.1Å; L692-L717 HydrophobicContact CD1-CD2 4.19Å; L692-T720 WeakPolarHBondContact O-CG2 3.25Å
693S97.9Very high95Very high9 Ų938.7 Ų38.76%0.06320%0.202CC..THydrogen-bonded Turntrans-54.4133-177.2-55.10000111.8S667 S668 D691 C695 S716 Y718S667-S693 CarbonylContact C-O 3.3Å; S667-S693 WeakPolarHBondContact CA-O 3.35Å; S668-S693 PolarHBondContact N-O 3.09Å; D691-S693 WeakPolarHBondContact OD1-CB 3.38Å; D691-S693 PolarHBondContact OD1-N 2.87Å; D691-S693 PolarHBondContact OD1-OG 2.66Å; S693-C695 PolarHBondContact O-N 3.3Å; S693-C695 VanDerWaalsContact O-N 3.15Å; S693-S716 WeakPolarHBondContact OG-CB 3.38Å; S693-S716 PolarHBondContact OG-OG 2.91Å; S693-Y718 CarbonylContact C-O 3.57Å; S693-Y718 VanDerWaalsContact CA-O 3.32Å; S693-Y718 WeakPolarHBondContact CA-O 3.44Å
694S96.1Very high95.1Very high26 Ų2640.8 Ų40.818%0.18221%0.212CC..THydrogen-bonded Turntrans55.523.1-177.5-59.90000115.8L692 L696 Y718 R719L692-S694 PolarHBondContact O-N 3.08Å; S694-L696 VanDerWaalsContact C-N 3.27Å; S694-L696 PolarHBondContact O-N 3.3Å; S694-Y718 PolarHBondContact N-O 2.91Å; S694-R719 WeakPolarHBondContact CA-O 3.48Å
695C95.5Very high95Very high2 Ų242 Ų421%0.01422%0.219CC..  trans-81.767.6175-64.20000112L666 L672 L692 S693 G697 I698L666-C695 PolarHBondContact O-SG 2.97Å; L672-C695 HydrophobicContact CD1-CB 4.34Å; L692-C695 VanDerWaalsContact C-SG 3.52Å; L692-C695 HydrophobicContact CB-CB 4.39Å; L692-C695 WeakPolarHBondContact O-CB 3.37Å; L692-C695 PolarHBondContact O-N 2.98Å; L692-C695 VanDerWaalsContact O-N 3.11Å; L692-C695 PolarHBondContact O-SG 3.14Å; S693-C695 PolarHBondContact O-N 3.3Å; S693-C695 VanDerWaalsContact O-N 3.15Å; C695-G697 PolarHBondContact O-N 2.92Å; C695-I698 HydrophobicContact CB-CD1 4Å; C695-I698 HydrophobicContact CB-CG1 4.46Å; C695-I698 PolarHBondContact O-N 2.97Å
696L93.1Very high95.2Very high100 Ų10039 Ų3952%0.52420%0.2SC..THydrogen-bonded Turntrans-63.2-9.8-170.9-56.8179.4000115.9S694 R719S694-L696 VanDerWaalsContact C-N 3.27Å; S694-L696 PolarHBondContact O-N 3.3Å; L696-R719 VanDerWaalsContact CD2-O 3.32Å; L696-R719 WeakPolarHBondContact CD2-O 3.32Å
697G92.9Very high95.1Very high39 Ų3933.7 Ų33.740%0.40218%0.181SC..THydrogen-bonded Turntrans-83.3-10.3176.200000114.6L672 N673 C695L672-G697 CarbonylContact O-C 3.6Å; L672-G697 VanDerWaalsContact O-C 3.31Å; L672-G697 VanDerWaalsContact O-CA 3.28Å; L672-G697 WeakPolarHBondContact O-CA 3.33Å; N673-G697 WeakPolarHBondContact CA-O 3.37Å; C695-G697 PolarHBondContact O-N 2.92Å
698I95.9Very high95Very high3 Ų340.9 Ų40.92%0.01521%0.208CC..SBendtrans-87.8127.9174.3-55.7174000108.6L672 L677 L692 C695 F703L672-I698 HydrophobicContact CB-CD1 4.25Å; L672-I698 HydrophobicContact CB-CG1 4.21Å; L677-I698 HydrophobicContact CB-CD1 4.48Å; L677-I698 HydrophobicContact CD2-CD1 4.39Å; L677-I698 HydrophobicContact CD2-CG2 3.79Å; L692-I698 HydrophobicContact CD1-CD1 4.16Å; L692-I698 HydrophobicContact CD2-CD1 4.12Å; C695-I698 HydrophobicContact CB-CD1 4Å; C695-I698 HydrophobicContact CB-CG1 4.46Å; C695-I698 PolarHBondContact O-N 2.97Å; I698-F703 HydrophobicContact CB-CE1 4.36Å; I698-F703 HydrophobicContact CB-CE2 4.12Å; I698-F703 HydrophobicContact CB-CZ 3.81Å; I698-F703 HydrophobicContact CG2-CD1 4.11Å; I698-F703 HydrophobicContact CG2-CD2 4.09Å; I698-F703 HydrophobicContact CG2-CE1 3.76Å; I698-F703 HydrophobicContact CG2-CE2 3.73Å; I698-F703 HydrophobicContact CG2-CG 4.26Å; I698-F703 HydrophobicContact CG2-CZ 3.55Å
699T94.4Very high94.8Very high55 Ų5536.7 Ų36.734%0.33719%0.189SC..  trans-91.5168.9-179.486.30000111.8D674 Y701 G702 F703D674-T699 PolarHBondContact OD1-N 3.47Å; D674-T699 WeakPolarHBondContact OD2-CB 3.38Å; D674-T699 WeakPolarHBondContact OD2-CG2 3.44Å; D674-T699 PolarHBondContact OD2-OG1 3.24Å; T699-Y701 PolarHBondContact O-N 3.13Å; T699-Y701 VanDerWaalsContact O-N 3.13Å; T699-Y701 PolarHBondContact OG1-N 3.42Å; T699-Y701 VanDerWaalsContact OG1-N 3.09Å; T699-G702 PolarHBondContact O-N 2.88Å; T699-F703 WeakPolarHBondContact O-CD2 3.11Å; T699-F703 PolarHBondContact O-N 3.17Å
700S91.9Very high94.5Very high34 Ų3438.3 Ų38.324%0.23820%0.199CC..Hα-helixtrans-55.4-26.1171.456.30000113.7L704S700-L704 WeakPolarHBondContact O-CG 3.37Å
701Y92.3Very high94.3Very high176 Ų17642 Ų4269%0.6922%0.216SC*.Hα-helixtrans-74.1-39.4173.9-62.2-74.9000112.6T699 F703 L704T699-Y701 PolarHBondContact O-N 3.13Å; T699-Y701 VanDerWaalsContact O-N 3.13Å; T699-Y701 PolarHBondContact OG1-N 3.42Å; T699-Y701 VanDerWaalsContact OG1-N 3.09Å; Y701-F703 VanDerWaalsContact C-N 3.33Å; Y701-F703 PolarHBondContact O-N 2.63Å; Y701-L704 HydrophobicContact CD1-CD1 4.22Å; Y701-L704 WeakPolarHBondContact O-CB 3.41Å; Y701-L704 WeakPolarHBondContact O-CG 3.38Å; Y701-L704 PolarHBondContact O-N 3.26Å
702G94.1Very high94.3Very high2 Ų241.1 Ų41.12%0.02121%0.211CC..Hα-helixtrans-59.4-43.8174.400000112D674 L677 T699 L704 T705D674-G702 VanDerWaalsContact CG-CA 3.49Å; D674-G702 WeakPolarHBondContact OD1-CA 3.25Å; D674-G702 PolarHBondContact OD1-N 3.2Å; D674-G702 PolarHBondContact OD2-N 3.08Å; L677-G702 WeakPolarHBondContact CD2-O 3.32Å; T699-G702 PolarHBondContact O-N 2.88Å; G702-L704 PolarHBondContact O-N 3.22Å; G702-T705 WeakPolarHBondContact O-CB 3.43Å; G702-T705 WeakPolarHBondContact O-CG2 3.28Å; G702-T705 PolarHBondContact O-N 2.96Å; G702-T705 PolarHBondContact O-OG1 3.5Å
703F95.8Very high94.2Very high1 Ų143.6 Ų43.60%0.00422%0.223CC..Hα-helixtrans-62.4-24.1-180-67.9-59.9000114.2L677 L692 I698 T699 Y701 T705 L706 L717 T720 I722L677-F703 HydrophobicContact CD2-CD1 4.16Å; L677-F703 HydrophobicContact CD2-CE1 4.49Å; L692-F703 HydrophobicContact CD1-CE1 4.16Å; I698-F703 HydrophobicContact CB-CE1 4.36Å; I698-F703 HydrophobicContact CB-CE2 4.12Å; I698-F703 HydrophobicContact CB-CZ 3.81Å; I698-F703 HydrophobicContact CG2-CD1 4.11Å; I698-F703 HydrophobicContact CG2-CD2 4.09Å; I698-F703 HydrophobicContact CG2-CE1 3.76Å; I698-F703 HydrophobicContact CG2-CE2 3.73Å; I698-F703 HydrophobicContact CG2-CG 4.26Å; I698-F703 HydrophobicContact CG2-CZ 3.55Å; T699-F703 WeakPolarHBondContact O-CD2 3.11Å; T699-F703 PolarHBondContact O-N 3.17Å; Y701-F703 VanDerWaalsContact C-N 3.33Å; Y701-F703 PolarHBondContact O-N 2.63Å; F703-T705 PolarHBondContact O-N 2.87Å; F703-T705 VanDerWaalsContact O-N 3.12Å; F703-L706 HydrophobicContact CD1-CD1 3.81Å; F703-L706 HydrophobicContact CD1-CG 4.49Å; F703-L706 WeakPolarHBondContact O-CB 3.45Å; F703-L706 PolarHBondContact O-N 3.2Å; F703-L706 VanDerWaalsContact O-N 3.11Å; F703-L717 HydrophobicContact CD1-CD2 4.3Å; F703-L717 HydrophobicContact CE1-CD2 3.85Å; F703-T720 HydrophobicContact CZ-CG2 4.11Å; F703-I722 HydrophobicContact CB-CD1 4.21Å; F703-I722 HydrophobicContact CB-CG1 4.16Å; F703-I722 HydrophobicContact CD2-CB 3.88Å; F703-I722 HydrophobicContact CD2-CG1 4.42Å; F703-I722 HydrophobicContact CE2-CB 4.27Å; F703-I722 HydrophobicContact CG-CB 4.1Å; F703-I722 HydrophobicContact CG-CD1 4.39Å; F703-I722 HydrophobicContact CG-CG1 4.26Å
704L93.7Very high94.2Very high68 Ų6846.8 Ų46.836%0.35623%0.233SC..G310 helixtrans-58.3-25172.5-53.6173.6000112.5S700 Y701 G702 L706 N725 I729S700-L704 WeakPolarHBondContact O-CG 3.37Å; Y701-L704 HydrophobicContact CD1-CD1 4.22Å; Y701-L704 WeakPolarHBondContact O-CB 3.41Å; Y701-L704 WeakPolarHBondContact O-CG 3.38Å; Y701-L704 PolarHBondContact O-N 3.26Å; G702-L704 PolarHBondContact O-N 3.22Å; L704-L706 VanDerWaalsContact C-N 3.32Å; L704-L706 PolarHBondContact O-N 3.15Å; L704-N725 HydrophobicContact CD2-CB 4.45Å; L704-I729 HydrophobicContact CB-CD1 4.35Å; L704-I729 HydrophobicContact CD2-CD1 3.74Å
705T93.2Very high94.3Very high26 Ų2645.6 Ų45.616%0.1623%0.225CC..G310 helixtrans-74-20.2-18067.60000113.6L678 G702 F703 G707 R708L678-T705 HydrophobicContact CD1-CG2 4.24Å; G702-T705 WeakPolarHBondContact O-CB 3.43Å; G702-T705 WeakPolarHBondContact O-CG2 3.28Å; G702-T705 PolarHBondContact O-N 2.96Å; G702-T705 PolarHBondContact O-OG1 3.5Å; F703-T705 PolarHBondContact O-N 2.87Å; F703-T705 VanDerWaalsContact O-N 3.12Å; T705-G707 PolarHBondContact O-N 3.35Å; T705-R708 PolarHBondContact O-N 2.63Å
706L93.8Very high94.4Very high1 Ų145.7 Ų45.71%0.00523%0.226CC..G310 helixtrans-60.1-30.3-175.5-73.4-179.6000113.6L677 L690 L692 F703 L704 R708 L709 I715 L717 L730L677-L706 HydrophobicContact CD1-CD2 3.92Å; L677-L706 HydrophobicContact CD2-CD2 4.23Å; L677-L706 HydrophobicContact CD2-CG 4.33Å; L677-L706 HydrophobicContact CG-CD2 4.48Å; L690-L706 HydrophobicContact CD2-CD2 3.67Å; L692-L706 HydrophobicContact CD1-CD2 4.46Å; F703-L706 HydrophobicContact CD1-CD1 3.81Å; F703-L706 HydrophobicContact CD1-CG 4.49Å; F703-L706 WeakPolarHBondContact O-CB 3.45Å; F703-L706 PolarHBondContact O-N 3.2Å; F703-L706 VanDerWaalsContact O-N 3.11Å; L704-L706 VanDerWaalsContact C-N 3.32Å; L704-L706 PolarHBondContact O-N 3.15Å; L706-R708 PolarHBondContact O-N 2.76Å; L706-L709 HydrophobicContact CD2-CD1 4.24Å; L706-L709 WeakPolarHBondContact O-CB 3.08Å; L706-L709 PolarHBondContact O-N 2.95Å; L706-I715 HydrophobicContact CD1-CD1 3.91Å; L706-L717 HydrophobicContact CD1-CD1 4.34Å; L706-L717 HydrophobicContact CD1-CD2 4.28Å; L706-L730 HydrophobicContact CD1-CD1 4.14Å
707G90.5Very high94.6Very high4 Ų441 Ų414%0.04120%0.201CC..G310 helixtrans-60.9-11.517900000115T705 L709 L733T705-G707 PolarHBondContact O-N 3.35Å; G707-L709 VanDerWaalsContact C-N 3.34Å; G707-L733 WeakPolarHBondContact O-CB 3.5Å; G707-L733 WeakPolarHBondContact O-CD1 3.47Å
708R93.2Very high94.9Very high151 Ų15141.4 Ų41.457%0.5719%0.191SC*.G310 helixtrans-75.1-20170-65.3178.6-179-179.93.8113.2V681 N682 T705 L706 I710V681-R708 HydrophobicContact CG1-CB 3.5Å; V681-R708 HydrophobicContact CG1-CG 4.09Å; N682-R708 PolarHBondContact OD1-NH1 3.43Å; T705-R708 PolarHBondContact O-N 2.63Å; L706-R708 PolarHBondContact O-N 2.76Å; R708-I710 PolarHBondContact O-N 3.34Å
709L93.9Very high94.9Very high1 Ų146.2 Ų46.21%0.00521%0.209CC..  trans-81.263.4177.1-60.9-179.3000110.6V681 I687 L690 L706 G707 H711 L712 C734V681-L709 HydrophobicContact CG2-CD1 4.21Å; V681-L709 HydrophobicContact CG2-CD2 4.41Å; V681-L709 HydrophobicContact CG2-CG 4.15Å; I687-L709 HydrophobicContact CB-CD1 4.5Å; I687-L709 HydrophobicContact CB-CD2 4.4Å; I687-L709 HydrophobicContact CG2-CD1 4.34Å; L690-L709 HydrophobicContact CD2-CD1 3.8Å; L706-L709 HydrophobicContact CD2-CD1 4.24Å; L706-L709 WeakPolarHBondContact O-CB 3.08Å; L706-L709 PolarHBondContact O-N 2.95Å; G707-L709 VanDerWaalsContact C-N 3.34Å; L709-H711 PolarHBondContact O-N 2.93Å; L709-L712 HydrophobicContact CB-CB 4.41Å; L709-L712 VanDerWaalsContact O-CB 3.24Å; L709-L712 WeakPolarHBondContact O-CB 3.36Å; L709-L712 PolarHBondContact O-N 3.16Å; L709-L712 VanDerWaalsContact O-N 3.1Å; L709-C734 PolarHBondContact O-SG 3.39Å; L709-C734 VanDerWaalsContact O-SG 3.38Å
710I92.9Very high95Very high88 Ų8843.8 Ų43.845%0.45119%0.194SC..THydrogen-bonded Turntrans-61.7-14.8-174.762.3171.8000114.3R708 Y736R708-I710 PolarHBondContact O-N 3.34Å; I710-Y736 WeakPolarHBondContact O-CD2 3.35Å
711H93.7Very high95.1Very high77 Ų7745.4 Ų45.436%0.35620%0.198SC..THydrogen-bonded Turntrans-95.33.4179.4-64.3-41.5000114.5L709 Q713L709-H711 PolarHBondContact O-N 2.93Å; H711-Q713 WeakPolarHBondContact O-CG 3.28Å
712L96.7Very high95.3Very high0 Ų037 Ų370%017%0.165CC..  trans-62.9135-175.8-161.964.6000112.2I687 L690 L709 I715 C734 Y736 L737I687-L712 HydrophobicContact CG2-CD1 3.91Å; L690-L712 HydrophobicContact CB-CD1 3.87Å; L709-L712 HydrophobicContact CB-CB 4.41Å; L709-L712 VanDerWaalsContact O-CB 3.24Å; L709-L712 WeakPolarHBondContact O-CB 3.36Å; L709-L712 PolarHBondContact O-N 3.16Å; L709-L712 VanDerWaalsContact O-N 3.1Å; L712-I715 HydrophobicContact CD2-CB 3.91Å; L712-I715 HydrophobicContact CD2-CD1 3.86Å; L712-I715 HydrophobicContact CD2-CG1 4.18Å; L712-I715 HydrophobicContact CD2-CG2 4.48Å; L712-I715 HydrophobicContact CG-CB 4.39Å; L712-C734 HydrophobicContact CB-CB 4.49Å; L712-Y736 CarbonylContact O-C 3.3Å; L712-Y736 VanDerWaalsContact O-C 3.3Å; L712-L737 HydrophobicContact CB-CD2 4.21Å; L712-L737 HydrophobicContact CD2-CD2 4.22Å; L712-L737 HydrophobicContact CG-CD2 3.96Å; L712-L737 PolarHBondContact O-N 3.49Å
713Q97.3Very high95.3Very high52 Ų5238.6 Ų38.624%0.24317%0.174CC..  trans-127.5-26.8-177.5-50.2-166.113.400112.5K688 H711 Y736 K738 H739K688-Q713 HydrophobicContact CB-CG 4.31Å; K688-Q713 CarbonylContact O-C 3.46Å; K688-Q713 WeakPolarHBondContact O-CA 3.33Å; K688-Q713 PolarHBondContact O-N 2.87Å; H711-Q713 WeakPolarHBondContact O-CG 3.28Å; Q713-Y736 WeakPolarHBondContact CA-O 3.17Å; Q713-K738 HydrophobicContact CB-CD 4.39Å; Q713-K738 WeakPolarHBondContact O-CA 3.33Å; Q713-K738 WeakPolarHBondContact O-CB 3.38Å; Q713-K738 PolarHBondContact O-N 3.47Å; Q713-H739 PolarHBondContact O-N 3.29Å
714W98.2Very high95.3Very high76 Ų7640.1 Ų40.129%0.28818%0.182SC..EExtended strand (participates in β ladder)trans-134127177.3-172.9111.2000108.2K688 E689 L690 D691 H739K688-W714 PolarHBondContact O-N 3.11Å; E689-W714 WeakPolarHBondContact CA-O 3.35Å; E689-W714 HydrophobicContact CB-CB 4.17Å; E689-W714 HydrophobicContact CG-CB 3.94Å; L690-W714 PolarHBondContact N-O 2.57Å; L690-W714 WeakPolarHBondContact O-CZ3 3.46Å; D691-W714 HydrophobicContact CB-CH2 4.14Å; D691-W714 HydrophobicContact CB-CZ3 3.78Å; W714-H739 WeakPolarHBondContact CA-O 3.25Å; W714-H739 HydrophobicContact CB-CB 4.22Å; W714-H739 AromaticContact CD1-CD2 3.83Å; W714-H739 AromaticContact CD1-CG 3.5Å; W714-H739 HydrophobicContact CG-CB 3.82Å
715I98Very high95.3Very high2 Ų242.6 Ų42.61%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-139.4136.5173.3-166.3-179.1000111.9L690 L706 L712 L717 L730 L737 H739 V740 N741L690-I715 WeakPolarHBondContact O-CA 3.19Å; L706-I715 HydrophobicContact CD1-CD1 3.91Å; L712-I715 HydrophobicContact CD2-CB 3.91Å; L712-I715 HydrophobicContact CD2-CD1 3.86Å; L712-I715 HydrophobicContact CD2-CG1 4.18Å; L712-I715 HydrophobicContact CD2-CG2 4.48Å; L712-I715 HydrophobicContact CG-CB 4.39Å; I715-L717 HydrophobicContact CD1-CD1 3.93Å; I715-L717 HydrophobicContact CD1-CD2 3.86Å; I715-L717 HydrophobicContact CD1-CG 3.79Å; I715-L717 HydrophobicContact CG1-CD2 4.22Å; I715-L717 HydrophobicContact CG1-CG 4.09Å; I715-L730 HydrophobicContact CD1-CD1 3.66Å; I715-L737 HydrophobicContact CG2-CD2 4.1Å; I715-H739 PolarHBondContact N-O 3.09Å; I715-V740 HydrophobicContact CG2-CG2 4.13Å; I715-N741 PolarHBondContact O-N 3.08Å
716S98Very high95.4Very high4 Ų441.4 Ų41.43%0.02819%0.189CC..EExtended strand (participates in β ladder)trans-121.8123.6166.8-170.60000111.5L690 L692 S693 N741L690-S716 PolarHBondContact O-N 3.34Å; L692-S716 PolarHBondContact N-O 2.91Å; S693-S716 WeakPolarHBondContact OG-CB 3.38Å; S693-S716 PolarHBondContact OG-OG 2.91Å; S716-N741 PolarHBondContact OG-ND2 3.18Å; S716-N741 VanDerWaalsContact OG-ND2 3.14Å
717L97.4Very high95.4Very high0 Ų041.4 Ų41.40%019%0.189CC..  trans-119.917.2175.9-61.2-178.7000111.2L692 F703 L706 I715 R719 T720 I722 L730 N741 L742 C745L692-L717 HydrophobicContact CB-CD2 4.1Å; L692-L717 HydrophobicContact CD1-CD2 4.19Å; F703-L717 HydrophobicContact CD1-CD2 4.3Å; F703-L717 HydrophobicContact CE1-CD2 3.85Å; L706-L717 HydrophobicContact CD1-CD1 4.34Å; L706-L717 HydrophobicContact CD1-CD2 4.28Å; I715-L717 HydrophobicContact CD1-CD1 3.93Å; I715-L717 HydrophobicContact CD1-CD2 3.86Å; I715-L717 HydrophobicContact CD1-CG 3.79Å; I715-L717 HydrophobicContact CG1-CD2 4.22Å; I715-L717 HydrophobicContact CG1-CG 4.09Å; L717-R719 PolarHBondContact O-N 3.01Å; L717-T720 WeakPolarHBondContact O-CB 3.4Å; L717-T720 VanDerWaalsContact O-CG2 3.27Å; L717-T720 WeakPolarHBondContact O-CG2 3.48Å; L717-T720 PolarHBondContact O-N 3.3Å; L717-T720 VanDerWaalsContact O-N 3.13Å; L717-T720 PolarHBondContact O-OG1 3.02Å; L717-I722 HydrophobicContact CB-CG2 4.43Å; L717-I722 HydrophobicContact CD1-CB 4.39Å; L717-I722 HydrophobicContact CD1-CD1 3.4Å; L717-I722 HydrophobicContact CD1-CG1 4.47Å; L717-I722 HydrophobicContact CD1-CG2 4.12Å; L717-L730 HydrophobicContact CD1-CD1 4.36Å; L717-N741 PolarHBondContact N-O 3.11Å; L717-L742 HydrophobicContact CB-CD2 4.32Å; L717-L742 HydrophobicContact CD1-CD2 4.23Å; L717-C745 PolarHBondContact O-SG 3.21Å
718Y97.5Very high95.6Very high48 Ų4842.9 Ų42.919%0.18820%0.2CC..THydrogen-bonded Turntrans-46.6125.7-178174.2-103.6000112.3S693 S694 G743 W771S693-Y718 CarbonylContact C-O 3.57Å; S693-Y718 VanDerWaalsContact CA-O 3.32Å; S693-Y718 WeakPolarHBondContact CA-O 3.44Å; S694-Y718 PolarHBondContact N-O 2.91Å; Y718-G743 WeakPolarHBondContact CA-O 3.47Å; Y718-G743 WeakPolarHBondContact CD2-O 3.35Å; Y718-W771 AromaticContact CE2-CE3 4Å; Y718-W771 HydrophobicContact CE2-CE3 4Å; Y718-W771 HydrophobicContact CE2-CZ3 4.15Å
719R96.1Very high95.6Very high105 Ų10538.1 Ų38.140%0.39619%0.186SC..THydrogen-bonded Turntrans52.852.6-175.2-64.7173.653.5177.6-7.2114.2S694 L696 L717 G743S694-R719 WeakPolarHBondContact CA-O 3.48Å; L696-R719 VanDerWaalsContact CD2-O 3.32Å; L696-R719 WeakPolarHBondContact CD2-O 3.32Å; L717-R719 PolarHBondContact O-N 3.01Å; R719-G743 PolarHBondContact N-O 3.21Å
720T96.4Very high95.6Very high3 Ų338.1 Ų38.12%0.01819%0.186CC..  trans-120.4168.2171.362.70000112.4L692 F703 L717 I722L692-T720 WeakPolarHBondContact O-CG2 3.25Å; F703-T720 HydrophobicContact CZ-CG2 4.11Å; L717-T720 WeakPolarHBondContact O-CB 3.4Å; L717-T720 VanDerWaalsContact O-CG2 3.27Å; L717-T720 WeakPolarHBondContact O-CG2 3.48Å; L717-T720 PolarHBondContact O-N 3.3Å; L717-T720 VanDerWaalsContact O-N 3.13Å; L717-T720 PolarHBondContact O-OG1 3.02Å; T720-I722 VanDerWaalsContact C-N 3.26Å; T720-I722 PolarHBondContact O-N 2.79Å
721H93.9Very high95.6Very high69 Ų6933.9 Ų33.932%0.31916%0.164SC..  trans-88.739.3178.9-65.9-61000113.3D747H721-D747 WeakPolarHBondContact CA-OD2 3.36Å; H721-D747 IonicContact CE1-OD2 3.25Å; H721-D747 IonicContact CG-OD2 3.36Å; H721-D747 IonicContact ND1-OD2 3.74Å; H721-D747 PolarHBondContact ND1-OD2 2.98Å
722I96.2Very high95.6Very high0 Ų036.1 Ų36.10%018%0.175CC..  trans-76.4126.7171.8-173.9165000110.2F703 L717 T720 L727 C745 I748F703-I722 HydrophobicContact CB-CD1 4.21Å; F703-I722 HydrophobicContact CB-CG1 4.16Å; F703-I722 HydrophobicContact CD2-CB 3.88Å; F703-I722 HydrophobicContact CD2-CG1 4.42Å; F703-I722 HydrophobicContact CE2-CB 4.27Å; F703-I722 HydrophobicContact CG-CB 4.1Å; F703-I722 HydrophobicContact CG-CD1 4.39Å; F703-I722 HydrophobicContact CG-CG1 4.26Å; L717-I722 HydrophobicContact CB-CG2 4.43Å; L717-I722 HydrophobicContact CD1-CB 4.39Å; L717-I722 HydrophobicContact CD1-CD1 3.4Å; L717-I722 HydrophobicContact CD1-CG1 4.47Å; L717-I722 HydrophobicContact CD1-CG2 4.12Å; T720-I722 VanDerWaalsContact C-N 3.26Å; T720-I722 PolarHBondContact O-N 2.79Å; I722-L727 HydrophobicContact CD1-CB 4.02Å; I722-L727 HydrophobicContact CD1-CD1 4.17Å; I722-L727 HydrophobicContact CG1-CB 4.34Å; I722-C745 HydrophobicContact CG2-CB 4.24Å; I722-I748 HydrophobicContact CG2-CD1 4.34Å; I722-I748 WeakPolarHBondContact O-CG1 3.39Å
723T95.5Very high95.4Very high35 Ų3539.8 Ų39.822%0.21519%0.194CC..  trans-97.2167.2175.356.90000111.5N725 G726 L727 D747T723-N725 PolarHBondContact O-N 3.32Å; T723-N725 VanDerWaalsContact O-N 3.12Å; T723-G726 PolarHBondContact O-N 3.14Å; T723-L727 PolarHBondContact O-N 2.64Å; T723-D747 WeakPolarHBondContact CA-O 3.44Å; T723-D747 HydrophobicContact CG2-CB 3.97Å
724D95.3Very high95.2Very high33 Ų3337.3 Ų37.318%0.17618%0.182CC..Hα-helixtrans-46.5-43.4178.6-53.5-84.4000113.3G726 L727 A728 I748 N749 D750 I754D724-G726 PolarHBondContact O-N 2.89Å; D724-L727 PolarHBondContact O-N 2.74Å; D724-A728 WeakPolarHBondContact O-CB 3.19Å; D724-A728 PolarHBondContact O-N 2.9Å; D724-I748 WeakPolarHBondContact OD1-CG2 3.5Å; D724-N749 PolarHBondContact OD1-N 2.87Å; D724-N749 PolarHBondContact OD2-N 3.46Å; D724-N749 VanDerWaalsContact OD2-N 3.15Å; D724-N749 PolarHBondContact OD2-ND2 3.09Å; D724-D750 PolarHBondContact OD1-N 2.97Å; D724-I754 HydrophobicContact CB-CD1 3.82Å
725N94.1Very high94.9Very high120 Ų12039.1 Ų39.164%0.64219%0.194SC*.Hα-helixtrans-62.4-40.8178.4-68.8-31.7000113.5L704 T723 I729L704-N725 HydrophobicContact CD2-CB 4.45Å; T723-N725 PolarHBondContact O-N 3.32Å; T723-N725 VanDerWaalsContact O-N 3.12Å; N725-I729 WeakPolarHBondContact O-CG1 3.29Å; N725-I729 PolarHBondContact O-N 3.32Å
726G94Very high94.7Very high1 Ų146 Ų461%0.0122%0.221CC..Hα-helixtrans-69.7-38.917900000111.8T723 D724 L730T723-G726 PolarHBondContact O-N 3.14Å; D724-G726 PolarHBondContact O-N 2.89Å; G726-L730 PolarHBondContact O-N 3.21Å
727L95.1Very high94.6Very high0 Ų045.8 Ų45.80%022%0.219CC..Hα-helixtrans-74.8-32179.1-167.365.4000112.3I722 T723 D724 L730 A731 L742 I748 I751 I754I722-L727 HydrophobicContact CD1-CB 4.02Å; I722-L727 HydrophobicContact CD1-CD1 4.17Å; I722-L727 HydrophobicContact CG1-CB 4.34Å; T723-L727 PolarHBondContact O-N 2.64Å; D724-L727 PolarHBondContact O-N 2.74Å; L727-L730 HydrophobicContact CD1-CD1 4.33Å; L727-L730 HydrophobicContact CD1-CD2 4.17Å; L727-L730 PolarHBondContact O-N 2.93Å; L727-A731 WeakPolarHBondContact O-CB 3.09Å; L727-A731 PolarHBondContact O-N 3.14Å; L727-L742 HydrophobicContact CD1-CD1 4.07Å; L727-L742 HydrophobicContact CD1-CD2 3.7Å; L727-L742 HydrophobicContact CD2-CD1 3.53Å; L727-L742 HydrophobicContact CD2-CD2 4.19Å; L727-L742 HydrophobicContact CG-CD1 4.45Å; L727-I748 HydrophobicContact CD2-CD1 4.04Å; L727-I751 HydrophobicContact CD2-CD1 3.94Å; L727-I754 HydrophobicContact CB-CD1 4.44Å; L727-I754 HydrophobicContact CB-CG2 4.1Å; L727-I754 HydrophobicContact CD2-CB 4.47Å; L727-I754 HydrophobicContact CD2-CD1 4.25Å; L727-I754 HydrophobicContact CD2-CG2 3.67Å; L727-I754 HydrophobicContact CG-CG2 3.62Å
728A94.5Very high94.6Very high35 Ų3549.3 Ų49.329%0.28924%0.235SC..Hα-helixtrans-62.2-45.2172.500000112.4D724 L730 A731 E732D724-A728 WeakPolarHBondContact O-CB 3.19Å; D724-A728 PolarHBondContact O-N 2.9Å; A728-L730 VanDerWaalsContact C-N 3.32Å; A728-L730 PolarHBondContact O-N 2.96Å; A728-A731 PolarHBondContact O-N 3.09Å; A728-E732 WeakPolarHBondContact O-CB 3.47Å; A728-E732 PolarHBondContact O-N 3.12Å
729I93.7Very high94.6Very high51 Ų5149.7 Ų49.726%0.26224%0.238SC..Hα-helixtrans-62-41.1175.6-69.5173000111.2L704 N725 E732 L733L704-I729 HydrophobicContact CB-CD1 4.35Å; L704-I729 HydrophobicContact CD2-CD1 3.74Å; N725-I729 WeakPolarHBondContact O-CG1 3.29Å; N725-I729 PolarHBondContact O-N 3.32Å; I729-E732 PolarHBondContact O-N 3.13Å; I729-L733 HydrophobicContact CG2-CD1 3.94Å; I729-L733 WeakPolarHBondContact O-CB 3.5Å; I729-L733 WeakPolarHBondContact O-CG 3.42Å; I729-L733 PolarHBondContact O-N 3.47Å; I729-L733 VanDerWaalsContact O-N 3.09Å
730L93.4Very high94.7Very high1 Ų144.9 Ų44.91%0.00522%0.22CC..Hα-helixtrans-62-45.8175-178.5158.9000111.1L706 I715 L717 G726 L727 A728 E732 C734 L737L706-L730 HydrophobicContact CD1-CD1 4.14Å; I715-L730 HydrophobicContact CD1-CD1 3.66Å; L717-L730 HydrophobicContact CD1-CD1 4.36Å; G726-L730 PolarHBondContact O-N 3.21Å; L727-L730 HydrophobicContact CD1-CD1 4.33Å; L727-L730 HydrophobicContact CD1-CD2 4.17Å; L727-L730 PolarHBondContact O-N 2.93Å; A728-L730 VanDerWaalsContact C-N 3.32Å; A728-L730 PolarHBondContact O-N 2.96Å; L730-E732 VanDerWaalsContact C-N 3.34Å; L730-E732 PolarHBondContact O-N 2.88Å; L730-C734 VanDerWaalsContact O-CB 3.26Å; L730-C734 WeakPolarHBondContact O-CB 3.22Å; L730-C734 PolarHBondContact O-N 3.17Å; L730-L737 HydrophobicContact CD2-CD1 3.52Å
731A93.1Very high94.8Very high0 Ų045.6 Ų45.60%022%0.224CC..Hα-helixtrans-66-31.217800000113.6L727 A728 I754 N757 L758 N761L727-A731 WeakPolarHBondContact O-CB 3.09Å; L727-A731 PolarHBondContact O-N 3.14Å; A728-A731 PolarHBondContact O-N 3.09Å; A731-I754 HydrophobicContact CB-CG2 4.49Å; A731-N757 HydrophobicContact CB-CB 4.43Å; A731-L758 HydrophobicContact CB-CB 3.79Å; A731-L758 HydrophobicContact CB-CD1 4.49Å; A731-L758 HydrophobicContact CB-CG 4.34Å; A731-N761 WeakPolarHBondContact O-CB 3.48Å; A731-N761 PolarHBondContact O-ND2 3.48Å
732E92.4Very high95Very high124 Ų12442.4 Ų42.458%0.57921%0.209SC*.Hα-helixtrans-75.6-41.8177.2-171.7174.5-170.600112.6A728 I729 L730 Q735A728-E732 WeakPolarHBondContact O-CB 3.47Å; A728-E732 PolarHBondContact O-N 3.12Å; I729-E732 PolarHBondContact O-N 3.13Å; L730-E732 VanDerWaalsContact C-N 3.34Å; L730-E732 PolarHBondContact O-N 2.88Å; E732-Q735 PolarHBondContact O-NE2 3.43Å
733L92.6Very high94.9Very high76 Ų7642.4 Ų42.440%0.39821%0.209SC..Hα-helixtrans-101.7-30.5-167.6-58.2-179.4000114.8G707 I729 Q735G707-L733 WeakPolarHBondContact O-CB 3.5Å; G707-L733 WeakPolarHBondContact O-CD1 3.47Å; I729-L733 HydrophobicContact CG2-CD1 3.94Å; I729-L733 WeakPolarHBondContact O-CB 3.5Å; I729-L733 WeakPolarHBondContact O-CG 3.42Å; I729-L733 PolarHBondContact O-N 3.47Å; I729-L733 VanDerWaalsContact O-N 3.09Å; L733-Q735 PolarHBondContact O-N 3.37Å; L733-Q735 VanDerWaalsContact O-N 3.12Å
734C92.8Very high94.9Very high0 Ų041.5 Ų41.50%021%0.205CC..  trans-88.572.9-178.3-64.20000111.7L709 L712 L730 Y736 L737 N762L709-C734 PolarHBondContact O-SG 3.39Å; L709-C734 VanDerWaalsContact O-SG 3.38Å; L712-C734 HydrophobicContact CB-CB 4.49Å; L730-C734 VanDerWaalsContact O-CB 3.26Å; L730-C734 WeakPolarHBondContact O-CB 3.22Å; L730-C734 PolarHBondContact O-N 3.17Å; C734-Y736 PolarHBondContact O-N 3.16Å; C734-Y736 VanDerWaalsContact O-N 3.13Å; C734-L737 HydrophobicContact CB-CD1 3.81Å; C734-L737 HydrophobicContact CB-CD2 4.47Å; C734-L737 HydrophobicContact CB-CG 3.98Å; C734-L737 WeakPolarHBondContact O-CG 3.46Å; C734-N762 PolarHBondContact O-ND2 3.48Å
735Q92.2Very high94.9Very high114 Ų11440.3 Ų40.353%0.53320%0.199SC..THydrogen-bonded Turntrans-75.2-0.3-169.4-64.1177.16.600115.6E732 L733 N762E732-Q735 PolarHBondContact O-NE2 3.43Å; L733-Q735 PolarHBondContact O-N 3.37Å; L733-Q735 VanDerWaalsContact O-N 3.12Å; Q735-N762 WeakPolarHBondContact CA-ND2 3.24Å; Q735-N762 PolarHBondContact O-ND2 3.48Å
736Y94.1Very high94.7Very high146 Ų14640.5 Ų40.557%0.57320%0.198SC*.THydrogen-bonded Turntrans-111.915-177.4-62.1-72.5000115I710 L712 Q713 C734I710-Y736 WeakPolarHBondContact O-CD2 3.35Å; L712-Y736 CarbonylContact O-C 3.3Å; L712-Y736 VanDerWaalsContact O-C 3.3Å; Q713-Y736 WeakPolarHBondContact CA-O 3.17Å; C734-Y736 PolarHBondContact O-N 3.16Å; C734-Y736 VanDerWaalsContact O-N 3.13Å
737L96.7Very high94.7Very high1 Ų143.1 Ų43.11%0.00521%0.212CC..  trans-63.2138.3-178.4-67.2167000112.7L712 I715 L730 C734 V740 N762 L765L712-L737 HydrophobicContact CB-CD2 4.21Å; L712-L737 HydrophobicContact CD2-CD2 4.22Å; L712-L737 HydrophobicContact CG-CD2 3.96Å; L712-L737 PolarHBondContact O-N 3.49Å; I715-L737 HydrophobicContact CG2-CD2 4.1Å; L730-L737 HydrophobicContact CD2-CD1 3.52Å; C734-L737 HydrophobicContact CB-CD1 3.81Å; C734-L737 HydrophobicContact CB-CD2 4.47Å; C734-L737 HydrophobicContact CB-CG 3.98Å; C734-L737 WeakPolarHBondContact O-CG 3.46Å; L737-V740 HydrophobicContact CB-CG2 4.17Å; L737-V740 HydrophobicContact CD1-CG2 4.07Å; L737-V740 HydrophobicContact CD2-CG2 4.35Å; L737-V740 HydrophobicContact CG-CG2 4.43Å; L737-N762 HydrophobicContact CB-CB 4.35Å; L737-N762 PolarHBondContact N-ND2 3.44Å; L737-L765 HydrophobicContact CB-CD1 4.43Å
738K97.1Very high94.7Very high74 Ų7443.5 Ų43.532%0.32221%0.214SC..  trans-126.3-33.7178.2-67171.2-175.81660111.5Q713 R766 S767Q713-K738 HydrophobicContact CB-CD 4.39Å; Q713-K738 WeakPolarHBondContact O-CA 3.33Å; Q713-K738 WeakPolarHBondContact O-CB 3.38Å; Q713-K738 PolarHBondContact O-N 3.47Å; K738-R766 CarbonylContact O-C 3.59Å; K738-R766 WeakPolarHBondContact O-CA 3.37Å; K738-R766 WeakPolarHBondContact O-CB 3.28Å; K738-R766 PolarHBondContact O-N 3.11Å; K738-S767 PolarHBondContact O-N 2.83Å
739H98Very high94.7Very high56 Ų5647.7 Ų47.726%0.25923%0.231SC..EExtended strand (participates in β ladder)trans-131.6125.3179-56.5-102.6000109.3Q713 W714 I715 S767Q713-H739 PolarHBondContact O-N 3.29Å; W714-H739 WeakPolarHBondContact CA-O 3.25Å; W714-H739 HydrophobicContact CB-CB 4.22Å; W714-H739 AromaticContact CD1-CD2 3.83Å; W714-H739 AromaticContact CD1-CG 3.5Å; W714-H739 HydrophobicContact CG-CB 3.82Å; I715-H739 PolarHBondContact N-O 3.09Å; H739-S767 WeakPolarHBondContact CA-O 3.29Å; H739-S767 WeakPolarHBondContact ND1-CB 3.44Å
740V97.8Very high94.7Very high3 Ų349.2 Ų49.22%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-134120.7-179.6173.20000109I715 L737 L742 L758 L765 S767 L768 N769I715-V740 HydrophobicContact CG2-CG2 4.13Å; L737-V740 HydrophobicContact CB-CG2 4.17Å; L737-V740 HydrophobicContact CD1-CG2 4.07Å; L737-V740 HydrophobicContact CD2-CG2 4.35Å; L737-V740 HydrophobicContact CG-CG2 4.43Å; V740-L742 HydrophobicContact CG1-CD1 3.91Å; V740-L742 HydrophobicContact CG1-CD2 4.39Å; V740-L742 HydrophobicContact CG1-CG 3.84Å; V740-L758 HydrophobicContact CG1-CD1 4.39Å; V740-L765 HydrophobicContact CG2-CD1 3.94Å; V740-S767 PolarHBondContact N-O 3.2Å; V740-L768 HydrophobicContact CB-CD1 4.15Å; V740-L768 HydrophobicContact CG1-CD1 4.18Å; V740-L768 WeakPolarHBondContact O-CA 3.44Å; V740-N769 PolarHBondContact O-N 3.12Å
741N98.1Very high94.8Very high18 Ų1849.2 Ų49.210%0.09624%0.24CC..EExtended strand (participates in β ladder)trans-117.3117.4174.5179.67.2000111.2I715 S716 L717 G743 N769I715-N741 PolarHBondContact O-N 3.08Å; S716-N741 PolarHBondContact OG-ND2 3.18Å; S716-N741 VanDerWaalsContact OG-ND2 3.14Å; L717-N741 PolarHBondContact N-O 3.11Å; N741-G743 PolarHBondContact OD1-N 3.12Å; N741-N769 HydrophobicContact CB-CB 4.13Å; N741-N769 PolarHBondContact OD1-OD1 2.81Å
742L97.2Very high94.9Very high3 Ų350.1 Ų50.12%0.01625%0.245CC..  trans-12315.3-179.6-58.4168.1000111.6L717 L727 V740 S744 C745 I751 N769 L770L717-L742 HydrophobicContact CB-CD2 4.32Å; L717-L742 HydrophobicContact CD1-CD2 4.23Å; L727-L742 HydrophobicContact CD1-CD1 4.07Å; L727-L742 HydrophobicContact CD1-CD2 3.7Å; L727-L742 HydrophobicContact CD2-CD1 3.53Å; L727-L742 HydrophobicContact CD2-CD2 4.19Å; L727-L742 HydrophobicContact CG-CD1 4.45Å; V740-L742 HydrophobicContact CG1-CD1 3.91Å; V740-L742 HydrophobicContact CG1-CD2 4.39Å; V740-L742 HydrophobicContact CG1-CG 3.84Å; L742-S744 PolarHBondContact O-N 2.87Å; L742-C745 WeakPolarHBondContact O-CB 3.49Å; L742-C745 PolarHBondContact O-N 3.44Å; L742-C745 VanDerWaalsContact O-N 3.17Å; L742-C745 PolarHBondContact O-SG 2.82Å; L742-C745 VanDerWaalsContact O-SG 3.33Å; L742-I751 HydrophobicContact CD1-CD1 4.15Å; L742-N769 PolarHBondContact N-O 3.45Å; L742-L770 HydrophobicContact CB-CD2 4.29Å; L742-L770 HydrophobicContact CD1-CD2 4.02Å
743G95.5Very high95Very high0 Ų049.2 Ų49.20%024%0.241CC..THydrogen-bonded Turntrans-56.7133.9-175.800000112.2Y718 R719 N741 C745 W771Y718-G743 WeakPolarHBondContact CA-O 3.47Å; Y718-G743 WeakPolarHBondContact CD2-O 3.35Å; R719-G743 PolarHBondContact N-O 3.21Å; N741-G743 PolarHBondContact OD1-N 3.12Å; G743-C745 PolarHBondContact O-N 3.22Å; G743-C745 VanDerWaalsContact O-N 3.09Å; G743-W771 CarbonylContact C-O 3.49Å; G743-W771 VanDerWaalsContact CA-O 3.26Å; G743-W771 WeakPolarHBondContact CA-O 3.43Å
744S94.5Very high95.1Very high16 Ų1645.9 Ų45.911%0.11222%0.223CC..THydrogen-bonded Turntrans51.427.6-177.1-65.90000115.6L742 I746 W771L742-S744 PolarHBondContact O-N 2.87Å; S744-I746 PolarHBondContact O-N 3.36Å; S744-W771 PolarHBondContact N-O 3.46Å; S744-W771 VanDerWaalsContact OG-CZ3 3.3Å; S744-W771 WeakPolarHBondContact OG-CZ3 3.33Å
745C95.1Very high95.2Very high8 Ų845.9 Ų45.95%0.05422%0.223CC..  trans-70.5111.6160.2-66.60000108.7L717 I722 L742 G743 I748L717-C745 PolarHBondContact O-SG 3.21Å; I722-C745 HydrophobicContact CG2-CB 4.24Å; L742-C745 WeakPolarHBondContact O-CB 3.49Å; L742-C745 PolarHBondContact O-N 3.44Å; L742-C745 VanDerWaalsContact O-N 3.17Å; L742-C745 PolarHBondContact O-SG 2.82Å; L742-C745 VanDerWaalsContact O-SG 3.33Å; G743-C745 PolarHBondContact O-N 3.22Å; G743-C745 VanDerWaalsContact O-N 3.09Å; C745-I748 HydrophobicContact CB-CD1 3.58Å; C745-I748 HydrophobicContact CB-CG1 4.08Å
746I91.4Very high95.4Very high124 Ų12444.2 Ų44.264%0.63622%0.215SC*.THydrogen-bonded Turntrans-87.1-17.7-170.260.5173.3000114.2S744S744-I746 PolarHBondContact O-N 3.36Å
747D94.1Very high95.4Very high55 Ų5539.1 Ų39.129%0.29420%0.198SC..THydrogen-bonded Turntrans-97.715-172.1-57.1-63.2000113.4H721 T723 N749H721-D747 WeakPolarHBondContact CA-OD2 3.36Å; H721-D747 IonicContact CE1-OD2 3.25Å; H721-D747 IonicContact CG-OD2 3.36Å; H721-D747 IonicContact ND1-OD2 3.74Å; H721-D747 PolarHBondContact ND1-OD2 2.98Å; T723-D747 WeakPolarHBondContact CA-O 3.44Å; T723-D747 HydrophobicContact CG2-CB 3.97Å; D747-N749 PolarHBondContact O-ND2 3.25Å; D747-N749 VanDerWaalsContact O-ND2 3.14Å
748I94.6Very high95.3Very high9 Ų939.1 Ų39.15%0.04620%0.198CC..  trans-100.3119176.2-53.7175.1000109.8I722 D724 L727 C745 I751 I754 S775I722-I748 HydrophobicContact CG2-CD1 4.34Å; I722-I748 WeakPolarHBondContact O-CG1 3.39Å; D724-I748 WeakPolarHBondContact OD1-CG2 3.5Å; L727-I748 HydrophobicContact CD2-CD1 4.04Å; C745-I748 HydrophobicContact CB-CD1 3.58Å; C745-I748 HydrophobicContact CB-CG1 4.08Å; I748-I751 HydrophobicContact CG2-CB 4Å; I748-I751 HydrophobicContact CG2-CD1 4.21Å; I748-I754 HydrophobicContact CG2-CD1 4.04Å; I748-S775 PolarHBondContact O-OG 3.37Å
749N94.1Very high95.2Very high122 Ų12235.6 Ų35.665%0.65218%0.183SC*.SBendtrans-106.8-29.8-169.9-56.7-89.8000113.1D724 D747 S775D724-N749 PolarHBondContact OD1-N 2.87Å; D724-N749 PolarHBondContact OD2-N 3.46Å; D724-N749 VanDerWaalsContact OD2-N 3.15Å; D724-N749 PolarHBondContact OD2-ND2 3.09Å; D747-N749 PolarHBondContact O-ND2 3.25Å; D747-N749 VanDerWaalsContact O-ND2 3.14Å; N749-S775 WeakPolarHBondContact O-CB 3.33Å
750D94.2Very high95.1Very high84 Ų8440 Ų4045%0.44920%0.197SC..  trans-132.265.1-179.1-170.5-5000110.6D724 D752 H753 I754D724-D750 PolarHBondContact OD1-N 2.97Å; D750-D752 PolarHBondContact O-N 3Å; D750-H753 HydrophobicContact CB-CB 4.5Å; D750-H753 VanDerWaalsContact CG-CB 3.42Å; D750-H753 PolarHBondContact O-N 3.01Å; D750-H753 VanDerWaalsContact OD1-CB 3.27Å; D750-H753 WeakPolarHBondContact OD1-CB 3.39Å; D750-H753 PolarHBondContact OD1-N 2.9Å; D750-H753 WeakPolarHBondContact OD2-CB 3.45Å; D750-I754 WeakPolarHBondContact O-CD1 3.45Å; D750-I754 VanDerWaalsContact O-CG1 3.29Å; D750-I754 WeakPolarHBondContact O-CG1 3.32Å; D750-I754 PolarHBondContact O-N 3.49Å
751I95.6Very high95Very high1 Ų142.1 Ų42.11%0.00521%0.208CC..Hα-helixtrans-62.2-30.5177.3-170.758.4000112.1L727 L742 I748 I754 L755 L770 S775 L776L727-I751 HydrophobicContact CD2-CD1 3.94Å; L742-I751 HydrophobicContact CD1-CD1 4.15Å; I748-I751 HydrophobicContact CG2-CB 4Å; I748-I751 HydrophobicContact CG2-CD1 4.21Å; I751-I754 PolarHBondContact O-N 2.9Å; I751-L755 HydrophobicContact CD1-CG 4.27Å; I751-L755 HydrophobicContact CG1-CD1 3.99Å; I751-L755 HydrophobicContact CG1-CG 4.05Å; I751-L755 WeakPolarHBondContact O-CB 3.48Å; I751-L755 VanDerWaalsContact O-CG 3.25Å; I751-L755 WeakPolarHBondContact O-CG 3.47Å; I751-L755 PolarHBondContact O-N 3.31Å; I751-L770 HydrophobicContact CD1-CD2 4.2Å; I751-L770 HydrophobicContact CG1-CD2 4.23Å; I751-S775 VanDerWaalsContact CG2-C 3.41Å; I751-L776 VanDerWaalsContact CG2-CA 3.44Å; I751-L776 HydrophobicContact CG2-CB 3.93Å; I751-L776 HydrophobicContact CG2-CD1 4.24Å; I751-L776 VanDerWaalsContact CG2-N 3.32Å
752D94.4Very high94.8Very high18 Ų1841.4 Ų41.410%0.09620%0.204CC..Hα-helixtrans-66.4-43.4-178.3-78.717.7000111.2D750 I754 L755 H756 T777 G780D750-D752 PolarHBondContact O-N 3Å; D752-I754 VanDerWaalsContact C-N 3.33Å; D752-I754 PolarHBondContact O-N 3.28Å; D752-L755 PolarHBondContact O-N 2.68Å; D752-H756 PolarHBondContact O-N 3.02Å; D752-H756 VanDerWaalsContact O-N 3.16Å; D752-T777 PolarHBondContact OD1-N 2.97Å; D752-T777 VanDerWaalsContact OD1-N 3.12Å; D752-T777 WeakPolarHBondContact OD2-CB 3.36Å; D752-T777 PolarHBondContact OD2-N 3.05Å; D752-T777 PolarHBondContact OD2-OG1 3.12Å; D752-G780 VanDerWaalsContact CG-N 3.29Å; D752-G780 WeakPolarHBondContact OD1-CA 3.46Å; D752-G780 PolarHBondContact OD2-N 3.23Å
753H94.7Very high94.7Very high106 Ų10644.2 Ų44.249%0.49122%0.223SC..Hα-helixtrans-63.6-38.3172.2-177.972.4000112.5D750 H756 N757D750-H753 HydrophobicContact CB-CB 4.5Å; D750-H753 VanDerWaalsContact CG-CB 3.42Å; D750-H753 PolarHBondContact O-N 3.01Å; D750-H753 VanDerWaalsContact OD1-CB 3.27Å; D750-H753 WeakPolarHBondContact OD1-CB 3.39Å; D750-H753 PolarHBondContact OD1-N 2.9Å; D750-H753 WeakPolarHBondContact OD2-CB 3.45Å; H753-H756 WeakPolarHBondContact O-CB 3.38Å; H753-H756 PolarHBondContact O-N 2.95Å; H753-N757 PolarHBondContact NE2-ND2 2.96Å; H753-N757 PolarHBondContact O-ND2 3.29Å
754I95Very high94.6Very high5 Ų549.3 Ų49.33%0.02625%0.25CC..Hα-helixtrans-72.3-38.5-179-57.6159.4000110.9D724 L727 A731 I748 D750 I751 D752 H756 N757 L758D724-I754 HydrophobicContact CB-CD1 3.82Å; L727-I754 HydrophobicContact CB-CD1 4.44Å; L727-I754 HydrophobicContact CB-CG2 4.1Å; L727-I754 HydrophobicContact CD2-CB 4.47Å; L727-I754 HydrophobicContact CD2-CD1 4.25Å; L727-I754 HydrophobicContact CD2-CG2 3.67Å; L727-I754 HydrophobicContact CG-CG2 3.62Å; A731-I754 HydrophobicContact CB-CG2 4.49Å; I748-I754 HydrophobicContact CG2-CD1 4.04Å; D750-I754 WeakPolarHBondContact O-CD1 3.45Å; D750-I754 VanDerWaalsContact O-CG1 3.29Å; D750-I754 WeakPolarHBondContact O-CG1 3.32Å; D750-I754 PolarHBondContact O-N 3.49Å; I751-I754 PolarHBondContact O-N 2.9Å; D752-I754 VanDerWaalsContact C-N 3.33Å; D752-I754 PolarHBondContact O-N 3.28Å; I754-H756 VanDerWaalsContact C-N 3.31Å; I754-H756 PolarHBondContact O-N 3.25Å; I754-N757 PolarHBondContact O-N 2.81Å; I754-N757 VanDerWaalsContact O-N 3.09Å; I754-L758 WeakPolarHBondContact O-CB 3.43Å; I754-L758 PolarHBondContact O-N 3.36Å
755L96Very high94.7Very high1 Ų148.5 Ų48.51%0.00525%0.245CC..Hα-helixtrans-58.5-42.2173.1-78.5170.5000111.1I751 D752 N757 L758 T759 L768 L770 L776 I784I751-L755 HydrophobicContact CD1-CG 4.27Å; I751-L755 HydrophobicContact CG1-CD1 3.99Å; I751-L755 HydrophobicContact CG1-CG 4.05Å; I751-L755 WeakPolarHBondContact O-CB 3.48Å; I751-L755 VanDerWaalsContact O-CG 3.25Å; I751-L755 WeakPolarHBondContact O-CG 3.47Å; I751-L755 PolarHBondContact O-N 3.31Å; D752-L755 PolarHBondContact O-N 2.68Å; L755-N757 PolarHBondContact O-N 3.49Å; L755-L758 PolarHBondContact O-N 3.4Å; L755-T759 HydrophobicContact CD2-CG2 4.28Å; L755-T759 WeakPolarHBondContact O-CB 3.48Å; L755-T759 VanDerWaalsContact O-CG2 3.32Å; L755-T759 WeakPolarHBondContact O-CG2 3.4Å; L755-T759 PolarHBondContact O-N 2.95Å; L755-T759 PolarHBondContact O-OG1 2.92Å; L755-L768 HydrophobicContact CD2-CD2 3.92Å; L755-L770 HydrophobicContact CD1-CD1 4.03Å; L755-L770 HydrophobicContact CD2-CD1 4.35Å; L755-L776 HydrophobicContact CD1-CD1 3.63Å; L755-I784 HydrophobicContact CD1-CD1 4.06Å; L755-I784 HydrophobicContact CD1-CG1 4.49Å; L755-I784 HydrophobicContact CD2-CD1 4.18Å; L755-I784 HydrophobicContact CD2-CG1 4.2Å
756H94.8Very high94.8Very high78 Ų7852.3 Ų52.336%0.36126%0.258SS..Hα-helixtrans-55-36.2174.3173.8-85.9000113.5D752 H753 I754 R760 T783D752-H756 PolarHBondContact O-N 3.02Å; D752-H756 VanDerWaalsContact O-N 3.16Å; H753-H756 WeakPolarHBondContact O-CB 3.38Å; H753-H756 PolarHBondContact O-N 2.95Å; I754-H756 VanDerWaalsContact C-N 3.31Å; I754-H756 PolarHBondContact O-N 3.25Å; H756-R760 WeakPolarHBondContact O-CB 3.49Å; H756-T783 VanDerWaalsContact CA-CG2 3.47Å; H756-T783 HydrophobicContact CB-CG2 3.87Å
757N94.3Very high95.1Very high40 Ų4047.4 Ų47.421%0.21423%0.234CC..Hα-helixtrans-82.7-40.6178.3-59.3-32.5000111.3A731 H753 I754 L755 N761A731-N757 HydrophobicContact CB-CB 4.43Å; H753-N757 PolarHBondContact NE2-ND2 2.96Å; H753-N757 PolarHBondContact O-ND2 3.29Å; I754-N757 PolarHBondContact O-N 2.81Å; I754-N757 VanDerWaalsContact O-N 3.09Å; L755-N757 PolarHBondContact O-N 3.49Å; N757-N761 VanDerWaalsContact O-CB 3.29Å; N757-N761 WeakPolarHBondContact O-CB 3.44Å; N757-N761 PolarHBondContact O-N 3.23Å; N757-N761 VanDerWaalsContact O-N 3.07Å; N757-N761 PolarHBondContact O-ND2 2.78Å
758L95.5Very high95.3Very high1 Ų144.8 Ų44.81%0.00522%0.22CC..Hα-helixtrans-66.7-52.2-179.1-170.7154000112.1A731 V740 I754 L755 R760 N761 N762 L765A731-L758 HydrophobicContact CB-CB 3.79Å; A731-L758 HydrophobicContact CB-CD1 4.49Å; A731-L758 HydrophobicContact CB-CG 4.34Å; V740-L758 HydrophobicContact CG1-CD1 4.39Å; I754-L758 WeakPolarHBondContact O-CB 3.43Å; I754-L758 PolarHBondContact O-N 3.36Å; L755-L758 PolarHBondContact O-N 3.4Å; L758-R760 VanDerWaalsContact C-N 3.33Å; L758-R760 PolarHBondContact O-N 3.38Å; L758-N761 PolarHBondContact O-N 2.74Å; L758-N762 VanDerWaalsContact O-CB 3.27Å; L758-N762 WeakPolarHBondContact O-CB 3.41Å; L758-N762 PolarHBondContact O-N 3.03Å; L758-N762 PolarHBondContact O-OD1 2.85Å; L758-L765 HydrophobicContact CD2-CD2 4.01Å
759T95.4Very high95.5Very high0 Ų045.6 Ų45.60%023%0.225CC..Hα-helixtrans-67-37.5-176.266.50000111.4L755 N762 T783 I784 H787 C788L755-T759 HydrophobicContact CD2-CG2 4.28Å; L755-T759 WeakPolarHBondContact O-CB 3.48Å; L755-T759 VanDerWaalsContact O-CG2 3.32Å; L755-T759 WeakPolarHBondContact O-CG2 3.4Å; L755-T759 PolarHBondContact O-N 2.95Å; L755-T759 PolarHBondContact O-OG1 2.92Å; T759-N762 CarbonylContact O-C 3.59Å; T759-N762 VanDerWaalsContact O-C 3.28Å; T759-N762 PolarHBondContact O-N 3.03Å; T759-T783 PolarHBondContact OG1-O 2.95Å; T759-I784 HydrophobicContact CG2-CB 4.45Å; T759-I784 HydrophobicContact CG2-CG1 3.83Å; T759-H787 WeakPolarHBondContact O-CB 3.23Å; T759-C788 WeakPolarHBondContact CB-SG 3.32Å
760R95.2Very high95.6Very high149 Ų14939.8 Ų39.856%0.56219%0.194SC*.Hα-helixtrans-65.3-39175.1-177.8173.8175-110.1-1.9113.3H756 L758H756-R760 WeakPolarHBondContact O-CB 3.49Å; L758-R760 VanDerWaalsContact C-N 3.33Å; L758-R760 PolarHBondContact O-N 3.38Å
761N94.7Very high95.7Very high47 Ų4738.5 Ų38.525%0.25118%0.182SC..Hα-helixtrans-84.3-17.9177.2-67.4-13.2000112.8A731 N757 L758 P763A731-N761 WeakPolarHBondContact O-CB 3.48Å; A731-N761 PolarHBondContact O-ND2 3.48Å; N757-N761 VanDerWaalsContact O-CB 3.29Å; N757-N761 WeakPolarHBondContact O-CB 3.44Å; N757-N761 PolarHBondContact O-N 3.23Å; N757-N761 VanDerWaalsContact O-N 3.07Å; N757-N761 PolarHBondContact O-ND2 2.78Å; L758-N761 PolarHBondContact O-N 2.74Å; N761-P763 VanDerWaalsContact C-CD 3.42Å; N761-P763 WeakPolarHBondContact O-CD 3.4Å
762N95.2Very high95.6Very high2 Ų244.4 Ų44.41%0.01121%0.205CC..  trans-123.762.8179.3-52.6134.5000112.6C734 Q735 L737 L758 T759 N764 L765C734-N762 PolarHBondContact O-ND2 3.48Å; Q735-N762 WeakPolarHBondContact CA-ND2 3.24Å; Q735-N762 PolarHBondContact O-ND2 3.48Å; L737-N762 HydrophobicContact CB-CB 4.35Å; L737-N762 PolarHBondContact N-ND2 3.44Å; L758-N762 VanDerWaalsContact O-CB 3.27Å; L758-N762 WeakPolarHBondContact O-CB 3.41Å; L758-N762 PolarHBondContact O-N 3.03Å; L758-N762 PolarHBondContact O-OD1 2.85Å; T759-N762 CarbonylContact O-C 3.59Å; T759-N762 VanDerWaalsContact O-C 3.28Å; T759-N762 PolarHBondContact O-N 3.03Å; N762-N764 PolarHBondContact O-N 3.04Å; N762-L765 WeakPolarHBondContact O-CB 3.34Å; N762-L765 PolarHBondContact O-N 3.43Å
763P93.8Very high95.6Very high63 Ų6343.8 Ų43.841%0.40920%0.202SC..THydrogen-bonded Turntrans-64.3-13.7179.627.4-36.2000114N761N761-P763 VanDerWaalsContact C-CD 3.42Å; N761-P763 WeakPolarHBondContact O-CD 3.4Å
764N93.9Very high95.4Very high106 Ų10642.6 Ų42.657%0.56720%0.199SC*.THydrogen-bonded Turntrans-94.516.4175.7-65.3-73.1000113.5N762 R766N762-N764 PolarHBondContact O-N 3.04Å; N764-R766 PolarHBondContact O-N 2.98Å
765L96.8Very high95.3Very high0 Ų043.6 Ų43.60%021%0.206CC..  trans-60.3133.4175.2-162.272.2000110.5L737 V740 L758 N762 L768 C788 Q790 L791L737-L765 HydrophobicContact CB-CD1 4.43Å; V740-L765 HydrophobicContact CG2-CD1 3.94Å; L758-L765 HydrophobicContact CD2-CD2 4.01Å; N762-L765 WeakPolarHBondContact O-CB 3.34Å; N762-L765 PolarHBondContact O-N 3.43Å; L765-L768 HydrophobicContact CD2-CB 4.02Å; L765-L768 HydrophobicContact CD2-CD1 4.41Å; L765-L768 HydrophobicContact CD2-CD2 4.1Å; L765-L768 HydrophobicContact CD2-CG 4.41Å; L765-C788 HydrophobicContact CB-CB 4.29Å; L765-Q790 CarbonylContact O-C 3.35Å; L765-Q790 VanDerWaalsContact O-C 3.3Å; L765-L791 HydrophobicContact CB-CD1 4.42Å; L765-L791 HydrophobicContact CD2-CD1 4.17Å; L765-L791 HydrophobicContact CG-CD1 4.08Å; L765-L791 VanDerWaalsContact O-CA 3.32Å; L765-L791 WeakPolarHBondContact O-CA 3.45Å; L765-L791 PolarHBondContact O-N 2.94Å
766R97.5Very high95.2Very high88 Ų8843.5 Ų43.533%0.33221%0.206SC..  trans-116.1-29.5-174.5-75.5171.1163.5-91-27.2113.2K738 N764 E792 E793K738-R766 CarbonylContact O-C 3.59Å; K738-R766 WeakPolarHBondContact O-CA 3.37Å; K738-R766 WeakPolarHBondContact O-CB 3.28Å; K738-R766 PolarHBondContact O-N 3.11Å; N764-R766 PolarHBondContact O-N 2.98Å; R766-E792 IonicContact CZ-OE1 3.51Å; R766-E792 VanDerWaalsContact CZ-OE1 3.25Å; R766-E792 IonicContact NH1-OE1 3.5Å; R766-E792 PolarHBondContact NH1-OE1 2.95Å; R766-E792 IonicContact NH1-OE2 2.74Å; R766-E792 IonicContact NH2-OE1 3.65Å; R766-E792 PolarHBondContact NH2-OE1 3.07Å; R766-E792 CarbonylContact O-C 3.59Å; R766-E792 WeakPolarHBondContact O-CA 3.45Å; R766-E792 PolarHBondContact O-N 3.44Å; R766-E793 PolarHBondContact O-N 3.24Å
767S98.2Very high95.1Very high20 Ų2042 Ų4214%0.1420%0.202CC..EExtended strand (participates in β ladder)trans-142.9129.7-180-171.10000110.2K738 H739 V740 E793K738-S767 PolarHBondContact O-N 2.83Å; H739-S767 WeakPolarHBondContact CA-O 3.29Å; H739-S767 WeakPolarHBondContact ND1-CB 3.44Å; V740-S767 PolarHBondContact N-O 3.2Å; S767-E793 WeakPolarHBondContact CA-O 3.45Å; S767-E793 WeakPolarHBondContact CB-OE2 3.5Å; S767-E793 PolarHBondContact OG-OE2 2.96Å
768L98.1Very high95Very high1 Ų140.7 Ų40.71%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-135.7116.7178.8-179.356.1000109.5V740 L755 L765 L770 I784 L791 E793 L794 D795V740-L768 HydrophobicContact CB-CD1 4.15Å; V740-L768 HydrophobicContact CG1-CD1 4.18Å; V740-L768 WeakPolarHBondContact O-CA 3.44Å; L755-L768 HydrophobicContact CD2-CD2 3.92Å; L765-L768 HydrophobicContact CD2-CB 4.02Å; L765-L768 HydrophobicContact CD2-CD1 4.41Å; L765-L768 HydrophobicContact CD2-CD2 4.1Å; L765-L768 HydrophobicContact CD2-CG 4.41Å; L768-L770 HydrophobicContact CD1-CD2 4.05Å; L768-L770 HydrophobicContact CD1-CG 4.15Å; L768-L770 HydrophobicContact CD2-CD1 4.19Å; L768-L770 HydrophobicContact CG-CD1 4.24Å; L768-L770 HydrophobicContact CG-CD2 4.49Å; L768-L770 HydrophobicContact CG-CG 4.06Å; L768-I784 HydrophobicContact CD2-CD1 3.6Å; L768-I784 HydrophobicContact CD2-CG1 3.95Å; L768-L791 HydrophobicContact CB-CD1 4.06Å; L768-E793 PolarHBondContact N-O 3.43Å; L768-L794 HydrophobicContact CB-CD1 4.21Å; L768-L794 HydrophobicContact CD2-CD1 4.4Å; L768-L794 HydrophobicContact CG-CD1 4.35Å; L768-L794 WeakPolarHBondContact O-CA 3.4Å; L768-D795 PolarHBondContact O-N 2.55Å
769N97.8Very high94.8Very high26 Ų2646.3 Ų46.314%0.13923%0.226CC..EExtended strand (participates in β ladder)trans-111.3119.2174.5-172.7-52.7000110.3V740 N741 L742 W771 D795V740-N769 PolarHBondContact O-N 3.12Å; N741-N769 HydrophobicContact CB-CB 4.13Å; N741-N769 PolarHBondContact OD1-OD1 2.81Å; L742-N769 PolarHBondContact N-O 3.45Å; N769-W771 WeakPolarHBondContact OD1-CB 3.47Å; N769-W771 PolarHBondContact OD1-N 3.05Å; N769-D795 HydrophobicContact CB-CB 4.27Å; N769-D795 WeakPolarHBondContact ND2-CB 3.36Å; N769-D795 PolarHBondContact ND2-OD2 2.99Å
770L97Very high94.7Very high0 Ų046.3 Ų46.30%023%0.226CC..  trans-12223.3177.5-59.4174.1000110.8L742 I751 L755 L768 R772 C773 L776 I784 D795 I796 C799L742-L770 HydrophobicContact CB-CD2 4.29Å; L742-L770 HydrophobicContact CD1-CD2 4.02Å; I751-L770 HydrophobicContact CD1-CD2 4.2Å; I751-L770 HydrophobicContact CG1-CD2 4.23Å; L755-L770 HydrophobicContact CD1-CD1 4.03Å; L755-L770 HydrophobicContact CD2-CD1 4.35Å; L768-L770 HydrophobicContact CD1-CD2 4.05Å; L768-L770 HydrophobicContact CD1-CG 4.15Å; L768-L770 HydrophobicContact CD2-CD1 4.19Å; L768-L770 HydrophobicContact CG-CD1 4.24Å; L768-L770 HydrophobicContact CG-CD2 4.49Å; L768-L770 HydrophobicContact CG-CG 4.06Å; L770-R772 PolarHBondContact O-N 3.24Å; L770-C773 HydrophobicContact CB-CB 4.06Å; L770-C773 WeakPolarHBondContact O-CB 3.49Å; L770-C773 PolarHBondContact O-N 2.95Å; L770-L776 HydrophobicContact CB-CD2 4.36Å; L770-L776 HydrophobicContact CD1-CD1 4Å; L770-L776 HydrophobicContact CD1-CD2 3.91Å; L770-I784 HydrophobicContact CD1-CD1 4.34Å; L770-D795 PolarHBondContact N-O 2.89Å; L770-I796 HydrophobicContact CB-CG2 4.41Å; L770-I796 HydrophobicContact CD1-CG2 4.45Å; L770-C799 PolarHBondContact O-SG 3.37Å
771W95.4Very high94.7Very high56 Ų5639.2 Ų39.221%0.21220%0.199CC..THydrogen-bonded Turntrans-51.9125.6-173.9-174.586.4000112.3Y718 G743 S744 N769 C773 G797 W798Y718-W771 AromaticContact CE2-CE3 4Å; Y718-W771 HydrophobicContact CE2-CE3 4Å; Y718-W771 HydrophobicContact CE2-CZ3 4.15Å; G743-W771 CarbonylContact C-O 3.49Å; G743-W771 VanDerWaalsContact CA-O 3.26Å; G743-W771 WeakPolarHBondContact CA-O 3.43Å; S744-W771 PolarHBondContact N-O 3.46Å; S744-W771 VanDerWaalsContact OG-CZ3 3.3Å; S744-W771 WeakPolarHBondContact OG-CZ3 3.33Å; N769-W771 WeakPolarHBondContact OD1-CB 3.47Å; N769-W771 PolarHBondContact OD1-N 3.05Å; W771-C773 VanDerWaalsContact C-N 3.26Å; W771-C773 PolarHBondContact O-N 2.9Å; W771-G797 CarbonylContact C-O 3.56Å; W771-W798 AromaticContact CE2-CD1 3.99Å; W771-W798 AromaticContact NE1-CD1 3.58Å
772R94.5Very high94.6Very high125 Ų12538.8 Ų38.847%0.47220%0.2SC..THydrogen-bonded Turntrans60.522-173.1-62.4173.765.6171.8-2.1115.5L770 N774 G797 W798L770-R772 PolarHBondContact O-N 3.24Å; R772-N774 PolarHBondContact O-N 2.79Å; R772-N774 PolarHBondContact O-ND2 2.8Å; R772-G797 PolarHBondContact N-O 3.22Å; R772-W798 HydrophobicContact CG-CB 3.57Å; R772-W798 HydrophobicContact CG-CG 4.24Å
773C93.8Very high94.6Very high5 Ų539.3 Ų39.33%0.03420%0.203CC..  trans-72.498.1171.8-169.10000110.3L770 W771 S775 L776L770-C773 HydrophobicContact CB-CB 4.06Å; L770-C773 WeakPolarHBondContact O-CB 3.49Å; L770-C773 PolarHBondContact O-N 2.95Å; W771-C773 VanDerWaalsContact C-N 3.26Å; W771-C773 PolarHBondContact O-N 2.9Å; C773-S775 VanDerWaalsContact C-N 3.26Å; C773-S775 PolarHBondContact O-N 2.94Å; C773-L776 HydrophobicContact CB-CB 4.42Å; C773-L776 WeakPolarHBondContact O-CB 3.41Å; C773-L776 PolarHBondContact O-N 2.87Å
774N90.1Very high94.6Very high82 Ų8236.3 Ų36.344%0.43918%0.184SC..THydrogen-bonded Turntrans-72.8-14.5-174.8-57.8-73.3000113.8R772 N801R772-N774 PolarHBondContact O-N 2.79Å; R772-N774 PolarHBondContact O-ND2 2.8Å; N774-N801 WeakPolarHBondContact O-CB 3.25Å; N774-N801 PolarHBondContact O-ND2 3.49Å
775S93.2Very high94.7Very high25 Ų2531.2 Ų31.218%0.17516%0.157CC..THydrogen-bonded Turntrans-85.3-10.3177.138.10000113.5I748 N749 I751 C773I748-S775 PolarHBondContact O-OG 3.37Å; N749-S775 WeakPolarHBondContact O-CB 3.33Å; I751-S775 VanDerWaalsContact CG2-C 3.41Å; C773-S775 VanDerWaalsContact C-N 3.26Å; C773-S775 PolarHBondContact O-N 2.94Å
776L94.7Very high94.5Very high0 Ų035.8 Ų35.80%018%0.178CC..  trans-70.5132.9-178.2-176.766.3000111.6I751 L755 L770 C773 I781 I796 C799 N801 V802I751-L776 VanDerWaalsContact CG2-CA 3.44Å; I751-L776 HydrophobicContact CG2-CB 3.93Å; I751-L776 HydrophobicContact CG2-CD1 4.24Å; I751-L776 VanDerWaalsContact CG2-N 3.32Å; L755-L776 HydrophobicContact CD1-CD1 3.63Å; L770-L776 HydrophobicContact CB-CD2 4.36Å; L770-L776 HydrophobicContact CD1-CD1 4Å; L770-L776 HydrophobicContact CD1-CD2 3.91Å; C773-L776 HydrophobicContact CB-CB 4.42Å; C773-L776 WeakPolarHBondContact O-CB 3.41Å; C773-L776 PolarHBondContact O-N 2.87Å; L776-I781 HydrophobicContact CD1-CG1 4.49Å; L776-I781 HydrophobicContact CD2-CG1 4.49Å; L776-I796 HydrophobicContact CD2-CB 4.1Å; L776-I796 HydrophobicContact CD2-CG2 3.66Å; L776-C799 HydrophobicContact CB-CB 4.46Å; L776-C799 HydrophobicContact CD2-CB 4.04Å; L776-N801 CarbonylContact O-C 3.46Å; L776-V802 HydrophobicContact CB-CG2 4.28Å; L776-V802 HydrophobicContact CD2-CG2 3.96Å; L776-V802 HydrophobicContact CG-CG2 3.83Å; L776-V802 WeakPolarHBondContact O-CG2 3.26Å; L776-V802 PolarHBondContact O-N 3.45Å
777T92.8Very high94.4Very high45 Ų4534.1 Ų34.128%0.27617%0.174SC..  trans-122.4178.9172.1900000112.2D752 I779 G780 I781D752-T777 PolarHBondContact OD1-N 2.97Å; D752-T777 VanDerWaalsContact OD1-N 3.12Å; D752-T777 WeakPolarHBondContact OD2-CB 3.36Å; D752-T777 PolarHBondContact OD2-N 3.05Å; D752-T777 PolarHBondContact OD2-OG1 3.12Å; T777-I779 PolarHBondContact O-N 3.14Å; T777-I779 PolarHBondContact OG1-N 3.42Å; T777-G780 PolarHBondContact O-N 3.47Å; T777-I781 PolarHBondContact O-N 2.95Å
778A91.6Very high94.2Very high14 Ų1433.2 Ų33.212%0.11617%0.167CC..Hα-helixtrans-59.3-2417200000113.1I781 S782 C810A778-I781 PolarHBondContact O-N 3.01Å; A778-S782 PolarHBondContact O-N 3.49Å; A778-S782 PolarHBondContact O-OG 3.13Å; A778-C810 HydrophobicContact CB-CB 4.07Å
779I91.7Very high94Very high118 Ų11836.8 Ų36.861%0.60519%0.186SC*.Hα-helixtrans-66.1-51.7176.9-58.1174.4000110T777 I781 S782 T783T777-I779 PolarHBondContact O-N 3.14Å; T777-I779 PolarHBondContact OG1-N 3.42Å; I779-I781 VanDerWaalsContact C-N 3.25Å; I779-I781 PolarHBondContact O-N 3.48Å; I779-S782 WeakPolarHBondContact O-CB 3.5Å; I779-S782 PolarHBondContact O-N 2.91Å; I779-S782 VanDerWaalsContact O-N 3.07Å; I779-T783 PolarHBondContact O-N 3.06Å; I779-T783 PolarHBondContact O-OG1 2.79Å
780G93.9Very high93.9Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-55.7-38.8175.200000113.2D752 T777 T783 I784D752-G780 VanDerWaalsContact CG-N 3.29Å; D752-G780 WeakPolarHBondContact OD1-CA 3.46Å; D752-G780 PolarHBondContact OD2-N 3.23Å; T777-G780 PolarHBondContact O-N 3.47Å; G780-T783 PolarHBondContact O-N 3.48Å; G780-I784 WeakPolarHBondContact O-CG1 3.37Å; G780-I784 PolarHBondContact O-N 3.14Å
781I94.5Very high93.9Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-64.7-44.8174.5-63.9179.6000111.7L776 T777 A778 I779 T783 I784 S785 I796 V802 C810 I811 L814L776-I781 HydrophobicContact CD1-CG1 4.49Å; L776-I781 HydrophobicContact CD2-CG1 4.49Å; T777-I781 PolarHBondContact O-N 2.95Å; A778-I781 PolarHBondContact O-N 3.01Å; I779-I781 VanDerWaalsContact C-N 3.25Å; I779-I781 PolarHBondContact O-N 3.48Å; I781-T783 VanDerWaalsContact C-N 3.32Å; I781-T783 PolarHBondContact O-N 2.89Å; I781-I784 PolarHBondContact O-N 3.25Å; I781-S785 PolarHBondContact O-N 3.04Å; I781-S785 VanDerWaalsContact O-N 3.09Å; I781-I796 HydrophobicContact CD1-CD1 3.69Å; I781-V802 HydrophobicContact CD1-CB 4.39Å; I781-V802 HydrophobicContact CD1-CG1 3.47Å; I781-V802 VanDerWaalsContact CD1-CG1 3.47Å; I781-V802 HydrophobicContact CD1-CG2 3.97Å; I781-C810 HydrophobicContact CG2-CB 4.1Å; I781-I811 HydrophobicContact CD1-CD1 3.99Å; I781-I811 HydrophobicContact CG2-CD1 4.3Å; I781-L814 HydrophobicContact CG2-CB 4.29Å; I781-L814 HydrophobicContact CG2-CD1 3.78Å
782S92.8Very high94Very high38 Ų3838.1 Ų38.127%0.26619%0.194SC..Hα-helixtrans-58-45.9173.3-66.60000111A778 I779 I784 S785 E786A778-S782 PolarHBondContact O-N 3.49Å; A778-S782 PolarHBondContact O-OG 3.13Å; I779-S782 WeakPolarHBondContact O-CB 3.5Å; I779-S782 PolarHBondContact O-N 2.91Å; I779-S782 VanDerWaalsContact O-N 3.07Å; S782-I784 VanDerWaalsContact C-N 3.33Å; S782-I784 PolarHBondContact O-N 3.26Å; S782-S785 CarbonylContact O-C 3.6Å; S782-S785 WeakPolarHBondContact O-CA 3.46Å; S782-S785 WeakPolarHBondContact O-CB 3.43Å; S782-S785 PolarHBondContact O-N 2.92Å; S782-S785 PolarHBondContact O-OG 2.83Å; S782-E786 WeakPolarHBondContact O-CG 3.47Å; S782-E786 PolarHBondContact O-N 3.49Å
783T94Very high94.2Very high13 Ų1334.6 Ų34.68%0.0818%0.183CC..Hα-helixtrans-67.3-27.3-180-58.40000114.1H756 T759 I779 G780 I781 H787H756-T783 VanDerWaalsContact CA-CG2 3.47Å; H756-T783 HydrophobicContact CB-CG2 3.87Å; T759-T783 PolarHBondContact OG1-O 2.95Å; I779-T783 PolarHBondContact O-N 3.06Å; I779-T783 PolarHBondContact O-OG1 2.79Å; G780-T783 PolarHBondContact O-N 3.48Å; I781-T783 VanDerWaalsContact C-N 3.32Å; I781-T783 PolarHBondContact O-N 2.89Å; T783-H787 PolarHBondContact O-ND1 2.95Å
784I95.6Very high94.4Very high0 Ų034.4 Ų34.40%018%0.181CC..Hα-helixtrans-65.3-48.4165.9-68.3159.3000110.1L755 T759 L768 L770 G780 I781 S782 E786 H787 C788 L791 L814L755-I784 HydrophobicContact CD1-CD1 4.06Å; L755-I784 HydrophobicContact CD1-CG1 4.49Å; L755-I784 HydrophobicContact CD2-CD1 4.18Å; L755-I784 HydrophobicContact CD2-CG1 4.2Å; T759-I784 HydrophobicContact CG2-CB 4.45Å; T759-I784 HydrophobicContact CG2-CG1 3.83Å; L768-I784 HydrophobicContact CD2-CD1 3.6Å; L768-I784 HydrophobicContact CD2-CG1 3.95Å; L770-I784 HydrophobicContact CD1-CD1 4.34Å; G780-I784 WeakPolarHBondContact O-CG1 3.37Å; G780-I784 PolarHBondContact O-N 3.14Å; I781-I784 PolarHBondContact O-N 3.25Å; S782-I784 VanDerWaalsContact C-N 3.33Å; S782-I784 PolarHBondContact O-N 3.26Å; I784-E786 PolarHBondContact O-N 3.41Å; I784-H787 PolarHBondContact O-N 3.21Å; I784-C788 HydrophobicContact CG2-CB 4.38Å; I784-C788 PolarHBondContact O-N 3.08Å; I784-L791 HydrophobicContact CG2-CD2 4.04Å; I784-L814 HydrophobicContact CB-CD1 4.45Å; I784-L814 HydrophobicContact CG2-CD1 4.07Å
785S94Very high94.7Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-66.4-21.9-178.476.60000114.6I781 S782 L789 H813 R817I781-S785 PolarHBondContact O-N 3.04Å; I781-S785 VanDerWaalsContact O-N 3.09Å; S782-S785 CarbonylContact O-C 3.6Å; S782-S785 WeakPolarHBondContact O-CA 3.46Å; S782-S785 WeakPolarHBondContact O-CB 3.43Å; S782-S785 PolarHBondContact O-N 2.92Å; S782-S785 PolarHBondContact O-OG 2.83Å; S785-L789 WeakPolarHBondContact O-CD2 3.41Å; S785-H813 PolarHBondContact OG-CE1 3.2Å; S785-H813 PolarHBondContact OG-ND1 3.4Å; S785-R817 WeakPolarHBondContact O-CD 3.5Å; S785-R817 PolarHBondContact O-NE 2.91Å
786E94.7Very high94.9Very high95 Ų9530 Ų3044%0.44416%0.156SC..Hα-helixtrans-72.3-41.9175.2-75.5172.9157.800112.7S782 I784S782-E786 WeakPolarHBondContact O-CG 3.47Å; S782-E786 PolarHBondContact O-N 3.49Å; I784-E786 PolarHBondContact O-N 3.41Å
787H93.8Very high94.8Very high54 Ų5430 Ų3025%0.2516%0.156CC..Hα-helixtrans-111.4-42-165.1-59.992.2000114.3T759 T783 I784 L789T759-H787 WeakPolarHBondContact O-CB 3.23Å; T783-H787 PolarHBondContact O-ND1 2.95Å; I784-H787 PolarHBondContact O-N 3.21Å; H787-L789 VanDerWaalsContact C-N 3.34Å; H787-L789 PolarHBondContact O-N 3.29Å; H787-L789 VanDerWaalsContact O-N 3.13Å
788C94.5Very high94.8Very high0 Ų032.2 Ų32.20%016%0.159CC..  trans-9259.1-172-65.80000112.4T759 L765 I784 Q790 L791T759-C788 WeakPolarHBondContact CB-SG 3.32Å; L765-C788 HydrophobicContact CB-CB 4.29Å; I784-C788 HydrophobicContact CG2-CB 4.38Å; I784-C788 PolarHBondContact O-N 3.08Å; C788-Q790 PolarHBondContact O-N 3.11Å; C788-L791 HydrophobicContact CB-CB 4.41Å; C788-L791 WeakPolarHBondContact O-CB 3.5Å; C788-L791 PolarHBondContact O-N 3.18Å; C788-L791 VanDerWaalsContact O-N 3.16Å
789L94.8Very high94.8Very high76 Ų7631.6 Ų31.640%0.39815%0.154SC..THydrogen-bonded Turntrans-66.6-6.8-177-55.7179.9000114.4S785 H787 R817 H820S785-L789 WeakPolarHBondContact O-CD2 3.41Å; H787-L789 VanDerWaalsContact C-N 3.34Å; H787-L789 PolarHBondContact O-N 3.29Å; H787-L789 VanDerWaalsContact O-N 3.13Å; L789-R817 HydrophobicContact CD2-CB 4.23Å; L789-H820 PolarHBondContact O-CD2 3.29Å
790Q94.3Very high94.5Very high72 Ų7234 Ų3434%0.33616%0.155SC..THydrogen-bonded Turntrans-107.514.3178-66.7-65.9-74.300113.3L765 C788 E792 H820L765-Q790 CarbonylContact O-C 3.35Å; L765-Q790 VanDerWaalsContact O-C 3.3Å; C788-Q790 PolarHBondContact O-N 3.11Å; Q790-E792 PolarHBondContact O-N 2.82Å; Q790-H820 PolarHBondContact NE2-CD2 2.89Å; Q790-H820 PolarHBondContact NE2-NE2 3.47Å; Q790-H820 VanDerWaalsContact NE2-NE2 3.14Å
791L97.3Very high94.2Very high0 Ų038.6 Ų38.60%018%0.18CC..  trans-67.8124.7179.1-16578.3000110.6L765 L768 I784 C788 E793 L794 V818 H820 L821L765-L791 HydrophobicContact CB-CD1 4.42Å; L765-L791 HydrophobicContact CD2-CD1 4.17Å; L765-L791 HydrophobicContact CG-CD1 4.08Å; L765-L791 VanDerWaalsContact O-CA 3.32Å; L765-L791 WeakPolarHBondContact O-CA 3.45Å; L765-L791 PolarHBondContact O-N 2.94Å; L768-L791 HydrophobicContact CB-CD1 4.06Å; I784-L791 HydrophobicContact CG2-CD2 4.04Å; C788-L791 HydrophobicContact CB-CB 4.41Å; C788-L791 WeakPolarHBondContact O-CB 3.5Å; C788-L791 PolarHBondContact O-N 3.18Å; C788-L791 VanDerWaalsContact O-N 3.16Å; L791-E793 WeakPolarHBondContact CG-O 3.26Å; L791-L794 HydrophobicContact CD2-CB 3.95Å; L791-L794 HydrophobicContact CD2-CD1 4.23Å; L791-L794 HydrophobicContact CD2-CG 4.46Å; L791-V818 HydrophobicContact CB-CG1 3.73Å; L791-V818 WeakPolarHBondContact O-CG1 3.4Å; L791-H820 CarbonylContact O-C 3.45Å; L791-L821 PolarHBondContact O-N 3.3Å
792E97.7Very high93.8Very high39 Ų3939 Ų3918%0.18218%0.182CC..  trans-102.4-22.9179.4-58.7-171.9-176.100111.8R766 Q790 K822 K823R766-E792 IonicContact CZ-OE1 3.51Å; R766-E792 VanDerWaalsContact CZ-OE1 3.25Å; R766-E792 IonicContact NH1-OE1 3.5Å; R766-E792 PolarHBondContact NH1-OE1 2.95Å; R766-E792 IonicContact NH1-OE2 2.74Å; R766-E792 IonicContact NH2-OE1 3.65Å; R766-E792 PolarHBondContact NH2-OE1 3.07Å; R766-E792 CarbonylContact O-C 3.59Å; R766-E792 WeakPolarHBondContact O-CA 3.45Å; R766-E792 PolarHBondContact O-N 3.44Å; Q790-E792 PolarHBondContact O-N 2.82Å; E792-K822 HydrophobicContact CB-CD 4.22Å; E792-K822 HydrophobicContact CB-CG 4.4Å; E792-K822 WeakPolarHBondContact O-CA 3.42Å; E792-K822 WeakPolarHBondContact O-CB 3.12Å; E792-K822 PolarHBondContact O-N 2.75Å; E792-K822 IonicContact OE1-NZ 3.75Å; E792-K822 WeakPolarHBondContact OE2-CE 3.47Å; E792-K822 IonicContact OE2-NZ 3.85Å; E792-K822 PolarHBondContact OE2-NZ 3.05Å; E792-K823 PolarHBondContact O-N 3.47Å
793E98.2Very high92.8Very high51 Ų5141.6 Ų41.624%0.23820%0.197CC..EExtended strand (participates in β ladder)trans-139.7131.4-178.3-51.9178.6139.300111.2R766 S767 L768 L791 K823R766-E793 PolarHBondContact O-N 3.24Å; S767-E793 WeakPolarHBondContact CA-O 3.45Å; S767-E793 WeakPolarHBondContact CB-OE2 3.5Å; S767-E793 PolarHBondContact OG-OE2 2.96Å; L768-E793 PolarHBondContact N-O 3.43Å; L791-E793 WeakPolarHBondContact CG-O 3.26Å; E793-K823 WeakPolarHBondContact CA-O 3.49Å; E793-K823 HydrophobicContact CB-CB 4.26Å; E793-K823 HydrophobicContact CG-CB 4.15Å; E793-K823 HydrophobicContact CG-CD 4.05Å; E793-K823 HydrophobicContact CG-CG 4.08Å; E793-K823 WeakPolarHBondContact OE1-CD 3.29Å; E793-K823 VanDerWaalsContact OE1-CE 3.24Å; E793-K823 WeakPolarHBondContact OE1-CE 3.07Å; E793-K823 IonicContact OE1-NZ 2.96Å; E793-K823 PolarHBondContact OE1-NZ 3.09Å
794L98Very high91.3Very high1 Ų143.1 Ų43.11%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-135125.8173.2-178.461.8000110.8L768 L791 I796 L814 L821 K823 L824 F825L768-L794 HydrophobicContact CB-CD1 4.21Å; L768-L794 HydrophobicContact CD2-CD1 4.4Å; L768-L794 HydrophobicContact CG-CD1 4.35Å; L768-L794 WeakPolarHBondContact O-CA 3.4Å; L791-L794 HydrophobicContact CD2-CB 3.95Å; L791-L794 HydrophobicContact CD2-CD1 4.23Å; L791-L794 HydrophobicContact CD2-CG 4.46Å; L794-I796 HydrophobicContact CD1-CG2 3.95Å; L794-I796 HydrophobicContact CG-CG2 4.15Å; L794-L814 HydrophobicContact CD2-CD1 3.61Å; L794-L814 HydrophobicContact CD2-CD2 4.06Å; L794-L821 HydrophobicContact CB-CD1 4.11Å; L794-K823 PolarHBondContact N-O 3.4Å; L794-L824 HydrophobicContact CB-CD1 4.3Å; L794-L824 HydrophobicContact CD2-CD1 4.29Å; L794-L824 HydrophobicContact CG-CD1 4.47Å; L794-L824 WeakPolarHBondContact O-CA 3.45Å; L794-F825 PolarHBondContact O-N 3.29Å
795D97.5Very high89.6Confident14 Ų1446.3 Ų46.38%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-119.8117.8170.3-179.3-3.2000110.1L768 N769 L770 G797 F825L768-D795 PolarHBondContact O-N 2.55Å; N769-D795 HydrophobicContact CB-CB 4.27Å; N769-D795 WeakPolarHBondContact ND2-CB 3.36Å; N769-D795 PolarHBondContact ND2-OD2 2.99Å; L770-D795 PolarHBondContact N-O 2.89Å; D795-G797 PolarHBondContact OD1-N 3.26Å; D795-F825 HydrophobicContact CB-CB 4.03Å; D795-F825 HydrophobicContact CB-CD2 3.89Å; D795-F825 HydrophobicContact CB-CG 4.28Å
796I95.9Very high87.5Confident0 Ų055.9 Ų55.90%027%0.272CS..  trans-12825.4172.961170.4000111L770 L776 I781 L794 W798 C799 I811 F825 L826 T829 L831L770-I796 HydrophobicContact CB-CG2 4.41Å; L770-I796 HydrophobicContact CD1-CG2 4.45Å; L776-I796 HydrophobicContact CD2-CB 4.1Å; L776-I796 HydrophobicContact CD2-CG2 3.66Å; I781-I796 HydrophobicContact CD1-CD1 3.69Å; L794-I796 HydrophobicContact CD1-CG2 3.95Å; L794-I796 HydrophobicContact CG-CG2 4.15Å; I796-W798 PolarHBondContact O-N 2.84Å; I796-C799 HydrophobicContact CB-CB 4.46Å; I796-C799 VanDerWaalsContact O-CB 3.3Å; I796-C799 WeakPolarHBondContact O-CB 3.49Å; I796-C799 PolarHBondContact O-N 3.49Å; I796-C799 PolarHBondContact O-SG 3.45Å; I796-I811 HydrophobicContact CD1-CD1 3.65Å; I796-F825 PolarHBondContact N-O 3.46Å; I796-F825 VanDerWaalsContact N-O 3.13Å; I796-L826 HydrophobicContact CD1-CD2 3.68Å; I796-L826 HydrophobicContact CG1-CD2 3.64Å; I796-T829 VanDerWaalsContact O-CG2 3.26Å; I796-T829 WeakPolarHBondContact O-CG2 3.47Å; I796-L831 HydrophobicContact CD1-CD1 4.01Å
797G93.8Very high85.5Confident0 Ų060.1 Ų60.10%029%0.292CS..THydrogen-bonded Turntrans-54.4135.8178.800000111.3W771 R772 D795 C799 F825 T827W771-G797 CarbonylContact C-O 3.56Å; R772-G797 PolarHBondContact N-O 3.22Å; D795-G797 PolarHBondContact OD1-N 3.26Å; G797-C799 PolarHBondContact O-N 3.23Å; G797-F825 PolarHBondContact N-O 3.48Å; G797-T827 CarbonylContact C-O 3.6Å; G797-T827 WeakPolarHBondContact CA-O 3.26Å
798W91.8Very high83.9Confident92 Ų9259.1 Ų59.135%0.34829%0.291SS..THydrogen-bonded Turntrans58.720.4-179.3-56.693.1000116W771 R772 I796 R800 T827W771-W798 AromaticContact CE2-CD1 3.99Å; W771-W798 AromaticContact NE1-CD1 3.58Å; R772-W798 HydrophobicContact CG-CB 3.57Å; R772-W798 HydrophobicContact CG-CG 4.24Å; I796-W798 PolarHBondContact O-N 2.84Å; W798-R800 VanDerWaalsContact C-N 3.33Å; W798-R800 PolarHBondContact O-N 3.3Å; W798-T827 PolarHBondContact N-O 3.39Å
799C91.9Very high83.3Confident1 Ų162.4 Ų62.41%0.00731%0.309CS..  trans-75.578.6172.2-67.70000111.9L770 L776 I796 G797 N801 V802L770-C799 PolarHBondContact O-SG 3.37Å; L776-C799 HydrophobicContact CB-CB 4.46Å; L776-C799 HydrophobicContact CD2-CB 4.04Å; I796-C799 HydrophobicContact CB-CB 4.46Å; I796-C799 VanDerWaalsContact O-CB 3.3Å; I796-C799 WeakPolarHBondContact O-CB 3.49Å; I796-C799 PolarHBondContact O-N 3.49Å; I796-C799 PolarHBondContact O-SG 3.45Å; G797-C799 PolarHBondContact O-N 3.23Å; C799-N801 VanDerWaalsContact C-N 3.26Å; C799-N801 PolarHBondContact O-N 3.36Å; C799-N801 VanDerWaalsContact O-N 3.1Å; C799-V802 HydrophobicContact CB-CG2 3.9Å; C799-V802 PolarHBondContact O-N 3.09Å; C799-V802 VanDerWaalsContact O-N 3.13Å
800R85.4Confident83.1Confident167 Ų16759 Ų5963%0.6329%0.291SS*.THydrogen-bonded Turntrans-61.4-19-167.3-68.7172-177.7164.10.2117.1W798W798-R800 VanDerWaalsContact C-N 3.33Å; W798-R800 PolarHBondContact O-N 3.3Å
801N86.9Confident83Confident98 Ų9855.7 Ų55.752%0.52428%0.276SS..THydrogen-bonded Turntrans-96.3-0.7-179.4-73.3-11.9000113.4N774 L776 C799 V803N774-N801 WeakPolarHBondContact O-CB 3.25Å; N774-N801 PolarHBondContact O-ND2 3.49Å; L776-N801 CarbonylContact O-C 3.46Å; C799-N801 VanDerWaalsContact C-N 3.26Å; C799-N801 PolarHBondContact O-N 3.36Å; C799-N801 VanDerWaalsContact O-N 3.1Å; N801-V803 PolarHBondContact O-N 3.42Å; N801-V803 VanDerWaalsContact O-N 3.13Å
802V86.6Confident82.8Confident8 Ų856.2 Ų56.25%0.04828%0.279CS..  trans-73.2102.9161.8-170.10000106.9L776 I781 C799 L831L776-V802 HydrophobicContact CB-CG2 4.28Å; L776-V802 HydrophobicContact CD2-CG2 3.96Å; L776-V802 HydrophobicContact CG-CG2 3.83Å; L776-V802 WeakPolarHBondContact O-CG2 3.26Å; L776-V802 PolarHBondContact O-N 3.45Å; I781-V802 HydrophobicContact CD1-CB 4.39Å; I781-V802 HydrophobicContact CD1-CG1 3.47Å; I781-V802 VanDerWaalsContact CD1-CG1 3.47Å; I781-V802 HydrophobicContact CD1-CG2 3.97Å; C799-V802 HydrophobicContact CB-CG2 3.9Å; C799-V802 PolarHBondContact O-N 3.09Å; C799-V802 VanDerWaalsContact O-N 3.13Å; V802-L831 HydrophobicContact CB-CD1 4.09Å; V802-L831 HydrophobicContact CB-CD2 4.18Å; V802-L831 HydrophobicContact CG1-CD1 3.74Å; V802-L831 HydrophobicContact CG1-CD2 3.65Å; V802-L831 HydrophobicContact CG1-CG 4.35Å; V802-L831 WeakPolarHBondContact O-CD2 3.45Å
803V72.4Confident82.6Confident93 Ų9358 Ų5856%0.56429%0.287SS*.  trans-106.5113.2176.7-179.70000108.4N801 T805N801-V803 PolarHBondContact O-N 3.42Å; N801-V803 VanDerWaalsContact O-N 3.13Å; V803-T805 PolarHBondContact O-N 3.46Å; V803-T805 VanDerWaalsContact O-N 3.16Å
804S62.4Low82.4Confident44 Ų4455.6 Ų55.631%0.30828%0.276SS..  trans-68.1107.2162.6-178.90000108.2S808S804-S808 PolarHBondContact OG-O 2.93Å
805T59.8Low82.2Confident68 Ų6855.5 Ų55.542%0.41728%0.275SS..  trans-76.6161157.365.10000108V803 E807 S808V803-T805 PolarHBondContact O-N 3.46Å; V803-T805 VanDerWaalsContact O-N 3.16Å; T805-E807 PolarHBondContact O-N 2.83Å; T805-E807 PolarHBondContact OG1-N 3.07Å; T805-S808 PolarHBondContact O-N 3.24Å; T805-S808 WeakPolarHBondContact OG1-CB 3.45Å; T805-S808 PolarHBondContact OG1-N 3.33Å
806Q49.7Very low82.1Confident200 Ų20056.4 Ų56.494%0.93528%0.282SS*.THydrogen-bonded Turntrans-63.2-0.5173.5-68.2-171.9-35.300114.2
807E52.5Low82Confident185 Ų18561.5 Ų61.586%0.86430%0.302SS*.THydrogen-bonded Turntrans-106.6-8.6174.8-56.4176.2156.200112.2T805T805-E807 PolarHBondContact O-N 2.83Å; T805-E807 PolarHBondContact OG1-N 3.07Å
808S60.4Low82.1Confident32 Ų3261.5 Ų61.522%0.22430%0.302CS..  trans-12566.8-167.5-158.10000112.5S804 T805 C810S804-S808 PolarHBondContact OG-O 2.93Å; T805-S808 PolarHBondContact O-N 3.24Å; T805-S808 WeakPolarHBondContact OG1-CB 3.45Å; T805-S808 PolarHBondContact OG1-N 3.33Å; S808-C810 PolarHBondContact O-N 2.99Å
809N82.9Confident82.1Confident70 Ų7062.4 Ų62.437%0.37431%0.31SS..  trans-71.253.6172-53.221.1000110.5I811 V812 H813N809-I811 VanDerWaalsContact C-N 3.3Å; N809-I811 PolarHBondContact O-N 2.88Å; N809-V812 HydrophobicContact CB-CB 4.01Å; N809-V812 HydrophobicContact CB-CG2 4.12Å; N809-V812 WeakPolarHBondContact O-CB 3.41Å; N809-V812 PolarHBondContact O-N 3.19Å; N809-H813 PolarHBondContact O-N 3.22Å
810C89.7Confident82.2Confident5 Ų566.6 Ų66.63%0.03433%0.329CS..Hα-helixtrans-63.5-32.7-164.462.80000113.2A778 I781 S808 L814A778-C810 HydrophobicContact CB-CB 4.07Å; I781-C810 HydrophobicContact CG2-CB 4.1Å; S808-C810 PolarHBondContact O-N 2.99Å; C810-L814 WeakPolarHBondContact O-CB 3.33Å; C810-L814 PolarHBondContact O-N 3.19Å
811I93.1Very high82.7Confident2 Ų258.7 Ų58.71%0.0130%0.299CS..Hα-helixtrans-71.6-36.6175.2-50.5-55.7000111.2I781 I796 N809 L814 T815 L824 L826 L831 L832 I840I781-I811 HydrophobicContact CD1-CD1 3.99Å; I781-I811 HydrophobicContact CG2-CD1 4.3Å; I796-I811 HydrophobicContact CD1-CD1 3.65Å; N809-I811 VanDerWaalsContact C-N 3.3Å; N809-I811 PolarHBondContact O-N 2.88Å; I811-L814 PolarHBondContact O-N 3.39Å; I811-T815 WeakPolarHBondContact O-CG2 3.42Å; I811-T815 PolarHBondContact O-N 3.13Å; I811-T815 PolarHBondContact O-OG1 2.9Å; I811-T815 VanDerWaalsContact O-OG1 3.13Å; I811-L824 HydrophobicContact CG2-CD2 4.12Å; I811-L826 HydrophobicContact CD1-CD2 4.25Å; I811-L826 HydrophobicContact CG2-CD1 4.31Å; I811-L831 HydrophobicContact CD1-CD1 4.18Å; I811-L831 HydrophobicContact CG1-CB 4.2Å; I811-L831 HydrophobicContact CG1-CD1 4.31Å; I811-L832 HydrophobicContact CB-CD2 4.03Å; I811-L832 HydrophobicContact CG1-CD2 4.44Å; I811-L832 HydrophobicContact CG2-CD2 4.1Å; I811-I840 HydrophobicContact CG2-CD1 3.83Å
812V92.9Very high83.2Confident10 Ų1057.1 Ų57.16%0.06129%0.288CS..Hα-helixtrans-68.1-42.6174.6-175.60000110.7N809 L814 T815 S816 E836 L839 Y843N809-V812 HydrophobicContact CB-CB 4.01Å; N809-V812 HydrophobicContact CB-CG2 4.12Å; N809-V812 WeakPolarHBondContact O-CB 3.41Å; N809-V812 PolarHBondContact O-N 3.19Å; V812-L814 VanDerWaalsContact C-N 3.33Å; V812-L814 PolarHBondContact O-N 3.3Å; V812-T815 PolarHBondContact O-N 2.73Å; V812-T815 PolarHBondContact O-OG1 3.32Å; V812-S816 VanDerWaalsContact O-CB 3.3Å; V812-S816 WeakPolarHBondContact O-CB 3.38Å; V812-S816 PolarHBondContact O-N 3.39Å; V812-S816 PolarHBondContact O-OG 2.94Å; V812-E836 HydrophobicContact CG2-CB 3.68Å; V812-E836 HydrophobicContact CG2-CG 3.82Å; V812-L839 HydrophobicContact CG1-CB 3.8Å; V812-L839 HydrophobicContact CG1-CD1 3.92Å; V812-L839 HydrophobicContact CG1-CG 4.48Å; V812-Y843 HydrophobicContact CG1-CD2 4.34Å; V812-Y843 HydrophobicContact CG1-CE2 3.73Å
813H92.2Very high83.8Confident76 Ų7659.3 Ų59.335%0.35230%0.297SS..Hα-helixtrans-60.2-43.4172.4-177.7-98.7000111.3S785 N809 S816 R817S785-H813 PolarHBondContact OG-CE1 3.2Å; S785-H813 PolarHBondContact OG-ND1 3.4Å; N809-H813 PolarHBondContact O-N 3.22Å; H813-S816 PolarHBondContact O-N 3.12Å; H813-S816 PolarHBondContact O-OG 2.84Å; H813-R817 WeakPolarHBondContact CE1-CD 3.49Å; H813-R817 PolarHBondContact O-N 3.44Å
814L94.6Very high85Confident1 Ų154.9 Ų54.91%0.00527%0.27CS..Hα-helixtrans-60.6-52.7176.1-174146.8000112.1I781 I784 L794 C810 I811 V812 S816 R817 V818 L821I781-L814 HydrophobicContact CG2-CB 4.29Å; I781-L814 HydrophobicContact CG2-CD1 3.78Å; I784-L814 HydrophobicContact CB-CD1 4.45Å; I784-L814 HydrophobicContact CG2-CD1 4.07Å; L794-L814 HydrophobicContact CD2-CD1 3.61Å; L794-L814 HydrophobicContact CD2-CD2 4.06Å; C810-L814 WeakPolarHBondContact O-CB 3.33Å; C810-L814 PolarHBondContact O-N 3.19Å; I811-L814 PolarHBondContact O-N 3.39Å; V812-L814 VanDerWaalsContact C-N 3.33Å; V812-L814 PolarHBondContact O-N 3.3Å; L814-S816 VanDerWaalsContact C-N 3.32Å; L814-S816 PolarHBondContact O-N 3.02Å; L814-R817 PolarHBondContact O-N 3.38Å; L814-R817 VanDerWaalsContact O-N 3.16Å; L814-V818 HydrophobicContact CD2-CB 4.15Å; L814-V818 HydrophobicContact CD2-CG2 4.19Å; L814-V818 HydrophobicContact CG-CG2 4.07Å; L814-V818 VanDerWaalsContact O-CB 3.32Å; L814-V818 WeakPolarHBondContact O-CB 3.47Å; L814-V818 WeakPolarHBondContact O-CG2 3.32Å; L814-V818 PolarHBondContact O-N 3.42Å; L814-L821 HydrophobicContact CD2-CD2 4.24Å
815T94.6Very high86.6Confident0 Ų053.9 Ų53.90%026%0.26CS..Hα-helixtrans-66.8-31.6-178.855.30000112.9I811 V812 R817 L821 L824 I840 V844I811-T815 WeakPolarHBondContact O-CG2 3.42Å; I811-T815 PolarHBondContact O-N 3.13Å; I811-T815 PolarHBondContact O-OG1 2.9Å; I811-T815 VanDerWaalsContact O-OG1 3.13Å; V812-T815 PolarHBondContact O-N 2.73Å; V812-T815 PolarHBondContact O-OG1 3.32Å; T815-R817 PolarHBondContact O-N 3.1Å; T815-L821 HydrophobicContact CG2-CD2 4.13Å; T815-L824 HydrophobicContact CG2-CD2 4.28Å; T815-I840 HydrophobicContact CG2-CG1 4.08Å; T815-I840 HydrophobicContact CG2-CG2 4.27Å; T815-V844 HydrophobicContact CG2-CG1 4.44Å; T815-V844 HydrophobicContact CG2-CG2 4.41Å
816S94.5Very high88.2Confident32 Ų3250.7 Ų50.722%0.22424%0.24CC..Hα-helixtrans-60.2-28.817478.80000113.6V812 H813 L814 Q819V812-S816 VanDerWaalsContact O-CB 3.3Å; V812-S816 WeakPolarHBondContact O-CB 3.38Å; V812-S816 PolarHBondContact O-N 3.39Å; V812-S816 PolarHBondContact O-OG 2.94Å; H813-S816 PolarHBondContact O-N 3.12Å; H813-S816 PolarHBondContact O-OG 2.84Å; L814-S816 VanDerWaalsContact C-N 3.32Å; L814-S816 PolarHBondContact O-N 3.02Å; S816-Q819 PolarHBondContact O-NE2 3.13Å
817R95Very high90.2Very high108 Ų10841.7 Ų41.741%0.40820%0.199SC..Hα-helixtrans-100.9-38.4-179-63.9178.565.8108.72.5112.8S785 L789 H813 L814 T815 Q819S785-R817 WeakPolarHBondContact O-CD 3.5Å; S785-R817 PolarHBondContact O-NE 2.91Å; L789-R817 HydrophobicContact CD2-CB 4.23Å; H813-R817 WeakPolarHBondContact CE1-CD 3.49Å; H813-R817 PolarHBondContact O-N 3.44Å; L814-R817 PolarHBondContact O-N 3.38Å; L814-R817 VanDerWaalsContact O-N 3.16Å; T815-R817 PolarHBondContact O-N 3.1Å; R817-Q819 PolarHBondContact O-N 3.49Å
818V94.6Very high91.9Very high0 Ų033.9 Ų33.90%017%0.168CC..  trans-9564.6-175.9-1730000109.5L791 L814 H820 L821L791-V818 HydrophobicContact CB-CG1 3.73Å; L791-V818 WeakPolarHBondContact O-CG1 3.4Å; L814-V818 HydrophobicContact CD2-CB 4.15Å; L814-V818 HydrophobicContact CD2-CG2 4.19Å; L814-V818 HydrophobicContact CG-CG2 4.07Å; L814-V818 VanDerWaalsContact O-CB 3.32Å; L814-V818 WeakPolarHBondContact O-CB 3.47Å; L814-V818 WeakPolarHBondContact O-CG2 3.32Å; L814-V818 PolarHBondContact O-N 3.42Å; V818-H820 PolarHBondContact O-N 3.01Å; V818-H820 VanDerWaalsContact O-N 3.15Å; V818-L821 HydrophobicContact CG1-CB 4.29Å; V818-L821 HydrophobicContact CG1-CD1 4.47Å; V818-L821 WeakPolarHBondContact O-CB 3.01Å; V818-L821 PolarHBondContact O-N 3.43Å
819Q91.3Very high93.1Very high111 Ų11133.4 Ų33.452%0.51916%0.164SC..THydrogen-bonded Turntrans-72.2-7.2-172.9-63.5174.38.700113.6S816 R817 T847S816-Q819 PolarHBondContact O-NE2 3.13Å; R817-Q819 PolarHBondContact O-N 3.49Å; Q819-T847 WeakPolarHBondContact O-CB 3.19Å; Q819-T847 WeakPolarHBondContact O-CG2 3.36Å; Q819-T847 PolarHBondContact O-OG1 3.37Å
820H94.5Very high93.2Very high89 Ų8933.4 Ų33.441%0.41216%0.164SC..THydrogen-bonded Turntrans-88.71.3175.4-65.9-66000114.4L789 Q790 L791 V818 K822L789-H820 PolarHBondContact O-CD2 3.29Å; Q790-H820 PolarHBondContact NE2-CD2 2.89Å; Q790-H820 PolarHBondContact NE2-NE2 3.47Å; Q790-H820 VanDerWaalsContact NE2-NE2 3.14Å; L791-H820 CarbonylContact O-C 3.45Å; V818-H820 PolarHBondContact O-N 3.01Å; V818-H820 VanDerWaalsContact O-N 3.15Å; H820-K822 PolarHBondContact O-N 3.32Å
821L96.8Very high93Very high0 Ų033.4 Ų33.40%016%0.164CC..  trans-63.5122.2-176.4-16469.1000111.8L791 L794 L814 T815 V818 L824 V844 T847 L848L791-L821 PolarHBondContact O-N 3.3Å; L794-L821 HydrophobicContact CB-CD1 4.11Å; L814-L821 HydrophobicContact CD2-CD2 4.24Å; T815-L821 HydrophobicContact CG2-CD2 4.13Å; V818-L821 HydrophobicContact CG1-CB 4.29Å; V818-L821 HydrophobicContact CG1-CD1 4.47Å; V818-L821 WeakPolarHBondContact O-CB 3.01Å; V818-L821 PolarHBondContact O-N 3.43Å; L821-L824 HydrophobicContact CD2-CB 4Å; L821-L824 HydrophobicContact CD2-CD1 4.24Å; L821-L824 HydrophobicContact CD2-CD2 4.09Å; L821-L824 HydrophobicContact CD2-CG 4.33Å; L821-V844 HydrophobicContact CB-CG1 4.17Å; L821-T847 CarbonylContact O-C 3.52Å; L821-L848 PolarHBondContact O-N 3.14Å
822K97.4Very high92.8Very high65 Ų6533.5 Ų33.528%0.28316%0.164SC..  trans-103.4-32.9177.6-60.7174.9-176.8166.20112.5E792 H820 E849 Q850E792-K822 HydrophobicContact CB-CD 4.22Å; E792-K822 HydrophobicContact CB-CG 4.4Å; E792-K822 WeakPolarHBondContact O-CA 3.42Å; E792-K822 WeakPolarHBondContact O-CB 3.12Å; E792-K822 PolarHBondContact O-N 2.75Å; E792-K822 IonicContact OE1-NZ 3.75Å; E792-K822 WeakPolarHBondContact OE2-CE 3.47Å; E792-K822 IonicContact OE2-NZ 3.85Å; E792-K822 PolarHBondContact OE2-NZ 3.05Å; H820-K822 PolarHBondContact O-N 3.32Å; K822-E849 HydrophobicContact CB-CB 4.4Å; K822-E849 HydrophobicContact CB-CG 4.22Å; K822-E849 HydrophobicContact CG-CG 4.47Å; K822-E849 CarbonylContact O-C 3.54Å; K822-E849 WeakPolarHBondContact O-CA 3.45Å; K822-E849 PolarHBondContact O-N 3.12Å; K822-Q850 PolarHBondContact O-N 3.24Å
823K98Very high92.6Very high54 Ų5435.7 Ų35.724%0.23518%0.176CC..EExtended strand (participates in β ladder)trans-130.7130.2-179.8-50.7-171.4-175.8153.30111.1E792 E793 L794 F825 Q850E792-K823 PolarHBondContact O-N 3.47Å; E793-K823 WeakPolarHBondContact CA-O 3.49Å; E793-K823 HydrophobicContact CB-CB 4.26Å; E793-K823 HydrophobicContact CG-CB 4.15Å; E793-K823 HydrophobicContact CG-CD 4.05Å; E793-K823 HydrophobicContact CG-CG 4.08Å; E793-K823 WeakPolarHBondContact OE1-CD 3.29Å; E793-K823 VanDerWaalsContact OE1-CE 3.24Å; E793-K823 WeakPolarHBondContact OE1-CE 3.07Å; E793-K823 IonicContact OE1-NZ 2.96Å; E793-K823 PolarHBondContact OE1-NZ 3.09Å; L794-K823 PolarHBondContact N-O 3.4Å; K823-F825 HydrophobicContact CB-CE2 3.72Å; K823-F825 HydrophobicContact CB-CZ 4.25Å; K823-F825 HydrophobicContact CD-CE2 4.21Å; K823-F825 HydrophobicContact CD-CZ 4.21Å; K823-Q850 WeakPolarHBondContact CA-O 3.46Å; K823-Q850 HydrophobicContact CB-CB 4.29Å; K823-Q850 HydrophobicContact CD-CB 4.49Å; K823-Q850 HydrophobicContact CG-CB 4Å
824L97.3Very high92.6Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-133.9118.7177-179.254.4000109.6L794 I811 T815 L821 L826 L848 Q850 L851 D852L794-L824 HydrophobicContact CB-CD1 4.3Å; L794-L824 HydrophobicContact CD2-CD1 4.29Å; L794-L824 HydrophobicContact CG-CD1 4.47Å; L794-L824 WeakPolarHBondContact O-CA 3.45Å; I811-L824 HydrophobicContact CG2-CD2 4.12Å; T815-L824 HydrophobicContact CG2-CD2 4.28Å; L821-L824 HydrophobicContact CD2-CB 4Å; L821-L824 HydrophobicContact CD2-CD1 4.24Å; L821-L824 HydrophobicContact CD2-CD2 4.09Å; L821-L824 HydrophobicContact CD2-CG 4.33Å; L824-L826 HydrophobicContact CD1-CD2 3.92Å; L824-L826 HydrophobicContact CD1-CG 4.15Å; L824-L826 HydrophobicContact CD2-CD1 4.12Å; L824-L826 HydrophobicContact CG-CD1 4.1Å; L824-L826 HydrophobicContact CG-CD2 4.31Å; L824-L826 HydrophobicContact CG-CG 4Å; L824-L848 HydrophobicContact CB-CD1 4.36Å; L824-Q850 PolarHBondContact N-O 3.32Å; L824-Q850 VanDerWaalsContact N-O 3.13Å; L824-L851 HydrophobicContact CB-CD1 4Å; L824-L851 HydrophobicContact CD2-CD1 4.18Å; L824-L851 HydrophobicContact CG-CD1 4.14Å; L824-D852 PolarHBondContact O-N 3.5Å
825F96.5Very high92.4Very high23 Ų2339.7 Ų39.710%0.10120%0.197CC..EExtended strand (participates in β ladder)trans-113.8118178.9-53.3-95.5000110.6L794 D795 I796 G797 K823 Q850 D852 Y957L794-F825 PolarHBondContact O-N 3.29Å; D795-F825 HydrophobicContact CB-CB 4.03Å; D795-F825 HydrophobicContact CB-CD2 3.89Å; D795-F825 HydrophobicContact CB-CG 4.28Å; I796-F825 PolarHBondContact N-O 3.46Å; I796-F825 VanDerWaalsContact N-O 3.13Å; G797-F825 PolarHBondContact N-O 3.48Å; K823-F825 HydrophobicContact CB-CE2 3.72Å; K823-F825 HydrophobicContact CB-CZ 4.25Å; K823-F825 HydrophobicContact CD-CE2 4.21Å; K823-F825 HydrophobicContact CD-CZ 4.21Å; F825-Q850 HydrophobicContact CE1-CG 4.27Å; F825-Q850 HydrophobicContact CZ-CG 4.29Å; F825-D852 HydrophobicContact CB-CB 4.42Å; F825-D852 HydrophobicContact CD1-CB 3.78Å; F825-D852 HydrophobicContact CG-CB 4.48Å; F825-Y957 WeakPolarHBondContact CD1-OH 3.4Å
826L94.5Very high92.3Very high1 Ų140.2 Ų40.21%0.00520%0.199CC..  trans-123.619-175.7-58.5175.2000111.9I796 I811 L824 G828 T829 L832 D852 I853I796-L826 HydrophobicContact CD1-CD2 3.68Å; I796-L826 HydrophobicContact CG1-CD2 3.64Å; I811-L826 HydrophobicContact CD1-CD2 4.25Å; I811-L826 HydrophobicContact CG2-CD1 4.31Å; L824-L826 HydrophobicContact CD1-CD2 3.92Å; L824-L826 HydrophobicContact CD1-CG 4.15Å; L824-L826 HydrophobicContact CD2-CD1 4.12Å; L824-L826 HydrophobicContact CG-CD1 4.1Å; L824-L826 HydrophobicContact CG-CD2 4.31Å; L824-L826 HydrophobicContact CG-CG 4Å; L826-G828 PolarHBondContact O-N 3.04Å; L826-T829 WeakPolarHBondContact O-CB 3.27Å; L826-T829 WeakPolarHBondContact O-CG2 3.18Å; L826-T829 PolarHBondContact O-N 2.92Å; L826-T829 PolarHBondContact O-OG1 3.5Å; L826-L832 HydrophobicContact CD1-CD1 3.43Å; L826-L832 VanDerWaalsContact CD1-CD1 3.43Å; L826-L832 HydrophobicContact CD1-CG 3.9Å; L826-D852 WeakPolarHBondContact CB-O 3.41Å; L826-D852 PolarHBondContact N-O 2.88Å; L826-I853 HydrophobicContact CD1-CG2 4.27Å
827T92Very high92.2Very high12 Ų1238.7 Ų38.77%0.07419%0.188CC..THydrogen-bonded Turntrans-40.5116.6-177.3-20.90000112.1G797 W798 T829 D852 H854G797-T827 CarbonylContact C-O 3.6Å; G797-T827 WeakPolarHBondContact CA-O 3.26Å; W798-T827 PolarHBondContact N-O 3.39Å; T827-T829 PolarHBondContact O-N 3.28Å; T827-T829 VanDerWaalsContact O-N 3.17Å; T827-D852 WeakPolarHBondContact CB-OD2 3.45Å; T827-D852 WeakPolarHBondContact CG2-OD2 3.46Å; T827-D852 PolarHBondContact OG1-OD2 3.09Å; T827-H854 HydrophobicContact CG2-CB 3.86Å
828G86.4Confident92.1Very high21 Ų2136.3 Ų36.322%0.21618%0.184CC..THydrogen-bonded Turntrans61.523.6174.300000115.9L826 H854L826-G828 PolarHBondContact O-N 3.04Å; G828-H854 PolarHBondContact N-O 3.2Å
829T86Confident92Very high21 Ų2138.3 Ų38.313%0.12919%0.194CC..  trans-95.4-25.7177.365.40000113.8I796 L826 T827 L831I796-T829 VanDerWaalsContact O-CG2 3.26Å; I796-T829 WeakPolarHBondContact O-CG2 3.47Å; L826-T829 WeakPolarHBondContact O-CB 3.27Å; L826-T829 WeakPolarHBondContact O-CG2 3.18Å; L826-T829 PolarHBondContact O-N 2.92Å; L826-T829 PolarHBondContact O-OG1 3.5Å; T827-T829 PolarHBondContact O-N 3.28Å; T827-T829 VanDerWaalsContact O-N 3.17Å; T829-L831 HydrophobicContact CG2-CD1 4.22Å; T829-L831 PolarHBondContact O-N 3.48Å; T829-L831 VanDerWaalsContact O-N 3.17Å
830N85.2Confident92.1Very high70 Ų7033 Ų3337%0.37417%0.17SC..  trans52.529-175.2-63.425.5000114.3L832 G855 T857N830-L832 VanDerWaalsContact C-N 3.27Å; N830-L832 PolarHBondContact O-N 3.1Å; N830-G855 PolarHBondContact OD1-O 3.16Å; N830-G855 VanDerWaalsContact OD1-O 3.13Å; N830-T857 VanDerWaalsContact ND2-CG2 3.35Å; N830-T857 WeakPolarHBondContact ND2-CG2 3.42Å; N830-T857 PolarHBondContact ND2-OG1 3.08Å
831L86.4Confident92Very high6 Ų628.9 Ų28.93%0.03115%0.15CC..  trans-76.3-4.5-176-75.4170000115.5I796 V802 I811 T829I796-L831 HydrophobicContact CD1-CD1 4.01Å; V802-L831 HydrophobicContact CB-CD1 4.09Å; V802-L831 HydrophobicContact CB-CD2 4.18Å; V802-L831 HydrophobicContact CG1-CD1 3.74Å; V802-L831 HydrophobicContact CG1-CD2 3.65Å; V802-L831 HydrophobicContact CG1-CG 4.35Å; V802-L831 WeakPolarHBondContact O-CD2 3.45Å; I811-L831 HydrophobicContact CD1-CD1 4.18Å; I811-L831 HydrophobicContact CG1-CB 4.2Å; I811-L831 HydrophobicContact CG1-CD1 4.31Å; T829-L831 HydrophobicContact CG2-CD1 4.22Å; T829-L831 PolarHBondContact O-N 3.48Å; T829-L831 VanDerWaalsContact O-N 3.17Å
832L88.8Confident91.9Very high4 Ų435 Ų352%0.02118%0.179CC..  trans-126.1135.8-175.2-61.6-178.2000112.3I811 L826 N830 E836 L837 I840 I853 I859I811-L832 HydrophobicContact CB-CD2 4.03Å; I811-L832 HydrophobicContact CG1-CD2 4.44Å; I811-L832 HydrophobicContact CG2-CD2 4.1Å; L826-L832 HydrophobicContact CD1-CD1 3.43Å; L826-L832 VanDerWaalsContact CD1-CD1 3.43Å; L826-L832 HydrophobicContact CD1-CG 3.9Å; N830-L832 VanDerWaalsContact C-N 3.27Å; N830-L832 PolarHBondContact O-N 3.1Å; L832-E836 HydrophobicContact CD2-CB 3.95Å; L832-L837 HydrophobicContact CD1-CD1 4.07Å; L832-I840 HydrophobicContact CD1-CD1 3.58Å; L832-I840 HydrophobicContact CD2-CD1 3.46Å; L832-I840 VanDerWaalsContact CD2-CD1 3.46Å; L832-I840 HydrophobicContact CG-CD1 4.2Å; L832-I853 HydrophobicContact CD1-CG2 4.03Å; L832-I859 HydrophobicContact CB-CD1 4.22Å
833N88.7Confident91.7Very high56 Ų5636.2 Ų36.230%0.29918%0.183SC..BIsolated β-bridgetrans-102.1174.4158.580.174.2000111.9E835 E836 L837 N858N833-E835 VanDerWaalsContact C-N 3.32Å; N833-E835 PolarHBondContact O-N 3.4Å; N833-E835 VanDerWaalsContact OD1-CB 3.31Å; N833-E835 WeakPolarHBondContact OD1-CB 3.42Å; N833-E835 PolarHBondContact OD1-N 3.46Å; N833-E836 PolarHBondContact N-OE2 2.9Å; N833-E836 VanDerWaalsContact ND2-CD 3.28Å; N833-E836 WeakPolarHBondContact ND2-CG 3.36Å; N833-E836 PolarHBondContact ND2-OE2 3.5Å; N833-E836 PolarHBondContact O-N 2.78Å; N833-L837 PolarHBondContact O-N 3.5Å; N833-N858 HydrophobicContact CB-CB 4.1Å
834S91.5Very high91.6Very high22 Ų2233.7 Ų33.715%0.15417%0.171CC..Hα-helixtrans-58.2-34.7-177.7-64.20000114.8L838 N858 T860S834-L838 VanDerWaalsContact O-CG 3.3Å; S834-L838 WeakPolarHBondContact O-CG 3.24Å; S834-L838 PolarHBondContact O-N 3.12Å; S834-N858 PolarHBondContact N-O 3.38Å; S834-N858 VanDerWaalsContact N-O 3.1Å; S834-N858 PolarHBondContact OG-O 3.04Å; S834-N858 VanDerWaalsContact OG-O 3.13Å; S834-T860 PolarHBondContact OG-N 3.18Å; S834-T860 PolarHBondContact OG-OG1 2.96Å
835E91Very high91.3Very high138 Ų13834 Ų3465%0.64518%0.175SC*.Hα-helixtrans-72.2-42177.4-170.9178.9173.800111.5N833 L837 L838 L839N833-E835 VanDerWaalsContact C-N 3.32Å; N833-E835 PolarHBondContact O-N 3.4Å; N833-E835 VanDerWaalsContact OD1-CB 3.31Å; N833-E835 WeakPolarHBondContact OD1-CB 3.42Å; N833-E835 PolarHBondContact OD1-N 3.46Å; E835-L837 VanDerWaalsContact C-N 3.33Å; E835-L837 PolarHBondContact O-N 2.99Å; E835-L838 WeakPolarHBondContact O-CB 3.49Å; E835-L838 PolarHBondContact O-N 3.4Å; E835-L839 WeakPolarHBondContact O-CG 3.45Å; E835-L839 PolarHBondContact O-N 3Å; E835-L839 VanDerWaalsContact O-N 3.11Å
836E91.8Very high91.1Very high11 Ų1136.2 Ų36.25%0.05120%0.197CC..Hα-helixtrans-64.4-38.1175.8-66173116.300111.8V812 L832 N833 L838 L839 I840V812-E836 HydrophobicContact CG2-CB 3.68Å; V812-E836 HydrophobicContact CG2-CG 3.82Å; L832-E836 HydrophobicContact CD2-CB 3.95Å; N833-E836 PolarHBondContact N-OE2 2.9Å; N833-E836 VanDerWaalsContact ND2-CD 3.28Å; N833-E836 WeakPolarHBondContact ND2-CG 3.36Å; N833-E836 PolarHBondContact ND2-OE2 3.5Å; N833-E836 PolarHBondContact O-N 2.78Å; E836-L838 VanDerWaalsContact C-N 3.35Å; E836-L839 PolarHBondContact O-N 3.46Å; E836-I840 WeakPolarHBondContact O-CG1 3.36Å; E836-I840 PolarHBondContact O-N 3.12Å
837L92.5Very high91.2Very high0 Ų037.6 Ų37.60%021%0.206CC..Hα-helixtrans-64.9-37.7175.5-170.667.3000112.1L832 N833 E835 I840 G841 L851 I853 I859 A863 I864 I867L832-L837 HydrophobicContact CD1-CD1 4.07Å; N833-L837 PolarHBondContact O-N 3.5Å; E835-L837 VanDerWaalsContact C-N 3.33Å; E835-L837 PolarHBondContact O-N 2.99Å; L837-I840 PolarHBondContact O-N 3.01Å; L837-G841 PolarHBondContact O-N 3.38Å; L837-L851 HydrophobicContact CD1-CD2 3.92Å; L837-I853 HydrophobicContact CD2-CD1 4.26Å; L837-I859 HydrophobicContact CD2-CD1 4.4Å; L837-I859 HydrophobicContact CD2-CG2 3.61Å; L837-A863 HydrophobicContact CD2-CB 3.99Å; L837-I864 HydrophobicContact CD2-CD1 4.03Å; L837-I867 HydrophobicContact CD1-CD1 3.6Å; L837-I867 HydrophobicContact CD2-CG2 4.43Å; L837-I867 HydrophobicContact CG-CD1 3.99Å
838L92.4Very high91.4Very high59 Ų5937 Ų3731%0.30920%0.203SC..Hα-helixtrans-63.1-41.3173.4-72.5167.2000111.8S834 E835 E836 G841 Q842 S866S834-L838 VanDerWaalsContact O-CG 3.3Å; S834-L838 WeakPolarHBondContact O-CG 3.24Å; S834-L838 PolarHBondContact O-N 3.12Å; E835-L838 WeakPolarHBondContact O-CB 3.49Å; E835-L838 PolarHBondContact O-N 3.4Å; E836-L838 VanDerWaalsContact C-N 3.35Å; L838-G841 PolarHBondContact O-N 2.9Å; L838-Q842 WeakPolarHBondContact O-CG 3.44Å; L838-Q842 PolarHBondContact O-N 3.14Å; L838-Q842 VanDerWaalsContact O-N 3.16Å; L838-S866 WeakPolarHBondContact CD2-OG 3.38Å
839L92.9Very high91.9Very high42 Ų4238.5 Ų38.522%0.2220%0.204CC..Hα-helixtrans-67.1-38.1176.5-66.6169.9000112.1V812 E835 E836 G841 Q842 Y843V812-L839 HydrophobicContact CG1-CB 3.8Å; V812-L839 HydrophobicContact CG1-CD1 3.92Å; V812-L839 HydrophobicContact CG1-CG 4.48Å; E835-L839 WeakPolarHBondContact O-CG 3.45Å; E835-L839 PolarHBondContact O-N 3Å; E835-L839 VanDerWaalsContact O-N 3.11Å; E836-L839 PolarHBondContact O-N 3.46Å; L839-G841 VanDerWaalsContact C-N 3.35Å; L839-G841 PolarHBondContact O-N 2.85Å; L839-Q842 PolarHBondContact O-N 2.84Å; L839-Y843 HydrophobicContact CB-CE2 4.14Å; L839-Y843 WeakPolarHBondContact O-CD2 3.32Å; L839-Y843 PolarHBondContact O-N 3.29Å
840I93.8Very high92.5Very high0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-60-44.9172.3-71.7165.9000110.8I811 T815 L832 E836 L837 Q842 Y843 V844 I867I811-I840 HydrophobicContact CG2-CD1 3.83Å; T815-I840 HydrophobicContact CG2-CG1 4.08Å; T815-I840 HydrophobicContact CG2-CG2 4.27Å; L832-I840 HydrophobicContact CD1-CD1 3.58Å; L832-I840 HydrophobicContact CD2-CD1 3.46Å; L832-I840 VanDerWaalsContact CD2-CD1 3.46Å; L832-I840 HydrophobicContact CG-CD1 4.2Å; E836-I840 WeakPolarHBondContact O-CG1 3.36Å; E836-I840 PolarHBondContact O-N 3.12Å; L837-I840 PolarHBondContact O-N 3.01Å; I840-Q842 VanDerWaalsContact C-N 3.27Å; I840-Q842 PolarHBondContact O-N 3.1Å; I840-Y843 PolarHBondContact O-N 2.82Å; I840-V844 HydrophobicContact CG2-CG2 3.84Å; I840-V844 WeakPolarHBondContact O-CG2 3.47Å; I840-V844 PolarHBondContact O-N 3.35Å; I840-I867 HydrophobicContact CG2-CD1 4.36Å
841G92.9Very high93Very high1 Ų135.7 Ų35.71%0.0119%0.187CC..Hα-helixtrans-54.6-42173.700000112.8L837 L838 L839 G845L837-G841 PolarHBondContact O-N 3.38Å; L838-G841 PolarHBondContact O-N 2.9Å; L839-G841 VanDerWaalsContact C-N 3.35Å; L839-G841 PolarHBondContact O-N 2.85Å; G841-G845 WeakPolarHBondContact O-CA 3.48Å; G841-G845 PolarHBondContact O-N 2.9Å
842Q93.2Very high93.4Very high128 Ų12835.6 Ų35.660%0.59819%0.186SC*.Hα-helixtrans-68.9-37.3179.4-68.1174.318.500112.9L838 L839 I840L838-Q842 WeakPolarHBondContact O-CG 3.44Å; L838-Q842 PolarHBondContact O-N 3.14Å; L838-Q842 VanDerWaalsContact O-N 3.16Å; L839-Q842 PolarHBondContact O-N 2.84Å; I840-Q842 VanDerWaalsContact C-N 3.27Å; I840-Q842 PolarHBondContact O-N 3.1Å
843Y94.8Very high93.6Very high92 Ų9235.4 Ų35.436%0.36119%0.185SC..Hα-helixtrans-84.1-32.8-176.5-62.2-45.9000114.6V812 L839 I840V812-Y843 HydrophobicContact CG1-CD2 4.34Å; V812-Y843 HydrophobicContact CG1-CE2 3.73Å; L839-Y843 HydrophobicContact CB-CE2 4.14Å; L839-Y843 WeakPolarHBondContact O-CD2 3.32Å; L839-Y843 PolarHBondContact O-N 3.29Å; I840-Y843 PolarHBondContact O-N 2.82Å
844V94.4Very high93.7Very high0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-123.811-176.7-65.30000114.7T815 L821 I840 A846 T847 L848T815-V844 HydrophobicContact CG2-CG1 4.44Å; T815-V844 HydrophobicContact CG2-CG2 4.41Å; L821-V844 HydrophobicContact CB-CG1 4.17Å; I840-V844 HydrophobicContact CG2-CG2 3.84Å; I840-V844 WeakPolarHBondContact O-CG2 3.47Å; I840-V844 PolarHBondContact O-N 3.35Å; V844-A846 PolarHBondContact O-N 3.07Å; V844-A846 VanDerWaalsContact O-N 3.09Å; V844-T847 PolarHBondContact O-N 3.04Å; V844-T847 PolarHBondContact O-OG1 3.26Å; V844-L848 HydrophobicContact CB-CB 4.42Å; V844-L848 HydrophobicContact CG2-CB 4.2Å; V844-L848 HydrophobicContact CG2-CD1 4.37Å; V844-L848 HydrophobicContact CG2-CD2 4.19Å; V844-L848 WeakPolarHBondContact O-CB 3.47Å; V844-L848 PolarHBondContact O-N 2.87Å
845G91.9Very high93.5Very high8 Ų834.3 Ų34.38%0.08218%0.18CC..THydrogen-bonded Turntrans-57.3-25.7178.400000115.6G841 T847 Q870 C871 S872G841-G845 WeakPolarHBondContact O-CA 3.48Å; G841-G845 PolarHBondContact O-N 2.9Å; G845-T847 VanDerWaalsContact C-N 3.34Å; G845-Q870 CarbonylContact C-O 3.54Å; G845-C871 WeakPolarHBondContact O-CA 3.21Å; G845-S872 PolarHBondContact O-N 3.27Å
846A93.2Very high93.3Very high68 Ų6827.8 Ų27.856%0.56215%0.15SC*.THydrogen-bonded Turntrans-81.5-7.817600000114.3V844 K873V844-A846 PolarHBondContact O-N 3.07Å; V844-A846 VanDerWaalsContact O-N 3.09Å; A846-K873 WeakPolarHBondContact O-CD 3.35Å; A846-K873 WeakPolarHBondContact O-CE 3.34Å; A846-K873 PolarHBondContact O-NZ 3.46Å
847T95.8Very high93Very high31 Ų3130.1 Ų30.119%0.1917%0.165CC..THydrogen-bonded Turntrans-136-28.3-166.735.30000114.7Q819 L821 V844 G845 E849Q819-T847 WeakPolarHBondContact O-CB 3.19Å; Q819-T847 WeakPolarHBondContact O-CG2 3.36Å; Q819-T847 PolarHBondContact O-OG1 3.37Å; L821-T847 CarbonylContact O-C 3.52Å; V844-T847 PolarHBondContact O-N 3.04Å; V844-T847 PolarHBondContact O-OG1 3.26Å; G845-T847 VanDerWaalsContact C-N 3.34Å; T847-E849 PolarHBondContact O-N 2.68Å
848L96.8Very high92.6Very high0 Ų034.3 Ų34.30%019%0.187CC..  trans-66.3120.7-177.1-162.167.4000111.9L821 L824 V844 L851 K873 L874L821-L848 PolarHBondContact O-N 3.14Å; L824-L848 HydrophobicContact CB-CD1 4.36Å; V844-L848 HydrophobicContact CB-CB 4.42Å; V844-L848 HydrophobicContact CG2-CB 4.2Å; V844-L848 HydrophobicContact CG2-CD1 4.37Å; V844-L848 HydrophobicContact CG2-CD2 4.19Å; V844-L848 WeakPolarHBondContact O-CB 3.47Å; V844-L848 PolarHBondContact O-N 2.87Å; L848-L851 HydrophobicContact CD2-CB 4.13Å; L848-L851 HydrophobicContact CD2-CD2 4.37Å; L848-K873 CarbonylContact O-C 3.59Å; L848-L874 HydrophobicContact CD2-CD1 4.25Å; L848-L874 HydrophobicContact CG-CD1 4.11Å; L848-L874 PolarHBondContact O-N 3.26Å
849E96.8Very high92.5Very high52 Ų5231.6 Ų31.624%0.24317%0.173CC..  trans-106.8-26.2178-61.2-172.5-152.800112.6K822 T847 K873 K875 L876K822-E849 HydrophobicContact CB-CB 4.4Å; K822-E849 HydrophobicContact CB-CG 4.22Å; K822-E849 HydrophobicContact CG-CG 4.47Å; K822-E849 CarbonylContact O-C 3.54Å; K822-E849 WeakPolarHBondContact O-CA 3.45Å; K822-E849 PolarHBondContact O-N 3.12Å; T847-E849 PolarHBondContact O-N 2.68Å; E849-K873 HydrophobicContact CG-CB 4.46Å; E849-K875 HydrophobicContact CB-CD 4.47Å; E849-K875 PolarHBondContact O-N 3.31Å; E849-K875 IonicContact OE2-NZ 3.73Å; E849-K875 PolarHBondContact OE2-NZ 3.49Å; E849-L876 PolarHBondContact O-N 3.46Å
850Q97.2Very high92.4Very high31 Ų3132 Ų3215%0.14518%0.177CC..EExtended strand (participates in β ladder)trans-145134.4179.2-178.116711.900111.6K822 K823 L824 F825 L876K822-Q850 PolarHBondContact O-N 3.24Å; K823-Q850 WeakPolarHBondContact CA-O 3.46Å; K823-Q850 HydrophobicContact CB-CB 4.29Å; K823-Q850 HydrophobicContact CD-CB 4.49Å; K823-Q850 HydrophobicContact CG-CB 4Å; L824-Q850 PolarHBondContact N-O 3.32Å; L824-Q850 VanDerWaalsContact N-O 3.13Å; F825-Q850 HydrophobicContact CE1-CG 4.27Å; F825-Q850 HydrophobicContact CZ-CG 4.29Å; Q850-L876 WeakPolarHBondContact CA-O 3.42Å; Q850-L876 HydrophobicContact CG-CB 4.16Å; Q850-L876 HydrophobicContact CG-CD2 4.16Å
851L96.5Very high92.2Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-133.5128.1172.8-178.762.2000110.2L824 L837 L848 I853 I867 L874 L876 L877 D878L824-L851 HydrophobicContact CB-CD1 4Å; L824-L851 HydrophobicContact CD2-CD1 4.18Å; L824-L851 HydrophobicContact CG-CD1 4.14Å; L837-L851 HydrophobicContact CD1-CD2 3.92Å; L848-L851 HydrophobicContact CD2-CB 4.13Å; L848-L851 HydrophobicContact CD2-CD2 4.37Å; L851-I853 HydrophobicContact CD1-CG2 4.01Å; L851-I853 HydrophobicContact CD2-CG2 4.27Å; L851-I853 HydrophobicContact CG-CG2 4.03Å; L851-I867 HydrophobicContact CD2-CD1 3.7Å; L851-L874 HydrophobicContact CB-CD1 4.17Å; L851-L876 PolarHBondContact N-O 3.04Å; L851-L877 HydrophobicContact CB-CD1 3.99Å; L851-L877 HydrophobicContact CD2-CD1 3.98Å; L851-L877 HydrophobicContact CG-CD1 4.12Å; L851-L877 CarbonylContact O-C 3.51Å; L851-L877 WeakPolarHBondContact O-CA 3.4Å; L851-D878 PolarHBondContact O-N 3.06Å
852D94.8Very high92.1Very high4 Ų438 Ų382%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-116.3118.2168.9166.114.8000109L824 F825 L826 T827 H854 D878L824-D852 PolarHBondContact O-N 3.5Å; F825-D852 HydrophobicContact CB-CB 4.42Å; F825-D852 HydrophobicContact CD1-CB 3.78Å; F825-D852 HydrophobicContact CG-CB 4.48Å; L826-D852 WeakPolarHBondContact CB-O 3.41Å; L826-D852 PolarHBondContact N-O 2.88Å; T827-D852 WeakPolarHBondContact CB-OD2 3.45Å; T827-D852 WeakPolarHBondContact CG2-OD2 3.46Å; T827-D852 PolarHBondContact OG1-OD2 3.09Å; D852-H854 WeakPolarHBondContact OD1-CB 3.27Å; D852-H854 PolarHBondContact OD1-N 3.21Å; D852-D878 HydrophobicContact CB-CB 4.2Å
853I93.4Very high92.1Very high0 Ų032 Ų320%019%0.188CC..  trans-123.721.917649.2173.3000111.5L826 L832 L837 L851 G855 S856 I859 I864 L877 D878 V879 C882L826-I853 HydrophobicContact CD1-CG2 4.27Å; L832-I853 HydrophobicContact CD1-CG2 4.03Å; L837-I853 HydrophobicContact CD2-CD1 4.26Å; L851-I853 HydrophobicContact CD1-CG2 4.01Å; L851-I853 HydrophobicContact CD2-CG2 4.27Å; L851-I853 HydrophobicContact CG-CG2 4.03Å; I853-G855 PolarHBondContact O-N 3.26Å; I853-S856 WeakPolarHBondContact O-CB 3.37Å; I853-S856 PolarHBondContact O-N 3.47Å; I853-S856 VanDerWaalsContact O-N 3.09Å; I853-S856 PolarHBondContact O-OG 3.27Å; I853-I859 HydrophobicContact CB-CD1 4.14Å; I853-I859 HydrophobicContact CD1-CD1 3.76Å; I853-I859 HydrophobicContact CD1-CG2 4.34Å; I853-I859 HydrophobicContact CG1-CD1 4.46Å; I853-I859 HydrophobicContact CG2-CD1 4.41Å; I853-I864 HydrophobicContact CD1-CD1 3.7Å; I853-L877 HydrophobicContact CD1-CD1 4.37Å; I853-L877 HydrophobicContact CG1-CD1 4.45Å; I853-D878 VanDerWaalsContact CG1-O 3.22Å; I853-D878 WeakPolarHBondContact CG1-O 3.2Å; I853-D878 PolarHBondContact N-O 3.13Å; I853-D878 VanDerWaalsContact N-O 3.09Å; I853-V879 HydrophobicContact CD1-CG1 3.94Å; I853-V879 HydrophobicContact CG1-CG1 4.13Å; I853-C882 PolarHBondContact O-SG 3.06Å
854H90.3Very high92.1Very high41 Ų4127.6 Ų27.619%0.1917%0.171CC..THydrogen-bonded Turntrans-45.5124.7-178.3168.6-53.1000112.7T827 G828 D852 S880 F881T827-H854 HydrophobicContact CG2-CB 3.86Å; G828-H854 PolarHBondContact N-O 3.2Å; D852-H854 WeakPolarHBondContact OD1-CB 3.27Å; D852-H854 PolarHBondContact OD1-N 3.21Å; H854-S880 CarbonylContact C-O 3.58Å; H854-S880 VanDerWaalsContact CA-O 3.25Å; H854-S880 WeakPolarHBondContact CA-O 3.34Å; H854-F881 AromaticContact CD2-CD2 3.95Å; H854-F881 AromaticContact CE1-CD2 3.51Å; H854-F881 AromaticContact NE2-CD2 3.31Å; H854-F881 VanDerWaalsContact NE2-CD2 3.31Å; H854-F881 WeakPolarHBondContact NE2-CD2 3.36Å; H854-F881 AromaticContact NE2-CE2 3.64Å
855G86.3Confident92Very high15 Ų1529.7 Ų29.716%0.15518%0.184CC..THydrogen-bonded Turntrans85.1-1.8176.700000115.4N830 I853 T857 S880N830-G855 PolarHBondContact OD1-O 3.16Å; N830-G855 VanDerWaalsContact OD1-O 3.13Å; I853-G855 PolarHBondContact O-N 3.26Å; G855-T857 PolarHBondContact O-N 3.21Å; G855-S880 PolarHBondContact N-O 2.97Å
856S88.1Confident92Very high1 Ų131 Ų311%0.00719%0.191CC..  trans-64.2122.3-179.3-620000111.5I853 I859I853-S856 WeakPolarHBondContact O-CB 3.37Å; I853-S856 PolarHBondContact O-N 3.47Å; I853-S856 VanDerWaalsContact O-N 3.09Å; I853-S856 PolarHBondContact O-OG 3.27Å; S856-I859 VanDerWaalsContact CB-CD1 3.41Å
857T84.6Confident92Very high59 Ų5927.7 Ų27.736%0.36216%0.164SC..THydrogen-bonded Turntrans-81.3-22.5-170.447.70000115N830 G855 P883N830-T857 VanDerWaalsContact ND2-CG2 3.35Å; N830-T857 WeakPolarHBondContact ND2-CG2 3.42Å; N830-T857 PolarHBondContact ND2-OG1 3.08Å; G855-T857 PolarHBondContact O-N 3.21Å; T857-P883 HydrophobicContact CG2-CG 4.23Å
858N85.4Confident92Very high89 Ų8926.7 Ų26.748%0.47616%0.157SC..BIsolated β-bridgetrans-113.628.4-163.6-56.24.8000112.8N833 S834N833-N858 HydrophobicContact CB-CB 4.1Å; S834-N858 PolarHBondContact N-O 3.38Å; S834-N858 VanDerWaalsContact N-O 3.1Å; S834-N858 PolarHBondContact OG-O 3.04Å; S834-N858 VanDerWaalsContact OG-O 3.13Å
859I90.2Very high91.8Very high1 Ų131.9 Ų31.91%0.00519%0.185CC..  trans-115.7107.1-172.9-58.5-176.3000110.1L832 L837 I853 S856 I864L832-I859 HydrophobicContact CB-CD1 4.22Å; L837-I859 HydrophobicContact CD2-CD1 4.4Å; L837-I859 HydrophobicContact CD2-CG2 3.61Å; I853-I859 HydrophobicContact CB-CD1 4.14Å; I853-I859 HydrophobicContact CD1-CD1 3.76Å; I853-I859 HydrophobicContact CD1-CG2 4.34Å; I853-I859 HydrophobicContact CG1-CD1 4.46Å; I853-I859 HydrophobicContact CG2-CD1 4.41Å; S856-I859 VanDerWaalsContact CB-CD1 3.41Å; I859-I864 HydrophobicContact CG2-CD1 3.61Å; I859-I864 HydrophobicContact CG2-CG1 4.07Å
860T90.4Very high91.6Very high52 Ų5232 Ų3232%0.31919%0.186SC..  trans-76.7152.9179.158.60000111.8S834 S862 A863 I864 E884S834-T860 PolarHBondContact OG-N 3.18Å; S834-T860 PolarHBondContact OG-OG1 2.96Å; T860-S862 PolarHBondContact O-N 2.94Å; T860-A863 PolarHBondContact O-N 3.22Å; T860-I864 PolarHBondContact O-N 3.12Å; T860-E884 WeakPolarHBondContact CG2-OE2 3.34Å
861I90.1Very high91.3Very high39 Ų3930.7 Ų30.720%0.218%0.18CC..Hα-helixtrans-56-33.2175.8-168.667.6000112.9A863 I864 T865 I885 N889 L890 L893I861-A863 VanDerWaalsContact C-N 3.33Å; I861-A863 PolarHBondContact O-N 2.79Å; I861-I864 WeakPolarHBondContact O-CB 3.34Å; I861-I864 PolarHBondContact O-N 3.13Å; I861-I864 VanDerWaalsContact O-N 3.16Å; I861-T865 PolarHBondContact O-N 2.8Å; I861-T865 PolarHBondContact O-OG1 3.18Å; I861-T865 VanDerWaalsContact O-OG1 3.08Å; I861-I885 HydrophobicContact CD1-CG2 4.38Å; I861-N889 HydrophobicContact CD1-CB 3.67Å; I861-N889 HydrophobicContact CG1-CB 3.78Å; I861-L890 HydrophobicContact CD1-CD2 4.2Å; I861-L893 HydrophobicContact CD1-CD1 3.65Å
862S90.5Very high90.9Very high86 Ų8635.4 Ų35.460%0.60121%0.213SC*.Hα-helixtrans-64.2-35.7177.9-53.50000112.7T860 S866T860-S862 PolarHBondContact O-N 2.94Å; S862-S866 WeakPolarHBondContact O-CB 3.3Å; S862-S866 PolarHBondContact O-N 3.19Å
863A92.6Very high90.8Very high3 Ų340.4 Ų40.43%0.02523%0.234CC..Hα-helixtrans-70.1-35.8174.200000111.6L837 T860 I861 S866 I867L837-A863 HydrophobicContact CD2-CB 3.99Å; T860-A863 PolarHBondContact O-N 3.22Å; I861-A863 VanDerWaalsContact C-N 3.33Å; I861-A863 PolarHBondContact O-N 2.79Å; A863-S866 PolarHBondContact O-N 2.87Å; A863-I867 PolarHBondContact O-N 3.17Å
864I93.8Very high90.9Very high0 Ų040.9 Ų40.90%024%0.237CC..Hα-helixtrans-63.8-49.3173.1-59.1-57.8000111.6L837 I853 I859 T860 I861 S866 I867 L868 L877 V879 I885 L893L837-I864 HydrophobicContact CD2-CD1 4.03Å; I853-I864 HydrophobicContact CD1-CD1 3.7Å; I859-I864 HydrophobicContact CG2-CD1 3.61Å; I859-I864 HydrophobicContact CG2-CG1 4.07Å; T860-I864 PolarHBondContact O-N 3.12Å; I861-I864 WeakPolarHBondContact O-CB 3.34Å; I861-I864 PolarHBondContact O-N 3.13Å; I861-I864 VanDerWaalsContact O-N 3.16Å; I864-S866 PolarHBondContact O-N 2.99Å; I864-I867 WeakPolarHBondContact O-CG2 3.41Å; I864-I867 PolarHBondContact O-N 3.25Å; I864-L868 HydrophobicContact CG2-CD1 3.85Å; I864-L868 WeakPolarHBondContact O-CB 3.49Å; I864-L868 WeakPolarHBondContact O-CG 3.35Å; I864-L868 PolarHBondContact O-N 2.99Å; I864-L877 HydrophobicContact CG2-CD2 4Å; I864-V879 HydrophobicContact CD1-CG1 3.65Å; I864-V879 HydrophobicContact CG1-CG1 4.38Å; I864-I885 HydrophobicContact CD1-CD1 4Å; I864-I885 HydrophobicContact CG1-CD1 3.66Å; I864-L893 HydrophobicContact CG2-CD1 3.76Å
865T92.7Very high91.1Very high44 Ų4444.5 Ų44.527%0.2725%0.252SS..Hα-helixtrans-57.8-39.8174.8-51.90000111.3I861 N869 L893I861-T865 PolarHBondContact O-N 2.8Å; I861-T865 PolarHBondContact O-OG1 3.18Å; I861-T865 VanDerWaalsContact O-OG1 3.08Å; T865-N869 PolarHBondContact O-N 3.37Å; T865-N869 PolarHBondContact O-ND2 3Å; T865-L893 HydrophobicContact CG2-CD2 4.18Å
866S92.4Very high91.4Very high34 Ų3445.6 Ų45.624%0.23825%0.254CS..Hα-helixtrans-69.7-40.6179.6-165.40000113.1L838 S862 A863 I864 N869 Q870L838-S866 WeakPolarHBondContact CD2-OG 3.38Å; S862-S866 WeakPolarHBondContact O-CB 3.3Å; S862-S866 PolarHBondContact O-N 3.19Å; A863-S866 PolarHBondContact O-N 2.87Å; I864-S866 PolarHBondContact O-N 2.99Å; S866-N869 PolarHBondContact O-N 3.08Å; S866-Q870 WeakPolarHBondContact O-CB 3.42Å; S866-Q870 VanDerWaalsContact O-CG 3.27Å; S866-Q870 WeakPolarHBondContact O-CG 3.41Å; S866-Q870 PolarHBondContact O-N 3.3Å; S866-Q870 PolarHBondContact O-NE2 3.3Å; S866-Q870 PolarHBondContact OG-NE2 2.97Å
867I94.3Very high91.8Very high0 Ų045.6 Ų45.60%025%0.254CS..Hα-helixtrans-71.9-31.4176.3-159162.1000112.2L837 I840 L851 A863 I864 N869 Q870 C871L837-I867 HydrophobicContact CD1-CD1 3.6Å; L837-I867 HydrophobicContact CD2-CG2 4.43Å; L837-I867 HydrophobicContact CG-CD1 3.99Å; I840-I867 HydrophobicContact CG2-CD1 4.36Å; L851-I867 HydrophobicContact CD2-CD1 3.7Å; A863-I867 PolarHBondContact O-N 3.17Å; I864-I867 WeakPolarHBondContact O-CG2 3.41Å; I864-I867 PolarHBondContact O-N 3.25Å; I867-N869 VanDerWaalsContact C-N 3.35Å; I867-Q870 PolarHBondContact O-N 2.89Å; I867-C871 HydrophobicContact CG1-CB 4.47Å; I867-C871 WeakPolarHBondContact CG1-SG 3.41Å; I867-C871 VanDerWaalsContact O-CB 3.23Å; I867-C871 WeakPolarHBondContact O-CB 3.4Å; I867-C871 PolarHBondContact O-N 3.23Å
868L94Very high92.1Very high9 Ų943.9 Ų43.95%0.04724%0.243CC..Hα-helixtrans-64.7-35.9170.2-73.6163.3000112.5I864 L874 L877 L893 Y897 C900 I902I864-L868 HydrophobicContact CG2-CD1 3.85Å; I864-L868 WeakPolarHBondContact O-CB 3.49Å; I864-L868 WeakPolarHBondContact O-CG 3.35Å; I864-L868 PolarHBondContact O-N 2.99Å; L868-L874 HydrophobicContact CD2-CD2 4.18Å; L868-L877 HydrophobicContact CD1-CD2 4.3Å; L868-L877 HydrophobicContact CD2-CD2 3.96Å; L868-L877 HydrophobicContact CG-CD2 4.02Å; L868-L893 HydrophobicContact CD1-CB 4.17Å; L868-L893 HydrophobicContact CD1-CD1 3.94Å; L868-L893 HydrophobicContact CD1-CD2 4.12Å; L868-L893 HydrophobicContact CD1-CG 4.31Å; L868-Y897 HydrophobicContact CB-CD1 3.92Å; L868-Y897 HydrophobicContact CB-CD2 3.85Å; L868-Y897 HydrophobicContact CB-CE1 3.79Å; L868-Y897 HydrophobicContact CB-CE2 3.74Å; L868-Y897 HydrophobicContact CB-CG 3.96Å; L868-Y897 HydrophobicContact CD1-CD2 3.77Å; L868-Y897 HydrophobicContact CD1-CE2 4Å; L868-Y897 HydrophobicContact CD1-CG 4.41Å; L868-Y897 HydrophobicContact CD2-CD2 4.35Å; L868-Y897 HydrophobicContact CD2-CG 4.17Å; L868-Y897 HydrophobicContact CG-CD2 4.21Å; L868-Y897 HydrophobicContact CG-CE2 4.44Å; L868-Y897 HydrophobicContact CG-CG 4.41Å; L868-C900 HydrophobicContact CD2-CB 4.13Å; L868-I902 HydrophobicContact CD1-CD1 3.79Å; L868-I902 HydrophobicContact CD2-CD1 4.17Å; L868-I902 HydrophobicContact CD2-CG1 4.38Å
869N92.6Very high92.4Very high109 Ų10939.7 Ų39.758%0.58322%0.221SC*.Hα-helixtrans-70.2-37.8171.9-81.1-30.3000113.4T865 S866 I867 Y897T865-N869 PolarHBondContact O-N 3.37Å; T865-N869 PolarHBondContact O-ND2 3Å; S866-N869 PolarHBondContact O-N 3.08Å; I867-N869 VanDerWaalsContact C-N 3.35Å; N869-Y897 PolarHBondContact ND2-OH 3.12Å; N869-Y897 PolarHBondContact OD1-OH 2.86Å
870Q92.3Very high92.3Very high55 Ų5540 Ų4026%0.25722%0.223SC..Hα-helixtrans-82.4-39.6-175.8-69.9175.463.200112.9G845 S866 I867 S872G845-Q870 CarbonylContact C-O 3.54Å; S866-Q870 WeakPolarHBondContact O-CB 3.42Å; S866-Q870 VanDerWaalsContact O-CG 3.27Å; S866-Q870 WeakPolarHBondContact O-CG 3.41Å; S866-Q870 PolarHBondContact O-N 3.3Å; S866-Q870 PolarHBondContact O-NE2 3.3Å; S866-Q870 PolarHBondContact OG-NE2 2.97Å; I867-Q870 PolarHBondContact O-N 2.89Å; Q870-S872 PolarHBondContact O-N 2.84Å
871C92.4Very high92Very high3 Ų343.5 Ų43.52%0.0223%0.234CC..  trans-86.970.4-176-64.30000112.1G845 I867 K873 L874G845-C871 WeakPolarHBondContact O-CA 3.21Å; I867-C871 HydrophobicContact CG1-CB 4.47Å; I867-C871 WeakPolarHBondContact CG1-SG 3.41Å; I867-C871 VanDerWaalsContact O-CB 3.23Å; I867-C871 WeakPolarHBondContact O-CB 3.4Å; I867-C871 PolarHBondContact O-N 3.23Å; C871-K873 PolarHBondContact O-N 3.4Å; C871-L874 HydrophobicContact CB-CB 3.85Å; C871-L874 HydrophobicContact CB-CD2 4.25Å; C871-L874 HydrophobicContact CB-CG 4.46Å; C871-L874 VanDerWaalsContact O-CB 3.29Å; C871-L874 WeakPolarHBondContact O-CB 3.38Å; C871-L874 PolarHBondContact O-N 2.93Å
872S88.3Confident91.9Very high99 Ų9941.9 Ų41.969%0.69223%0.226SC*.THydrogen-bonded Turntrans-52.4-9.1179.961.10000117.2G845 Q870G845-S872 PolarHBondContact O-N 3.27Å; Q870-S872 PolarHBondContact O-N 2.84Å
873K93Very high91.6Very high109 Ų10941.6 Ų41.647%0.47422%0.222SC..THydrogen-bonded Turntrans-115.23.7178.5-67.1178.7-175.81630114.1A846 L848 E849 C871 K875A846-K873 WeakPolarHBondContact O-CD 3.35Å; A846-K873 WeakPolarHBondContact O-CE 3.34Å; A846-K873 PolarHBondContact O-NZ 3.46Å; L848-K873 CarbonylContact O-C 3.59Å; E849-K873 HydrophobicContact CG-CB 4.46Å; C871-K873 PolarHBondContact O-N 3.4Å; K873-K875 PolarHBondContact O-N 2.93Å
874L94.8Very high91Very high10 Ų1046 Ų465%0.05224%0.242CC..  trans-68.5112.1-173.2-16366.8000110.9L848 L851 L868 C871 L877 C900L848-L874 HydrophobicContact CD2-CD1 4.25Å; L848-L874 HydrophobicContact CG-CD1 4.11Å; L848-L874 PolarHBondContact O-N 3.26Å; L851-L874 HydrophobicContact CB-CD1 4.17Å; L868-L874 HydrophobicContact CD2-CD2 4.18Å; C871-L874 HydrophobicContact CB-CB 3.85Å; C871-L874 HydrophobicContact CB-CD2 4.25Å; C871-L874 HydrophobicContact CB-CG 4.46Å; C871-L874 VanDerWaalsContact O-CB 3.29Å; C871-L874 WeakPolarHBondContact O-CB 3.38Å; C871-L874 PolarHBondContact O-N 2.93Å; L874-L877 HydrophobicContact CD2-CB 4.01Å; L874-L877 HydrophobicContact CD2-CD1 4.47Å; L874-L877 HydrophobicContact CD2-CD2 4.23Å; L874-L877 HydrophobicContact CD2-CG 4.47Å; L874-C900 WeakPolarHBondContact O-CA 3.49Å; L874-C900 VanDerWaalsContact O-CB 3.25Å; L874-C900 WeakPolarHBondContact O-CB 3.44Å; L874-C900 PolarHBondContact O-SG 3.45Å
875K93.8Very high90.5Very high118 Ų11846.9 Ų46.951%0.51325%0.246SC..  trans-95.7-24.5-179-64.8165.1-171.71710112.8E849 K873 T901E849-K875 HydrophobicContact CB-CD 4.47Å; E849-K875 PolarHBondContact O-N 3.31Å; E849-K875 IonicContact OE2-NZ 3.73Å; E849-K875 PolarHBondContact OE2-NZ 3.49Å; K873-K875 PolarHBondContact O-N 2.93Å; K875-T901 WeakPolarHBondContact O-CB 3.48Å; K875-T901 PolarHBondContact O-N 3.02Å; K875-T901 PolarHBondContact O-OG1 3.03Å
876L93.8Very high89.7Confident38 Ų3850.8 Ų50.820%0.19926%0.261CS..EExtended strand (participates in β ladder)trans-147.1129-179.4-168162.1000109.9E849 Q850 L851 D878 T901 I903E849-L876 PolarHBondContact O-N 3.46Å; Q850-L876 WeakPolarHBondContact CA-O 3.42Å; Q850-L876 HydrophobicContact CG-CB 4.16Å; Q850-L876 HydrophobicContact CG-CD2 4.16Å; L851-L876 PolarHBondContact N-O 3.04Å; L876-D878 HydrophobicContact CD2-CB 4.43Å; L876-T901 WeakPolarHBondContact CA-O 3.49Å; L876-I903 HydrophobicContact CD1-CD1 4.16Å; L876-I903 HydrophobicContact CD2-CD1 3.85Å; L876-I903 HydrophobicContact CD2-CG1 4.44Å; L876-I903 HydrophobicContact CG-CD1 4.05Å
877L94.8Very high88.9Confident0 Ų052.1 Ų52.10%027%0.27CS..EExtended strand (participates in β ladder)trans-130113175.1175.958.1000109.2L851 I853 I864 L868 L874 V879 T901 I902 I903L851-L877 HydrophobicContact CB-CD1 3.99Å; L851-L877 HydrophobicContact CD2-CD1 3.98Å; L851-L877 HydrophobicContact CG-CD1 4.12Å; L851-L877 CarbonylContact O-C 3.51Å; L851-L877 WeakPolarHBondContact O-CA 3.4Å; I853-L877 HydrophobicContact CD1-CD1 4.37Å; I853-L877 HydrophobicContact CG1-CD1 4.45Å; I864-L877 HydrophobicContact CG2-CD2 4Å; L868-L877 HydrophobicContact CD1-CD2 4.3Å; L868-L877 HydrophobicContact CD2-CD2 3.96Å; L868-L877 HydrophobicContact CG-CD2 4.02Å; L874-L877 HydrophobicContact CD2-CB 4.01Å; L874-L877 HydrophobicContact CD2-CD1 4.47Å; L874-L877 HydrophobicContact CD2-CD2 4.23Å; L874-L877 HydrophobicContact CD2-CG 4.47Å; L877-V879 HydrophobicContact CD1-CG1 4.28Å; L877-V879 HydrophobicContact CD2-CG1 4.42Å; L877-V879 HydrophobicContact CG-CG1 4.08Å; L877-T901 PolarHBondContact N-O 3.31Å; L877-I902 CarbonylContact O-C 3.56Å; L877-I902 WeakPolarHBondContact O-CA 3.36Å; L877-I903 PolarHBondContact O-N 3.33Å
878D92.6Very high88Confident23 Ų2354.3 Ų54.312%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-96116.4174.8-158.2-29.8000111L851 D852 I853 L876 S880 I903L851-D878 PolarHBondContact O-N 3.06Å; D852-D878 HydrophobicContact CB-CB 4.2Å; I853-D878 VanDerWaalsContact CG1-O 3.22Å; I853-D878 WeakPolarHBondContact CG1-O 3.2Å; I853-D878 PolarHBondContact N-O 3.13Å; I853-D878 VanDerWaalsContact N-O 3.09Å; L876-D878 HydrophobicContact CD2-CB 4.43Å; D878-S880 WeakPolarHBondContact OD1-CB 3.14Å; D878-S880 PolarHBondContact OD1-N 3.22Å; D878-S880 PolarHBondContact OD1-OG 3.31Å; D878-I903 HydrophobicContact CB-CB 4.36Å
879V91.8Very high87.4Confident2 Ų257.3 Ų57.31%0.01231%0.31CS..  trans-119.319.9176.6-70.60000111.8I853 I864 L877 C882 I885 L890 I902 I903I853-V879 HydrophobicContact CD1-CG1 3.94Å; I853-V879 HydrophobicContact CG1-CG1 4.13Å; I864-V879 HydrophobicContact CD1-CG1 3.65Å; I864-V879 HydrophobicContact CG1-CG1 4.38Å; L877-V879 HydrophobicContact CD1-CG1 4.28Å; L877-V879 HydrophobicContact CD2-CG1 4.42Å; L877-V879 HydrophobicContact CG-CG1 4.08Å; V879-C882 WeakPolarHBondContact O-CB 3.44Å; V879-C882 PolarHBondContact O-N 3.29Å; V879-C882 PolarHBondContact O-SG 3.11Å; V879-I885 HydrophobicContact CB-CD1 3.9Å; V879-I885 HydrophobicContact CG1-CD1 3.97Å; V879-I885 HydrophobicContact CG2-CG2 4.43Å; V879-L890 HydrophobicContact CG2-CD1 3.9Å; V879-L890 HydrophobicContact CG2-CD2 4.18Å; V879-I902 HydrophobicContact CG2-CG2 3.92Å; V879-I903 WeakPolarHBondContact CG2-O 3.44Å; V879-I903 PolarHBondContact N-O 3.27Å
880S87.8Confident87Confident7 Ų752.2 Ų52.25%0.04928%0.282CS..THydrogen-bonded Turntrans-59.1138.9178.7-56.20000111.7H854 G855 D878 C882 D904H854-S880 CarbonylContact C-O 3.58Å; H854-S880 VanDerWaalsContact CA-O 3.25Å; H854-S880 WeakPolarHBondContact CA-O 3.34Å; G855-S880 PolarHBondContact N-O 2.97Å; D878-S880 WeakPolarHBondContact OD1-CB 3.14Å; D878-S880 PolarHBondContact OD1-N 3.22Å; D878-S880 PolarHBondContact OD1-OG 3.31Å; S880-C882 PolarHBondContact O-N 2.71Å; S880-C882 VanDerWaalsContact O-N 3.13Å; S880-D904 VanDerWaalsContact OG-C 3.26Å
881F84.4Confident86.6Confident126 Ų12652.9 Ų52.955%0.55329%0.287SS*.THydrogen-bonded Turntrans61.712.2179.2-54.4-86.4000115.8H854 P883 S905H854-F881 AromaticContact CD2-CD2 3.95Å; H854-F881 AromaticContact CE1-CD2 3.51Å; H854-F881 AromaticContact NE2-CD2 3.31Å; H854-F881 VanDerWaalsContact NE2-CD2 3.31Å; H854-F881 WeakPolarHBondContact NE2-CD2 3.36Å; H854-F881 AromaticContact NE2-CE2 3.64Å; F881-P883 WeakPolarHBondContact O-CD 3.27Å; F881-S905 VanDerWaalsContact N-CB 3.31Å; F881-S905 PolarHBondContact N-OG 2.88Å
882C88.2Confident86.3Confident5 Ų559.7 Ų59.73%0.03432%0.316CS..  trans-75.4112.4167.9-63.70000109.8I853 V879 S880 E884 I885I853-C882 PolarHBondContact O-SG 3.06Å; V879-C882 WeakPolarHBondContact O-CB 3.44Å; V879-C882 PolarHBondContact O-N 3.29Å; V879-C882 PolarHBondContact O-SG 3.11Å; S880-C882 PolarHBondContact O-N 2.71Å; S880-C882 VanDerWaalsContact O-N 3.13Å; C882-E884 PolarHBondContact O-N 2.74Å; C882-I885 HydrophobicContact CB-CB 4.26Å; C882-I885 HydrophobicContact CB-CD1 3.63Å; C882-I885 HydrophobicContact CB-CG1 3.97Å; C882-I885 PolarHBondContact O-N 3.14Å
883P82.7Confident86.3Confident80 Ų8055.3 Ų55.352%0.51929%0.285SS..THydrogen-bonded Turntrans-72.1-25.7-163.628.7-36000114.8T857 F881 I885T857-P883 HydrophobicContact CG2-CG 4.23Å; F881-P883 WeakPolarHBondContact O-CD 3.27Å; P883-I885 VanDerWaalsContact C-N 3.26Å; P883-I885 PolarHBondContact O-N 2.93Å
884E80.3Confident86.1Confident95 Ų9553.2 Ų53.244%0.44427%0.274SS..THydrogen-bonded Turntrans-81.2-4.5178-58.4-170.315300113T860 C882T860-E884 WeakPolarHBondContact CG2-OE2 3.34Å; C882-E884 PolarHBondContact O-N 2.74Å
885I83.3Confident85.7Confident18 Ų1861.8 Ų61.89%0.09231%0.307CS..  trans-10295.5-173.3-60.2-176.9000109.7I861 I864 V879 C882 P883 L890I861-I885 HydrophobicContact CD1-CG2 4.38Å; I864-I885 HydrophobicContact CD1-CD1 4Å; I864-I885 HydrophobicContact CG1-CD1 3.66Å; V879-I885 HydrophobicContact CB-CD1 3.9Å; V879-I885 HydrophobicContact CG1-CD1 3.97Å; V879-I885 HydrophobicContact CG2-CG2 4.43Å; C882-I885 HydrophobicContact CB-CB 4.26Å; C882-I885 HydrophobicContact CB-CD1 3.63Å; C882-I885 HydrophobicContact CB-CG1 3.97Å; C882-I885 PolarHBondContact O-N 3.14Å; P883-I885 VanDerWaalsContact C-N 3.26Å; P883-I885 PolarHBondContact O-N 2.93Å; I885-L890 HydrophobicContact CG2-CD1 3.74Å; I885-L890 HydrophobicContact CG2-CD2 3.52Å; I885-L890 HydrophobicContact CG2-CG 3.7Å
886H76.9Confident85.4Confident127 Ų12760.6 Ų60.659%0.58831%0.306SS*.  trans-79.2135.3176.8-56.4-30.7000112G888 N889H886-G888 PolarHBondContact O-N 3.35Å; H886-G888 VanDerWaalsContact O-N 3.15Å; H886-N889 WeakPolarHBondContact O-CB 3.35Å; H886-N889 PolarHBondContact O-N 2.84Å
887S74.7Confident85.3Confident61 Ų6160.7 Ų60.743%0.42730%0.304SS..Hα-helixtrans-57.8-30.8-175.453.60000114.4N889 L890 I891S887-N889 VanDerWaalsContact C-N 3.26Å; S887-N889 PolarHBondContact O-N 3.26Å; S887-L890 PolarHBondContact O-N 3.29Å; S887-I891 WeakPolarHBondContact O-CG1 3.36Å; S887-I891 PolarHBondContact O-N 3.13Å; S887-I891 VanDerWaalsContact O-N 3.08Å
888G76.5Confident84.9Confident47 Ų4764 Ų6449%0.48533%0.325SS..Hα-helixtrans-55.4-38.7173.400000113.5H886H886-G888 PolarHBondContact O-N 3.35Å; H886-G888 VanDerWaalsContact O-N 3.15Å
889N80.9Confident84.6Confident72 Ų7270.2 Ų70.239%0.38535%0.351SS..Hα-helixtrans-74.2-34.3176.4-66.2-23.4000111.7I861 H886 S887 I891 K892 L893I861-N889 HydrophobicContact CD1-CB 3.67Å; I861-N889 HydrophobicContact CG1-CB 3.78Å; H886-N889 WeakPolarHBondContact O-CB 3.35Å; H886-N889 PolarHBondContact O-N 2.84Å; S887-N889 VanDerWaalsContact C-N 3.26Å; S887-N889 PolarHBondContact O-N 3.26Å; N889-I891 VanDerWaalsContact C-N 3.32Å; N889-I891 PolarHBondContact O-N 2.98Å; N889-K892 WeakPolarHBondContact O-CB 3.44Å; N889-K892 PolarHBondContact O-N 3.07Å; N889-L893 PolarHBondContact O-N 3.4Å
890L84.8Confident84.6Confident2 Ų270.7 Ų70.71%0.0136%0.355CS..Hα-helixtrans-67.1-31.2178.2-63.2-172.1000112.7I861 V879 I885 S887 K892 L893 R894 I902 D904I861-L890 HydrophobicContact CD1-CD2 4.2Å; V879-L890 HydrophobicContact CG2-CD1 3.9Å; V879-L890 HydrophobicContact CG2-CD2 4.18Å; I885-L890 HydrophobicContact CG2-CD1 3.74Å; I885-L890 HydrophobicContact CG2-CD2 3.52Å; I885-L890 HydrophobicContact CG2-CG 3.7Å; S887-L890 PolarHBondContact O-N 3.29Å; L890-K892 VanDerWaalsContact C-N 3.34Å; L890-L893 HydrophobicContact CD2-CD1 4.09Å; L890-L893 PolarHBondContact O-N 3.17Å; L890-R894 WeakPolarHBondContact O-CB 3.49Å; L890-R894 WeakPolarHBondContact O-CG 3.35Å; L890-R894 PolarHBondContact O-N 3.49Å; L890-I902 HydrophobicContact CD2-CG2 4.28Å; L890-D904 HydrophobicContact CD1-CB 3.42Å; L890-D904 VanDerWaalsContact CD1-CB 3.42Å
891I83.2Confident84.7Confident68 Ų6873.8 Ų73.835%0.34937%0.373SS..Hα-helixtrans-60.4-45.2171.7-64.5161.4000110.4S887 N889 L893 R894 Y895 L914S887-I891 WeakPolarHBondContact O-CG1 3.36Å; S887-I891 PolarHBondContact O-N 3.13Å; S887-I891 VanDerWaalsContact O-N 3.08Å; N889-I891 VanDerWaalsContact C-N 3.32Å; N889-I891 PolarHBondContact O-N 2.98Å; I891-L893 VanDerWaalsContact C-N 3.34Å; I891-L893 PolarHBondContact O-N 3.31Å; I891-R894 PolarHBondContact O-N 3.16Å; I891-Y895 PolarHBondContact O-N 2.72Å; I891-Y895 VanDerWaalsContact O-N 3.13Å; I891-L914 HydrophobicContact CD1-CD1 3.87Å
892K85.4Confident85Confident147 Ų14768 Ų6864%0.63935%0.348SS*.Hα-helixtrans-62.9-39.1176.2-172.2173.2-179.21750111.7N889 L890 Y895 L896N889-K892 WeakPolarHBondContact O-CB 3.44Å; N889-K892 PolarHBondContact O-N 3.07Å; L890-K892 VanDerWaalsContact C-N 3.34Å; K892-Y895 PolarHBondContact O-N 2.99Å; K892-L896 HydrophobicContact CG-CD1 4.16Å; K892-L896 VanDerWaalsContact O-CG 3.31Å; K892-L896 WeakPolarHBondContact O-CG 3.49Å; K892-L896 PolarHBondContact O-N 3.23Å; K892-L896 VanDerWaalsContact O-N 3.12Å
893L88.6Confident84.9Confident7 Ų770.6 Ų70.64%0.03736%0.361CS..Hα-helixtrans-70.7-41.2176.2-64.8177000112.9I861 I864 T865 L868 N889 L890 I891 Y895 L896 Y897 I902I861-L893 HydrophobicContact CD1-CD1 3.65Å; I864-L893 HydrophobicContact CG2-CD1 3.76Å; T865-L893 HydrophobicContact CG2-CD2 4.18Å; L868-L893 HydrophobicContact CD1-CB 4.17Å; L868-L893 HydrophobicContact CD1-CD1 3.94Å; L868-L893 HydrophobicContact CD1-CD2 4.12Å; L868-L893 HydrophobicContact CD1-CG 4.31Å; N889-L893 PolarHBondContact O-N 3.4Å; L890-L893 HydrophobicContact CD2-CD1 4.09Å; L890-L893 PolarHBondContact O-N 3.17Å; I891-L893 VanDerWaalsContact C-N 3.34Å; I891-L893 PolarHBondContact O-N 3.31Å; L893-Y895 PolarHBondContact O-N 2.84Å; L893-L896 PolarHBondContact O-N 3.4Å; L893-L896 VanDerWaalsContact O-N 3.11Å; L893-Y897 HydrophobicContact CB-CD2 4.4Å; L893-Y897 HydrophobicContact CD2-CD2 4.21Å; L893-Y897 HydrophobicContact CD2-CE2 3.71Å; L893-Y897 WeakPolarHBondContact O-CD2 3.25Å; L893-Y897 PolarHBondContact O-N 3.27Å; L893-I902 HydrophobicContact CB-CD1 3.74Å
894R89.2Confident84.8Confident64 Ų6467.8 Ų67.824%0.24234%0.341CS..Hα-helixtrans-58.1-34.5173.8-77.1178.6176.3143.514.8111.9L890 I891 I902 D904 D908L890-R894 WeakPolarHBondContact O-CB 3.49Å; L890-R894 WeakPolarHBondContact O-CG 3.35Å; L890-R894 PolarHBondContact O-N 3.49Å; I891-R894 PolarHBondContact O-N 3.16Å; R894-I902 HydrophobicContact CG-CB 4.25Å; R894-I902 HydrophobicContact CG-CD1 4.43Å; R894-I902 PolarHBondContact NE-O 2.95Å; R894-I902 VanDerWaalsContact NE-O 3.09Å; R894-I902 PolarHBondContact NH2-O 2.65Å; R894-D904 IonicContact CZ-OD1 2.68Å; R894-D904 IonicContact NH1-OD1 2.65Å; R894-D904 PolarHBondContact NH1-OD1 3.34Å; R894-D904 IonicContact NH2-OD1 3.35Å; R894-D904 PolarHBondContact NH2-OD1 3.15Å; R894-D908 IonicContact CZ-OD2 2.65Å; R894-D908 IonicContact NH1-OD2 3.15Å; R894-D908 PolarHBondContact NH1-OD2 3.04Å
895Y86Confident84.5Confident190 Ų19065.7 Ų65.775%0.74534%0.337SS*.Hα-helixtrans-71.3-41.2173.5-177.3-94.3000113.2I891 K892 L893I891-Y895 PolarHBondContact O-N 2.72Å; I891-Y895 VanDerWaalsContact O-N 3.13Å; K892-Y895 PolarHBondContact O-N 2.99Å; L893-Y895 PolarHBondContact O-N 2.84Å
896L88.8Confident83.4Confident93 Ų9370.2 Ų70.249%0.48736%0.36SS..Hα-helixtrans-76.2-27.5-178.1-70.2170.1000114K892 L893 P898K892-L896 HydrophobicContact CG-CD1 4.16Å; K892-L896 VanDerWaalsContact O-CG 3.31Å; K892-L896 WeakPolarHBondContact O-CG 3.49Å; K892-L896 PolarHBondContact O-N 3.23Å; K892-L896 VanDerWaalsContact O-N 3.12Å; L893-L896 PolarHBondContact O-N 3.4Å; L893-L896 VanDerWaalsContact O-N 3.11Å; L896-P898 VanDerWaalsContact C-CD 3.43Å; L896-P898 WeakPolarHBondContact O-CD 3.44Å
897Y89.6Confident82.1Confident41 Ų4169.1 Ų69.116%0.16137%0.365CS..  trans-124.960.3-176.1-53.6-82.3000112.2L868 N869 L893 F899 C900L868-Y897 HydrophobicContact CB-CD1 3.92Å; L868-Y897 HydrophobicContact CB-CD2 3.85Å; L868-Y897 HydrophobicContact CB-CE1 3.79Å; L868-Y897 HydrophobicContact CB-CE2 3.74Å; L868-Y897 HydrophobicContact CB-CG 3.96Å; L868-Y897 HydrophobicContact CD1-CD2 3.77Å; L868-Y897 HydrophobicContact CD1-CE2 4Å; L868-Y897 HydrophobicContact CD1-CG 4.41Å; L868-Y897 HydrophobicContact CD2-CD2 4.35Å; L868-Y897 HydrophobicContact CD2-CG 4.17Å; L868-Y897 HydrophobicContact CG-CD2 4.21Å; L868-Y897 HydrophobicContact CG-CE2 4.44Å; L868-Y897 HydrophobicContact CG-CG 4.41Å; N869-Y897 PolarHBondContact ND2-OH 3.12Å; N869-Y897 PolarHBondContact OD1-OH 2.86Å; L893-Y897 HydrophobicContact CB-CD2 4.4Å; L893-Y897 HydrophobicContact CD2-CD2 4.21Å; L893-Y897 HydrophobicContact CD2-CE2 3.71Å; L893-Y897 WeakPolarHBondContact O-CD2 3.25Å; L893-Y897 PolarHBondContact O-N 3.27Å; Y897-F899 PolarHBondContact O-N 3.5Å; Y897-C900 PolarHBondContact O-N 3.39Å
898P86.6Confident80.6Confident68 Ų6869.9 Ų69.944%0.44236%0.364SS..THydrogen-bonded Turntrans-65.4-11.7-170.227.7-37.1000115.1L896L896-P898 VanDerWaalsContact C-CD 3.43Å; L896-P898 WeakPolarHBondContact O-CD 3.44Å
899F87.3Confident78.6Confident155 Ų15574.8 Ų74.868%0.6838%0.376SS*.THydrogen-bonded Turntrans-88.1-6.2173.8-58.5-69.4000113.6Y897 P944Y897-F899 PolarHBondContact O-N 3.5Å; F899-P944 HydrophobicContact CE1-CG 4.09Å
900C90.7Very high76.4Confident12 Ų1275 Ų758%0.08138%0.377CS..SBendtrans-109.4118.3178.4-166.10000111L868 L874 Y897 I902L868-C900 HydrophobicContact CD2-CB 4.13Å; L874-C900 WeakPolarHBondContact O-CA 3.49Å; L874-C900 VanDerWaalsContact O-CB 3.25Å; L874-C900 WeakPolarHBondContact O-CB 3.44Å; L874-C900 PolarHBondContact O-SG 3.45Å; Y897-C900 PolarHBondContact O-N 3.39Å; C900-I902 PolarHBondContact O-N 3.4Å
901T90.4Very high74.1Confident72 Ų7277.9 Ų77.944%0.44240%0.401SS..EExtended strand (participates in β ladder)trans-75.393.3171.9-55.80000109.5K875 L876 L877 I903K875-T901 WeakPolarHBondContact O-CB 3.48Å; K875-T901 PolarHBondContact O-N 3.02Å; K875-T901 PolarHBondContact O-OG1 3.03Å; L876-T901 WeakPolarHBondContact CA-O 3.49Å; L877-T901 PolarHBondContact N-O 3.31Å; T901-I903 HydrophobicContact CG2-CG1 4.22Å
902I90.2Very high72Confident5 Ų579.3 Ų79.33%0.02641%0.407CS..EExtended strand (participates in β ladder)trans-81.4118173.8-54.2172.1000108.6L868 L877 V879 L890 L893 R894 C900L868-I902 HydrophobicContact CD1-CD1 3.79Å; L868-I902 HydrophobicContact CD2-CD1 4.17Å; L868-I902 HydrophobicContact CD2-CG1 4.38Å; L877-I902 CarbonylContact O-C 3.56Å; L877-I902 WeakPolarHBondContact O-CA 3.36Å; V879-I902 HydrophobicContact CG2-CG2 3.92Å; L890-I902 HydrophobicContact CD2-CG2 4.28Å; L893-I902 HydrophobicContact CB-CD1 3.74Å; R894-I902 HydrophobicContact CG-CB 4.25Å; R894-I902 HydrophobicContact CG-CD1 4.43Å; R894-I902 PolarHBondContact NE-O 2.95Å; R894-I902 VanDerWaalsContact NE-O 3.09Å; R894-I902 PolarHBondContact NH2-O 2.65Å; C900-I902 PolarHBondContact O-N 3.4Å
903I86.9Confident69.7Low59 Ų5975 Ų7530%0.30339%0.39SS..EExtended strand (participates in β ladder)trans-100.8138.3179.6-51.4-179.2000109.7L876 L877 D878 V879 T901L876-I903 HydrophobicContact CD1-CD1 4.16Å; L876-I903 HydrophobicContact CD2-CD1 3.85Å; L876-I903 HydrophobicContact CD2-CG1 4.44Å; L876-I903 HydrophobicContact CG-CD1 4.05Å; L877-I903 PolarHBondContact O-N 3.33Å; D878-I903 HydrophobicContact CB-CB 4.36Å; V879-I903 WeakPolarHBondContact CG2-O 3.44Å; V879-I903 PolarHBondContact N-O 3.27Å; T901-I903 HydrophobicContact CG2-CG1 4.22Å
904D80.8Confident67.4Low20 Ų2078.3 Ų78.311%0.10741%0.407CS..  trans-134.4165.4176.475.4-48.7000112.8S880 L890 R894 I906S880-D904 VanDerWaalsContact OG-C 3.26Å; L890-D904 HydrophobicContact CD1-CB 3.42Å; L890-D904 VanDerWaalsContact CD1-CB 3.42Å; R894-D904 IonicContact CZ-OD1 2.68Å; R894-D904 IonicContact NH1-OD1 2.65Å; R894-D904 PolarHBondContact NH1-OD1 3.34Å; R894-D904 IonicContact NH2-OD1 3.35Å; R894-D904 PolarHBondContact NH2-OD1 3.15Å; D904-I906 PolarHBondContact O-N 3.16Å
905S73.6Confident64.8Low51 Ų5178.5 Ų78.536%0.35743%0.429SS..SBendtrans-66.3-1.4-170.319.10000115.7F881F881-S905 VanDerWaalsContact N-CB 3.31Å; F881-S905 PolarHBondContact N-OG 2.88Å
906I59.5Low62.4Low113 Ų11374.1 Ų74.158%0.57942%0.418SS*.SBendtrans-121103.6174.6-56.8178.1000107.2D904 D908D904-I906 PolarHBondContact O-N 3.16Å; I906-D908 PolarHBondContact O-N 2.91Å
907P49.6Very low59.7Low104 Ų10474 Ų7468%0.67541%0.412SS*.  trans-52.2132.9175.7-27.535.4000111.2M909P907-M909 VanDerWaalsContact C-N 3.25Å; P907-M909 PolarHBondContact O-N 3.11Å
908D43.7Very low57Low77 Ų7776.7 Ų76.741%0.41243%0.428SS..  trans-76.768.6-160.8-152.2-18.4000113.4R894 I906 N910 A911R894-D908 IonicContact CZ-OD2 2.65Å; R894-D908 IonicContact NH1-OD2 3.15Å; R894-D908 PolarHBondContact NH1-OD2 3.04Å; I906-D908 PolarHBondContact O-N 2.91Å; D908-N910 PolarHBondContact O-N 3.18Å; D908-N910 VanDerWaalsContact O-N 3.09Å; D908-N910 PolarHBondContact OD1-N 3.25Å; D908-A911 PolarHBondContact OD1-N 3.37Å
909M34.9Very low54.3Low150 Ų15079 Ų7974%0.73944%0.443SS*.THydrogen-bonded Turntrans-62-9.7172.8-69.3-79.9-77.600112.9P907P907-M909 VanDerWaalsContact C-N 3.25Å; P907-M909 PolarHBondContact O-N 3.11Å
910N34.5Very low51.8Low77 Ų7780.3 Ų80.341%0.41245%0.451SS..THydrogen-bonded Turntrans-124-0.5-161.3-68.1-9.2000114.9D908 E912 I913 L914D908-N910 PolarHBondContact O-N 3.18Å; D908-N910 VanDerWaalsContact O-N 3.09Å; D908-N910 PolarHBondContact OD1-N 3.25Å; N910-E912 VanDerWaalsContact C-N 3.3Å; N910-E912 PolarHBondContact O-N 2.86Å; N910-I913 HydrophobicContact CB-CD1 3.93Å; N910-I913 HydrophobicContact CB-CG1 4.39Å; N910-I913 WeakPolarHBondContact O-CA 3.39Å; N910-I913 VanDerWaalsContact O-CB 3.31Å; N910-I913 WeakPolarHBondContact O-CB 3.3Å; N910-I913 PolarHBondContact O-N 3.39Å; N910-I913 WeakPolarHBondContact OD1-CD1 3.3Å; N910-L914 HydrophobicContact CB-CD1 4.36Å; N910-L914 PolarHBondContact O-N 3.48Å
911A37.1Very low49Very low62 Ų6286 Ų8651%0.51248%0.478SS..Hα-helixtrans-54.4-40.6178.900000113.5D908 I913D908-A911 PolarHBondContact OD1-N 3.37Å; A911-I913 PolarHBondContact O-N 3.36Å
912E38.5Very low46.3Very low99 Ų9988.3 Ų88.346%0.46349%0.486SS..Hα-helixtrans-67.5-20.4174.1-75.3-151.8120.300113.9N910 N916N910-E912 VanDerWaalsContact C-N 3.3Å; N910-E912 PolarHBondContact O-N 2.86Å; E912-N916 PolarHBondContact O-ND2 3.11Å; E912-N916 VanDerWaalsContact O-ND2 3.11Å
913I38.3Very low43.7Very low57 Ų5795.1 Ų95.129%0.29252%0.521SS..Hα-helixtrans-85.8-47.5-174.4-47.6177.5000111L236 N910 A911L236-I913 HydrophobicContact CD1-CD1 3.71Å; L236-I913 HydrophobicContact CD1-CG1 4.47Å; L236-I913 HydrophobicContact CD2-CD1 3.64Å; L236-I913 HydrophobicContact CD2-CG1 3.52Å; L236-I913 HydrophobicContact CG-CD1 3.66Å; L236-I913 HydrophobicContact CG-CG1 3.88Å; N910-I913 HydrophobicContact CB-CD1 3.93Å; N910-I913 HydrophobicContact CB-CG1 4.39Å; N910-I913 WeakPolarHBondContact O-CA 3.39Å; N910-I913 VanDerWaalsContact O-CB 3.31Å; N910-I913 WeakPolarHBondContact O-CB 3.3Å; N910-I913 PolarHBondContact O-N 3.39Å; N910-I913 WeakPolarHBondContact OD1-CD1 3.3Å; A911-I913 PolarHBondContact O-N 3.36Å
914L38.3Very low41.1Very low76 Ų7699.2 Ų99.240%0.39854%0.544SS..Hα-helixtrans-77.2-31.9-172.9-73.7158.1000112.2I891 N910 N916 R917I891-L914 HydrophobicContact CD1-CD1 3.87Å; N910-L914 HydrophobicContact CB-CD1 4.36Å; N910-L914 PolarHBondContact O-N 3.48Å; L914-N916 PolarHBondContact O-N 3.46Å; L914-R917 PolarHBondContact O-N 3.3Å
915G36.2Very low38.8Very low67 Ų67107.6 Ų107.669%0.69158%0.582SS**THydrogen-bonded Turntrans-64.33.3176.800000116.3
916N35.1Very low36.9Very low99 Ų99111 Ų11153%0.52960%0.601SS.*THydrogen-bonded Turntrans-12413.4177-67.3-83.6000113.7E912 L914E912-N916 PolarHBondContact O-ND2 3.11Å; E912-N916 VanDerWaalsContact O-ND2 3.11Å; L914-N916 PolarHBondContact O-N 3.46Å
917R31.7Very low35.7Very low91 Ų91112.8 Ų112.834%0.34361%0.612SS.*SBendtrans-133.816.4-176.2-69.2-169.7176.9-108.7-6115.8Y232 E234 L914Y232-R917 VanDerWaalsContact CE1-NH1 3.33Å; E234-R917 PolarHBondContact O-NH2 3.47Å; L914-R917 PolarHBondContact O-N 3.3Å
918L32.7Very low35Very low96 Ų96115.6 Ų115.650%0.50362%0.621SS.*  trans-118.111.3-177-79.5165.8000119.1I922L918-I922 HydrophobicContact CD2-CD1 3.95Å; L918-I922 HydrophobicContact CD2-CG1 4.37Å
919P31.4Very low34.6Very low117 Ų117120.2 Ų120.276%0.7664%0.642SS**SBendtrans-76.1-19.9170.8-2033.6000117
920E34.7Very low34.8Very low182 Ų182120.9 Ų120.985%0.8565%0.649SS**SBendtrans-131.518.1-164.6-64-172.9136.400115.2
921M31.7Very low34.8Very low133 Ų133126.2 Ų126.266%0.65567%0.671SS**SBendtrans-134.215.1-173.3-110.3-171.273.100116.3Y232Y232-M921 PolarHBondContact OH-SD 3.23Å
922I34Very low34.9Very low119 Ų119131.7 Ų131.761%0.6169%0.686SS**  trans-138.883.2170.6-50.6178.5000108.3L918L918-I922 HydrophobicContact CD2-CD1 3.95Å; L918-I922 HydrophobicContact CD2-CG1 4.37Å
923I34.3Very low34.7Very low148 Ų148134.3 Ų134.376%0.75970%0.704SS**SBendtrans-134.8-32.8172.4-69.4-175.8000110.1
924D32Very low34.6Very low145 Ų145139.3 Ų139.378%0.77573%0.729SS**SBendtrans-90.9156.3164.1-55.3-60.8000110.6
925E32.7Very low34.3Very low196 Ų196142.5 Ų142.592%0.91675%0.752SS**  trans70.352.2-176-58-172.7-173.900116.6
926V34.9Very low34.2Very low123 Ų123142.2 Ų142.275%0.74575%0.749SS**  trans-132.972.7153.7-169.20000110.4
927D32.6Very low33.9Very low151 Ų151145 Ų14581%0.80776%0.764SS**  trans-94.2156.9155-76.3-53.4000108.8
928D35.1Very low34.1Very low162 Ų162149.5 Ų149.587%0.86679%0.788SS**SBendtrans61.261.7168.6-61.6-21.1000119.1
929M36.9Very low34Very low175 Ų175153.1 Ų153.186%0.86280%0.802SS**  trans-148.9139.4140.5-80.4-146.9-55.100111.8
930D38.3Very low33.9Very low164 Ų164154 Ų15488%0.87781%0.808SS**  trans-69.9133.9-166.5-52-81.9000115.5E932D930-E932 PolarHBondContact O-N 2.94Å
931E34.8Very low33.7Very low189 Ų189152.7 Ų152.788%0.88381%0.806SS**  trans-77.9-9.1-173.5-64.7-170115.400115.9N933E931-N933 VanDerWaalsContact C-N 3.3Å; E931-N933 PolarHBondContact O-N 3.47Å
932E38.1Very low33.7Very low177 Ų177150.9 Ų150.983%0.82781%0.812SS**THydrogen-bonded Turntrans-71.8-0.3-157.4-68.3-157.4135.300117.8D930D930-E932 PolarHBondContact O-N 2.94Å
933N36.1Very low33.5Very low154 Ų154152.7 Ų152.782%0.82482%0.822SS**THydrogen-bonded Turntrans-123.310.3-169-81.1-76.9000117.5E931E931-N933 VanDerWaalsContact C-N 3.3Å; E931-N933 PolarHBondContact O-N 3.47Å
934I36.1Very low33.3Very low162 Ų162149 Ų14983%0.83181%0.808SS**  trans-121.372.1179.5-46.9-177.1000111.8
935V31.7Very low33.1Very low143 Ų143146.1 Ų146.187%0.86780%0.804SS**  trans-124.986.7171.1-174.10000109.8
936G33.8Very low33.1Very low61 Ų61142.7 Ų142.763%0.62980%0.799SS**  trans-143.5111.617800000111.2H938G936-H938 PolarHBondContact O-N 3.43Å
937N28.4Very low32.9Very low158 Ų158142.5 Ų142.585%0.84579%0.794SS**  trans-68.5113.8-173.6-64.7-29.3000112.3
938H35.1Very low32.7Very low185 Ų185139.4 Ų139.486%0.85678%0.782SS**  trans-134.8131162-77.5-74.3000110.8G936G936-H938 PolarHBondContact O-N 3.43Å
939E31Very low32.4Very low171 Ų171140.2 Ų140.280%0.79979%0.785SS**  trans-72155.7177.6-68176.3123.700111.5L941E939-L941 VanDerWaalsContact C-N 3.33Å; E939-L941 PolarHBondContact O-N 3.1Å
940P30.3Very low31.9Very low137 Ų137139.1 Ų139.189%0.8978%0.778SS**  trans-69.986.4176.429.9-35.6000111.1
941L30.7Very low31.4Very low154 Ų154136.4 Ų136.481%0.80678%0.778SS**PPolyproline II helixtrans-76.3133.9170.9-73.7167.1000110.3E939E939-L941 VanDerWaalsContact C-N 3.33Å; E939-L941 PolarHBondContact O-N 3.1Å
942A30.3Very low31Very low94 Ų94133.8 Ų133.878%0.77777%0.769SS**PPolyproline II helixtrans-60.2145.9-175.100000113
943L31Very low30.6Very low158 Ų158132.2 Ų132.283%0.82777%0.766SS**PPolyproline II helixtrans-57.7121.8-178.7-70.4167.8000111.3
944P30Very low30.1Very low71 Ų71129 Ų12946%0.46176%0.761SS.*PPolyproline II helixtrans-65.9143.8168.128.8-33.3000109.7F899F899-P944 HydrophobicContact CE1-CG 4.09Å
945A28.6Very low29.8Very low84 Ų84127.5 Ų127.569%0.69475%0.75SS**PPolyproline II helixtrans-58.6151.217600000111.3N947A945-N947 PolarHBondContact O-N 3.23Å; A945-N947 VanDerWaalsContact O-N 3.11Å
946P32.1Very low29.7Very low123 Ų123125.5 Ų125.580%0.79974%0.735SS**PPolyproline II helixtrans-52.4122.1178.8-25.433.8000110.5P948P946-P948 WeakPolarHBondContact O-CD 3.44Å; P946-P948 VanDerWaalsContact O-N 3.09Å
947N29.4Very low29.4Very low120 Ų120128.3 Ų128.364%0.64273%0.728SS**PPolyproline II helixtrans-57.1117.6-176.8-115.1-26.2000108.8A945 L949A945-N947 PolarHBondContact O-N 3.23Å; A945-N947 VanDerWaalsContact O-N 3.11Å; N947-L949 PolarHBondContact O-N 3.34Å
948P28.6Very low29.2Very low86 Ų86132.7 Ų132.756%0.55873%0.732SS**PPolyproline II helixtrans-61.5142.4167.428.2-32.9000107.5P946 Q950P946-P948 WeakPolarHBondContact O-CD 3.44Å; P946-P948 VanDerWaalsContact O-N 3.09Å; P948-Q950 HydrophobicContact CG-CG 4.47Å; P948-Q950 PolarHBondContact O-N 3.09Å
949L28.7Very low28.8Very low178 Ų178129.3 Ų129.393%0.93272%0.719SS**  trans-64.583.2170.6-74.1166.1000108.9N947N947-L949 PolarHBondContact O-N 3.34Å
950Q28.2Very low28.6Very low153 Ų153133.2 Ų133.272%0.71574%0.737SS**  trans-59.6144171.2-66-168.77.400108.4P948 I952P948-Q950 HydrophobicContact CG-CG 4.47Å; P948-Q950 PolarHBondContact O-N 3.09Å; Q950-I952 VanDerWaalsContact C-N 3.33Å; Q950-I952 PolarHBondContact O-N 3.42Å
951A26.2Very low28.5Very low107 Ų107133 Ų13388%0.88473%0.729SS**  trans-65.486-16900000113
952I27.5Very low28.4Very low133 Ų133131.9 Ų131.968%0.68273%0.725SS**  trans-81.4133.4155.5-59.9172.2000106Q950 A954Q950-I952 VanDerWaalsContact C-N 3.33Å; Q950-I952 PolarHBondContact O-N 3.42Å; I952-A954 PolarHBondContact O-N 3.41Å
953D28.3Very low28.3Very low144 Ų144134 Ų13477%0.7772%0.722SS**  trans-5096.5-166.6-77-61.7000114.7H955D953-H955 PolarHBondContact O-N 2.99Å
954A26.6Very low28.2Very low88 Ų88132.6 Ų132.673%0.72772%0.716SS**THydrogen-bonded Turntrans-77.138.4-178.700000113.2I952I952-A954 PolarHBondContact O-N 3.41Å
955H29.2Very low28.1Very low129 Ų129136.4 Ų136.460%0.59773%0.732SS**THydrogen-bonded Turntrans-109.9-13175.6-86.4-19.3000113.8Q492 D953Q492-H955 PolarHBondContact NE2-NE2 2.92Å; D953-H955 PolarHBondContact O-N 2.99Å
956N30.3Very low28Very low102 Ų102139.9 Ų139.955%0.54574%0.735SS.*SBendtrans-101.6-7.8179.4-73.5-10.5000114.7
957Y26.4Very low27.7Very low120 Ų120141.1 Ų141.147%0.47173%0.73SS.*SBendtrans-123.4144.3170.4-74.7-106.8000108.2F825F825-Y957 WeakPolarHBondContact CD1-OH 3.4Å
958W25Very low27.6Very low249 Ų249142.8 Ų142.894%0.94374%0.737SS**  trans74.955.9179-60.580.9000119.1
959I27.6Very low27.5Very low114 Ų114147.5 Ų147.559%0.58575%0.752SS**  trans-138.9109137.6-56.1-176.5000109.7W638W638-I959 HydrophobicContact CH2-CD1 3.91Å; W638-I959 HydrophobicContact CZ2-CD1 4.4Å
960H26.4Very low27.4Very low253 Ų253144.7 Ų144.7100%1.17174%0.736SS**  trans710-172.2-65-59.3000115.9

Retrieved 960 of 960 residues in 931.6 ms (Link to these results)

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