A0A077Z174_TRITR Loading...

Leucine rich repeat containing protein 47

AlphaFold DB , UniProt , Accession A0A077Z174, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 591 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
1M36.8Very low59Low247 Ų24778.2 Ų78.2100%1.21745%0.449SS*.  0100.50-72.1177.8-178.100106.3
2N44.7Very low59.5Low113 Ų11377.1 Ų77.160%0.60446%0.456SS*.  trans-68.9141.8-167.7-74.4-15.9000111.7C4 A5 E42N2-C4 PolarHBondContact O-N 3.12Å; N2-A5 PolarHBondContact O-N 3.09Å; N2-E42 PolarHBondContact ND2-OE1 2.89Å; N2-E42 VanDerWaalsContact ND2-OE1 3.09Å
3S50.5Low60.4Low90 Ų9076.5 Ų76.563%0.62945%0.446SS*.THydrogen-bonded Turntrans-59-10.3-178.857.70000114.9T6 F7S3-T6 PolarHBondContact O-OG1 3.08Å; S3-F7 WeakPolarHBondContact O-CD2 3.29Å; S3-F7 VanDerWaalsContact O-CE2 3.26Å; S3-F7 WeakPolarHBondContact O-CE2 3.44Å
4C54.6Low61Low26 Ų2671.3 Ų71.318%0.17642%0.416CS..THydrogen-bonded Turntrans-76.9-28.8179.5-85.50000114.3N2 T6 F7 W8 P40N2-C4 PolarHBondContact O-N 3.12Å; C4-T6 PolarHBondContact O-N 3.37Å; C4-T6 VanDerWaalsContact O-N 3.17Å; C4-F7 PolarHBondContact O-N 3.14Å; C4-W8 PolarHBondContact O-N 3.43Å; C4-P40 HydrophobicContact CB-CB 4.28Å
5A53.8Low61.6Low66 Ų6674.1 Ų74.155%0.54543%0.428SS..THydrogen-bonded Turntrans-62.9-26.8-177.500000112.9N2 F7N2-A5 PolarHBondContact O-N 3.09Å; A5-F7 VanDerWaalsContact C-N 3.31Å; A5-F7 PolarHBondContact O-N 3.39Å
6T57.7Low62.1Low109 Ų10980.9 Ų80.967%0.66945%0.451SS*.THydrogen-bonded Turntrans-72-21.4174.834.20000113.9S3 C4S3-T6 PolarHBondContact O-OG1 3.08Å; C4-T6 PolarHBondContact O-N 3.37Å; C4-T6 VanDerWaalsContact O-N 3.17Å
7F65.3Low63Low83 Ų8381.8 Ų81.836%0.36445%0.451SS..THydrogen-bonded Turntrans-101.8-11.7-175.1-62.3-62.8000113.8S3 C4 A5 P9 K35 C36S3-F7 WeakPolarHBondContact O-CD2 3.29Å; S3-F7 VanDerWaalsContact O-CE2 3.26Å; S3-F7 WeakPolarHBondContact O-CE2 3.44Å; C4-F7 PolarHBondContact O-N 3.14Å; A5-F7 VanDerWaalsContact C-N 3.31Å; A5-F7 PolarHBondContact O-N 3.39Å; F7-P9 WeakPolarHBondContact O-CD 3.35Å; F7-K35 HydrophobicContact CD1-CB 4.16Å; F7-K35 HydrophobicContact CD1-CD 3.66Å; F7-K35 HydrophobicContact CD1-CG 4.45Å; F7-K35 HydrophobicContact CE1-CD 3.97Å; F7-K35 HydrophobicContact CG-CB 4.19Å; F7-K35 HydrophobicContact CG-CD 4.44Å; F7-C36 VanDerWaalsContact CB-SG 3.58Å
8W73.7Confident63.5Low0 Ų085.6 Ų85.60%046%0.464CS..  trans-121.176.1172-77.173.9000109.3C4 E10 L11 L22 V24 L29 R32 C36 L39 P40 L43 L54C4-W8 PolarHBondContact O-N 3.43Å; W8-E10 PolarHBondContact O-N 3.45Å; W8-E10 VanDerWaalsContact O-N 3.13Å; W8-L11 HydrophobicContact CB-CB 4.45Å; W8-L11 HydrophobicContact CB-CD1 3.58Å; W8-L11 HydrophobicContact CB-CG 3.74Å; W8-L11 HydrophobicContact CG-CD1 4.23Å; W8-L11 WeakPolarHBondContact O-CB 3.34Å; W8-L11 PolarHBondContact O-N 2.82Å; W8-L22 HydrophobicContact CZ3-CD2 4.06Å; W8-V24 HydrophobicContact CZ3-CG2 4.08Å; W8-L29 HydrophobicContact CH2-CD1 3.76Å; W8-L29 HydrophobicContact CZ2-CD1 4.02Å; W8-R32 HydrophobicContact CZ2-CB 3.99Å; W8-C36 VanDerWaalsContact CD1-SG 3.53Å; W8-L39 HydrophobicContact CH2-CD2 3.58Å; W8-L39 HydrophobicContact CZ2-CD2 3.66Å; W8-P40 HydrophobicContact CD2-CG 3.92Å; W8-P40 HydrophobicContact CG-CG 3.94Å; W8-L43 HydrophobicContact CZ3-CD2 4.39Å; W8-L54 HydrophobicContact CH2-CD2 4.24Å
9P70.5Confident64.2Low76 Ų7686.7 Ų86.749%0.49446%0.461SS..Hα-helixtrans-59.6-26-177.625.7-34000112.3F7 L11 A12 Q13F7-P9 WeakPolarHBondContact O-CD 3.35Å; P9-L11 VanDerWaalsContact C-N 3.26Å; P9-L11 PolarHBondContact O-N 3.02Å; P9-A12 PolarHBondContact O-N 3.27Å; P9-Q13 PolarHBondContact O-N 2.82Å; P9-Q13 VanDerWaalsContact O-N 3.15Å
10E69.8Low65.2Low39 Ų3987.4 Ų87.418%0.18246%0.461CS..Hα-helixtrans-63-31.1174.8-62.872.8-164.800111.6W8 A12 Q13 L14 L22 R32W8-E10 PolarHBondContact O-N 3.45Å; W8-E10 VanDerWaalsContact O-N 3.13Å; E10-A12 VanDerWaalsContact C-N 3.27Å; E10-A12 PolarHBondContact O-N 3.47Å; E10-Q13 CarbonylContact O-C 3.56Å; E10-Q13 PolarHBondContact O-N 2.85Å; E10-Q13 VanDerWaalsContact O-N 3.11Å; E10-L14 HydrophobicContact CB-CD1 4.45Å; E10-L14 HydrophobicContact CB-CG 4.46Å; E10-L14 WeakPolarHBondContact O-CA 3.44Å; E10-L14 WeakPolarHBondContact O-CB 3.05Å; E10-L14 WeakPolarHBondContact O-CG 3.46Å; E10-L14 PolarHBondContact O-N 3.13Å; E10-L22 HydrophobicContact CB-CD1 4.09Å; E10-L22 HydrophobicContact CG-CD1 4.42Å; E10-R32 IonicContact OE1-CZ 2.66Å; E10-R32 IonicContact OE1-NH1 3.94Å; E10-R32 PolarHBondContact OE1-NH1 3.06Å; E10-R32 IonicContact OE1-NH2 3.69Å; E10-R32 PolarHBondContact OE1-NH2 3.41Å; E10-R32 IonicContact OE2-CZ 3.44Å; E10-R32 IonicContact OE2-NH1 3.46Å; E10-R32 PolarHBondContact OE2-NH1 3.33Å; E10-R32 IonicContact OE2-NH2 2.64Å; E10-R32 PolarHBondContact OE2-NH2 3.38Å
11L71.1Confident66.3Low11 Ų1188.9 Ų88.96%0.05847%0.466CS..Hα-helixtrans-60.6-42.4177.8-69.3174.6000111W8 P9 Q13 L15 P40 E42 L43 L46W8-L11 HydrophobicContact CB-CB 4.45Å; W8-L11 HydrophobicContact CB-CD1 3.58Å; W8-L11 HydrophobicContact CB-CG 3.74Å; W8-L11 HydrophobicContact CG-CD1 4.23Å; W8-L11 WeakPolarHBondContact O-CB 3.34Å; W8-L11 PolarHBondContact O-N 2.82Å; P9-L11 VanDerWaalsContact C-N 3.26Å; P9-L11 PolarHBondContact O-N 3.02Å; L11-Q13 VanDerWaalsContact C-N 3.35Å; L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 WeakPolarHBondContact O-CD1 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 3.49Å; L11-L15 VanDerWaalsContact O-N 3.09Å; L11-P40 HydrophobicContact CD1-CB 4.25Å; L11-P40 HydrophobicContact CD1-CG 3.77Å; L11-E42 HydrophobicContact CD1-CB 4.48Å; L11-L43 HydrophobicContact CD2-CB 4.03Å; L11-L43 HydrophobicContact CD2-CD1 3.79Å; L11-L46 HydrophobicContact CD2-CD1 3.97Å
12A65.8Low68.8Low65 Ų6577.3 Ų77.354%0.53741%0.409SS..Hα-helixtrans-67.3-38.2175.800000111.5P9 E10 K16P9-A12 PolarHBondContact O-N 3.27Å; E10-A12 VanDerWaalsContact C-N 3.27Å; E10-A12 PolarHBondContact O-N 3.47Å; A12-K16 WeakPolarHBondContact O-CB 3.37Å; A12-K16 PolarHBondContact O-N 3.24Å
13Q70.4Confident71Confident69 Ų6978 Ų7832%0.32241%0.406SS..Hα-helixtrans-70.4-42.5178-168.617019.900112.6P9 E10 L11 L15 K16 E17P9-Q13 PolarHBondContact O-N 2.82Å; P9-Q13 VanDerWaalsContact O-N 3.15Å; E10-Q13 CarbonylContact O-C 3.56Å; E10-Q13 PolarHBondContact O-N 2.85Å; E10-Q13 VanDerWaalsContact O-N 3.11Å; L11-Q13 VanDerWaalsContact C-N 3.35Å; Q13-L15 VanDerWaalsContact C-N 3.33Å; Q13-L15 PolarHBondContact O-N 2.98Å; Q13-K16 PolarHBondContact O-N 2.93Å; Q13-E17 HydrophobicContact CG-CG 4.16Å; Q13-E17 VanDerWaalsContact CG-OE1 3.23Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.4Å; Q13-E17 PolarHBondContact NE2-OE1 3.37Å; Q13-E17 VanDerWaalsContact O-CB 3.29Å; Q13-E17 WeakPolarHBondContact O-CB 3.44Å; Q13-E17 PolarHBondContact O-N 3.44Å
14L69.9Low72.8Confident4 Ų473.7 Ų73.72%0.02138%0.376CS..Hα-helixtrans-60.2-45.3177.7-74.1172.7000110.2E10 E18 R19 E21 L22 L46 L49E10-L14 HydrophobicContact CB-CD1 4.45Å; E10-L14 HydrophobicContact CB-CG 4.46Å; E10-L14 WeakPolarHBondContact O-CA 3.44Å; E10-L14 WeakPolarHBondContact O-CB 3.05Å; E10-L14 WeakPolarHBondContact O-CG 3.46Å; E10-L14 PolarHBondContact O-N 3.13Å; L14-E18 WeakPolarHBondContact O-CA 3.4Å; L14-E18 PolarHBondContact O-N 2.91Å; L14-E18 VanDerWaalsContact O-N 3.1Å; L14-R19 HydrophobicContact CD2-CB 3.5Å; L14-R19 VanDerWaalsContact CD2-CB 3.5Å; L14-R19 PolarHBondContact O-N 3.41Å; L14-E21 VanDerWaalsContact CD2-O 3.31Å; L14-E21 WeakPolarHBondContact CD2-O 3.5Å; L14-L22 HydrophobicContact CD1-CB 4.25Å; L14-L22 HydrophobicContact CD1-CD1 4.02Å; L14-L46 HydrophobicContact CB-CD1 4.21Å; L14-L46 HydrophobicContact CD1-CD1 3.78Å; L14-L49 HydrophobicContact CD1-CD1 3.8Å; L14-L49 HydrophobicContact CD2-CD1 3.99Å; L14-L49 HydrophobicContact CG-CD1 4.44Å
15L68.8Low74.4Confident114 Ų11474.7 Ų74.760%0.59738%0.382SS*.Hα-helixtrans-66.6-41.1175.5-77.3167.2000112.6L11 Q13 L46L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 WeakPolarHBondContact O-CD1 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 3.49Å; L11-L15 VanDerWaalsContact O-N 3.09Å; Q13-L15 VanDerWaalsContact C-N 3.33Å; Q13-L15 PolarHBondContact O-N 2.98Å; L15-L46 HydrophobicContact CD1-CD2 4.15Å; L15-L46 HydrophobicContact CD2-CD2 3.39Å; L15-L46 HydrophobicContact CG-CD2 3.59Å
16K70.8Confident76.1Confident183 Ų18372.5 Ų72.580%0.79637%0.366SS*.Hα-helixtrans-74.6-35.2-176.6-174.3179.3178.3-174.50113.1A12 Q13A12-K16 WeakPolarHBondContact O-CB 3.37Å; A12-K16 PolarHBondContact O-N 3.24Å; Q13-K16 PolarHBondContact O-N 2.93Å
17E76.4Confident77.5Confident96 Ų9672.2 Ų72.245%0.44937%0.368SS..Hα-helixtrans-102.95.3-174.2-62.4-177.9-161.500113.1Q13 R19Q13-E17 HydrophobicContact CG-CG 4.16Å; Q13-E17 VanDerWaalsContact CG-OE1 3.23Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.4Å; Q13-E17 PolarHBondContact NE2-OE1 3.37Å; Q13-E17 VanDerWaalsContact O-CB 3.29Å; Q13-E17 WeakPolarHBondContact O-CB 3.44Å; Q13-E17 PolarHBondContact O-N 3.44Å; E17-R19 HydrophobicContact CB-CG 3.97Å; E17-R19 PolarHBondContact O-N 2.86Å; E17-R19 VanDerWaalsContact O-N 3.1Å; E17-R19 IonicContact OE1-NH2 3.91Å; E17-R19 IonicContact OE2-CZ 3.54Å; E17-R19 IonicContact OE2-NE 2.8Å; E17-R19 PolarHBondContact OE2-NE 3.33Å; E17-R19 IonicContact OE2-NH2 2.78Å; E17-R19 PolarHBondContact OE2-NH2 2.89Å
18E72.8Confident78.5Confident149 Ų14972.8 Ų72.870%0.69637%0.372SS*.THydrogen-bonded Turntrans49.635.1-176.2-63-173.2163.100113.2L14L14-E18 WeakPolarHBondContact O-CA 3.4Å; L14-E18 PolarHBondContact O-N 2.91Å; L14-E18 VanDerWaalsContact O-N 3.1Å
19R76.6Confident79.1Confident108 Ų10872.8 Ų72.841%0.40837%0.372SS..  trans-66.9142.8-179.5-73.9-180-177.9-167.22.9110.2L14 E17 S48L14-R19 HydrophobicContact CD2-CB 3.5Å; L14-R19 VanDerWaalsContact CD2-CB 3.5Å; L14-R19 PolarHBondContact O-N 3.41Å; E17-R19 HydrophobicContact CB-CG 3.97Å; E17-R19 PolarHBondContact O-N 2.86Å; E17-R19 VanDerWaalsContact O-N 3.1Å; E17-R19 IonicContact OE1-NH2 3.91Å; E17-R19 IonicContact OE2-CZ 3.54Å; E17-R19 IonicContact OE2-NE 2.8Å; E17-R19 PolarHBondContact OE2-NE 3.33Å; E17-R19 IonicContact OE2-NH2 2.78Å; E17-R19 PolarHBondContact OE2-NH2 2.89Å; R19-S48 PolarHBondContact O-OG 2.91Å; R19-S48 VanDerWaalsContact O-OG 3.1Å
20H84.5Confident79.9Confident99 Ų9971 Ų7146%0.45836%0.358SS..  trans-97.5-8.4-179.8-58.1-69.4000113.2S48 L49 N50 F51H20-S48 WeakPolarHBondContact CA-O 3.2Å; H20-S48 WeakPolarHBondContact CB-O 3.45Å; H20-S48 PolarHBondContact ND1-O 3.25Å; H20-L49 CarbonylContact O-C 3.59Å; H20-L49 WeakPolarHBondContact O-CA 3.35Å; H20-N50 PolarHBondContact O-N 3.13Å; H20-N50 PolarHBondContact O-OD1 3.32Å; H20-F51 PolarHBondContact O-N 3.34Å; H20-F51 VanDerWaalsContact O-N 3.14Å
21E88.8Confident80.6Confident119 Ų11971.4 Ų71.456%0.55637%0.365SS*.EExtended strand (participates in β ladder)trans-125.7130.5-170.9-50.1-177.517000110.7L14 F51L14-E21 VanDerWaalsContact CD2-O 3.31Å; L14-E21 WeakPolarHBondContact CD2-O 3.5Å; E21-F51 WeakPolarHBondContact CA-O 3.14Å; E21-F51 HydrophobicContact CB-CB 4.09Å; E21-F51 HydrophobicContact CB-CD1 4.21Å; E21-F51 HydrophobicContact CB-CG 4.48Å; E21-F51 HydrophobicContact CG-CB 3.91Å; E21-F51 HydrophobicContact CG-CG 4.46Å
22L88.8Confident81.2Confident4 Ų471.4 Ų71.42%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-114.8125.1166.6175.369000109.1W8 E10 L14 V24 L43 L49 F51 V52 E53 L54W8-L22 HydrophobicContact CZ3-CD2 4.06Å; E10-L22 HydrophobicContact CB-CD1 4.09Å; E10-L22 HydrophobicContact CG-CD1 4.42Å; L14-L22 HydrophobicContact CD1-CB 4.25Å; L14-L22 HydrophobicContact CD1-CD1 4.02Å; L22-V24 HydrophobicContact CD1-CG2 3.55Å; L22-V24 HydrophobicContact CD2-CG2 4.49Å; L22-V24 HydrophobicContact CG-CG2 4.03Å; L22-L43 HydrophobicContact CD2-CD1 3.37Å; L22-L43 HydrophobicContact CD2-CD2 3.68Å; L22-L43 HydrophobicContact CD2-CG 4.16Å; L22-L49 HydrophobicContact CB-CD1 4.1Å; L22-L49 HydrophobicContact CB-CD2 4.06Å; L22-F51 PolarHBondContact N-O 2.89Å; L22-V52 CarbonylContact O-C 3.48Å; L22-V52 WeakPolarHBondContact O-CA 3.34Å; L22-E53 PolarHBondContact O-N 3.29Å; L22-L54 HydrophobicContact CD2-CD2 4.28Å
23K90.9Very high82.1Confident127 Ų12769.3 Ų69.355%0.55234%0.344SS*.EExtended strand (participates in β ladder)trans-129.5118.4171.1178.8174.8-178.5128.40109.9T25 E53K23-T25 HydrophobicContact CG-CG2 4.31Å; K23-E53 WeakPolarHBondContact CA-O 3.49Å; K23-E53 HydrophobicContact CB-CB 4.32Å; K23-E53 VanDerWaalsContact CD-OE2 3.27Å; K23-E53 WeakPolarHBondContact CD-OE2 3.27Å; K23-E53 VanDerWaalsContact CE-OE2 3.25Å; K23-E53 WeakPolarHBondContact CE-OE2 3.42Å; K23-E53 HydrophobicContact CG-CB 4.12Å; K23-E53 HydrophobicContact CG-CG 4.22Å; K23-E53 IonicContact NZ-OE1 2.7Å; K23-E53 PolarHBondContact NZ-OE1 3.39Å; K23-E53 IonicContact NZ-OE2 3.21Å; K23-E53 PolarHBondContact NZ-OE2 3.45Å
24V87.8Confident82.7Confident1 Ų173.8 Ų73.81%0.00637%0.365CS..EExtended strand (participates in β ladder)trans-139.8123.5176-1670000108.1W8 L22 E28 L29 R32 E53 L54 S55W8-V24 HydrophobicContact CZ3-CG2 4.08Å; L22-V24 HydrophobicContact CD1-CG2 3.55Å; L22-V24 HydrophobicContact CD2-CG2 4.49Å; L22-V24 HydrophobicContact CG-CG2 4.03Å; V24-E28 HydrophobicContact CG1-CG 3.97Å; V24-L29 HydrophobicContact CB-CD1 4.44Å; V24-L29 HydrophobicContact CG1-CB 3.86Å; V24-L29 HydrophobicContact CG1-CD1 4.18Å; V24-R32 VanDerWaalsContact CG1-CZ 3.43Å; V24-R32 VanDerWaalsContact CG1-NH1 3.33Å; V24-E53 PolarHBondContact N-O 2.97Å; V24-L54 HydrophobicContact CB-CD2 4.06Å; V24-L54 HydrophobicContact CG2-CD2 4.34Å; V24-L54 WeakPolarHBondContact O-CA 3.2Å; V24-S55 PolarHBondContact O-N 3.43Å
25T89.1Confident83.2Confident47 Ų4780 Ų8029%0.28839%0.392SS..EExtended strand (participates in β ladder)trans-137.7158.4-172.661.40000112.7K23 E53 S55K23-T25 HydrophobicContact CG-CG2 4.31Å; T25-E53 HydrophobicContact CG2-CG 4.23Å; T25-S55 CarbonylContact C-O 3.4Å; T25-S55 WeakPolarHBondContact CA-O 3.33Å; T25-S55 WeakPolarHBondContact CB-O 3.37Å
26G89Confident83.4Confident20 Ų2075.9 Ų75.921%0.20637%0.372CS..THydrogen-bonded Turntrans72.1-146.1168.300000114.1E28 L29 N30 S55 H56G26-E28 PolarHBondContact O-N 3.31Å; G26-L29 PolarHBondContact O-N 2.94Å; G26-N30 PolarHBondContact O-N 3.01Å; G26-S55 PolarHBondContact N-O 3.23Å; G26-H56 WeakPolarHBondContact CA-O 3.31Å; G26-H56 PolarHBondContact N-O 2.88Å
27S86.6Confident83.7Confident102 Ų10270.9 Ų70.971%0.71337%0.373SS*.Hα-helixtrans-60.7-28179.653.40000113.3N30 S31S27-N30 PolarHBondContact O-N 3.38Å; S27-S31 WeakPolarHBondContact O-CB 3.12Å; S27-S31 PolarHBondContact O-N 2.87Å
28E86.1Confident84Confident96 Ų9667.5 Ų67.545%0.44936%0.364SS..Hα-helixtrans-64.3-47177.8178.8165.6-143.700111.2V24 G26 S31 R32V24-E28 HydrophobicContact CG1-CG 3.97Å; G26-E28 PolarHBondContact O-N 3.31Å; E28-S31 PolarHBondContact O-N 3.48Å; E28-S31 PolarHBondContact O-OG 2.94Å; E28-R32 VanDerWaalsContact O-CG 3.31Å; E28-R32 WeakPolarHBondContact O-CG 3.49Å; E28-R32 PolarHBondContact O-N 3.19Å; E28-R32 IonicContact OE1-CZ 3.64Å; E28-R32 IonicContact OE1-NH2 2.71Å; E28-R32 PolarHBondContact OE1-NH2 3.03Å; E28-R32 IonicContact OE2-NH2 2.73Å
29L86.6Confident84.6Confident0 Ų061.3 Ų61.30%034%0.335CS..Hα-helixtrans-63.1-43.1174.9-17651.5000111W8 V24 G26 S31 R32 L33 L39 L54 S57W8-L29 HydrophobicContact CH2-CD1 3.76Å; W8-L29 HydrophobicContact CZ2-CD1 4.02Å; V24-L29 HydrophobicContact CB-CD1 4.44Å; V24-L29 HydrophobicContact CG1-CB 3.86Å; V24-L29 HydrophobicContact CG1-CD1 4.18Å; G26-L29 PolarHBondContact O-N 2.94Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 2.93Å; L29-R32 WeakPolarHBondContact O-CB 3.35Å; L29-R32 PolarHBondContact O-N 3.39Å; L29-R32 VanDerWaalsContact O-N 3.11Å; L29-L33 HydrophobicContact CD1-CD1 4.21Å; L29-L33 HydrophobicContact CD1-CD2 4.37Å; L29-L33 HydrophobicContact CD1-CG 4.01Å; L29-L33 HydrophobicContact CG-CD1 3.93Å; L29-L33 HydrophobicContact CG-CG 4.23Å; L29-L33 VanDerWaalsContact O-CG 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.35Å; L29-L39 HydrophobicContact CD1-CD2 4.36Å; L29-L54 HydrophobicContact CD1-CD2 4.08Å; L29-L54 HydrophobicContact CD2-CB 3.74Å; L29-L54 HydrophobicContact CD2-CD2 4.05Å; L29-L54 HydrophobicContact CD2-CG 4.47Å; L29-S57 WeakPolarHBondContact CD2-OG 3.26Å
30N86.6Confident84.9Confident39 Ų3956.4 Ų56.421%0.20932%0.317CS..Hα-helixtrans-56.3-47.2176.4-71.5-12.3000112.3G26 S27 R32 L33 E34 S57 S58G26-N30 PolarHBondContact O-N 3.01Å; S27-N30 PolarHBondContact O-N 3.38Å; N30-R32 PolarHBondContact O-N 3.13Å; N30-L33 PolarHBondContact O-N 3.19Å; N30-E34 WeakPolarHBondContact O-CG 3.47Å; N30-E34 PolarHBondContact O-N 3.09Å; N30-S57 WeakPolarHBondContact OD1-CA 3.13Å; N30-S57 VanDerWaalsContact OD1-CB 3.24Å; N30-S57 WeakPolarHBondContact OD1-CB 3.38Å; N30-S58 PolarHBondContact OD1-N 3.02Å
31S85.2Confident84.9Confident46 Ų4654.4 Ų54.432%0.32231%0.312SS..Hα-helixtrans-61.8-30.4-179.976.80000113S27 E28 L29 K35S27-S31 WeakPolarHBondContact O-CB 3.12Å; S27-S31 PolarHBondContact O-N 2.87Å; E28-S31 PolarHBondContact O-N 3.48Å; E28-S31 PolarHBondContact O-OG 2.94Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 2.93Å; S31-K35 WeakPolarHBondContact O-CD 3.4Å; S31-K35 VanDerWaalsContact O-CG 3.24Å; S31-K35 WeakPolarHBondContact O-CG 3.3Å; S31-K35 PolarHBondContact O-N 3.01Å
32R82.7Confident84.5Confident12 Ų1252.3 Ų52.35%0.04530%0.302CS..Hα-helixtrans-78.6-43177.5-64.8165.5-166.9-148.4-4.2111.4W8 E10 V24 E28 L29 N30 K35 C36W8-R32 HydrophobicContact CZ2-CB 3.99Å; E10-R32 IonicContact OE1-CZ 2.66Å; E10-R32 IonicContact OE1-NH1 3.94Å; E10-R32 PolarHBondContact OE1-NH1 3.06Å; E10-R32 IonicContact OE1-NH2 3.69Å; E10-R32 PolarHBondContact OE1-NH2 3.41Å; E10-R32 IonicContact OE2-CZ 3.44Å; E10-R32 IonicContact OE2-NH1 3.46Å; E10-R32 PolarHBondContact OE2-NH1 3.33Å; E10-R32 IonicContact OE2-NH2 2.64Å; E10-R32 PolarHBondContact OE2-NH2 3.38Å; V24-R32 VanDerWaalsContact CG1-CZ 3.43Å; V24-R32 VanDerWaalsContact CG1-NH1 3.33Å; E28-R32 VanDerWaalsContact O-CG 3.31Å; E28-R32 WeakPolarHBondContact O-CG 3.49Å; E28-R32 PolarHBondContact O-N 3.19Å; E28-R32 IonicContact OE1-CZ 3.64Å; E28-R32 IonicContact OE1-NH2 2.71Å; E28-R32 PolarHBondContact OE1-NH2 3.03Å; E28-R32 IonicContact OE2-NH2 2.73Å; L29-R32 WeakPolarHBondContact O-CB 3.35Å; L29-R32 PolarHBondContact O-N 3.39Å; L29-R32 VanDerWaalsContact O-N 3.11Å; N30-R32 PolarHBondContact O-N 3.13Å; R32-K35 PolarHBondContact O-N 3.42Å; R32-C36 WeakPolarHBondContact O-CB 3.44Å; R32-C36 PolarHBondContact O-N 3.5Å
33L85.1Confident84.3Confident21 Ų2152.2 Ų52.211%0.1130%0.301CS..Hα-helixtrans-62.2-43.3177.1-68.1174.6000111.3L29 N30 K35 G37 G38 L39 L59L29-L33 HydrophobicContact CD1-CD1 4.21Å; L29-L33 HydrophobicContact CD1-CD2 4.37Å; L29-L33 HydrophobicContact CD1-CG 4.01Å; L29-L33 HydrophobicContact CG-CD1 3.93Å; L29-L33 HydrophobicContact CG-CG 4.23Å; L29-L33 VanDerWaalsContact O-CG 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.35Å; N30-L33 PolarHBondContact O-N 3.19Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 3.37Å; L33-G37 WeakPolarHBondContact O-CA 3.22Å; L33-G37 PolarHBondContact O-N 3.35Å; L33-G38 PolarHBondContact O-N 2.86Å; L33-L39 HydrophobicContact CD2-CD2 3.83Å; L33-L39 HydrophobicContact CD2-CG 4.06Å; L33-L59 HydrophobicContact CD1-CB 3.97Å; L33-L59 HydrophobicContact CD1-CD1 3.9Å; L33-L59 HydrophobicContact CD2-CD1 3.8Å
34E83.6Confident84Confident163 Ų16346.4 Ų46.476%0.76228%0.276SS*.Hα-helixtrans-62-38.6176.7-75.2177.4-175.900112.5N30N30-E34 WeakPolarHBondContact O-CG 3.47Å; N30-E34 PolarHBondContact O-N 3.09Å
35K79.8Confident83.7Confident134 Ų13452.6 Ų52.658%0.58330%0.303SS*.Hα-helixtrans-78.5-37.2-179.1-72175.8-175.1175.70113.3F7 S31 R32 L33F7-K35 HydrophobicContact CD1-CB 4.16Å; F7-K35 HydrophobicContact CD1-CD 3.66Å; F7-K35 HydrophobicContact CD1-CG 4.45Å; F7-K35 HydrophobicContact CE1-CD 3.97Å; F7-K35 HydrophobicContact CG-CB 4.19Å; F7-K35 HydrophobicContact CG-CD 4.44Å; S31-K35 WeakPolarHBondContact O-CD 3.4Å; S31-K35 VanDerWaalsContact O-CG 3.24Å; S31-K35 WeakPolarHBondContact O-CG 3.3Å; S31-K35 PolarHBondContact O-N 3.01Å; R32-K35 PolarHBondContact O-N 3.42Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 3.37Å
36C74.2Confident83.3Confident28 Ų2851 Ų5119%0.18929%0.293CS..Hα-helixtrans-92-10.3-177.6-70.20000113.7F7 W8 R32 G38F7-C36 VanDerWaalsContact CB-SG 3.58Å; W8-C36 VanDerWaalsContact CD1-SG 3.53Å; R32-C36 WeakPolarHBondContact O-CB 3.44Å; R32-C36 PolarHBondContact O-N 3.5Å; C36-G38 WeakPolarHBondContact CB-O 3.49Å; C36-G38 PolarHBondContact O-N 2.71Å
37G76.6Confident82.7Confident78 Ų7854.5 Ų54.580%0.80431%0.312SS*.THydrogen-bonded Turntrans69.912.7-172.500000113.9L33L33-G37 WeakPolarHBondContact O-CA 3.22Å; L33-G37 PolarHBondContact O-N 3.35Å
38G82.4Confident82.4Confident25 Ų2551.1 Ų51.126%0.25829%0.288SS..SBendtrans151.4-169.5-174.600000113.1L33 C36L33-G38 PolarHBondContact O-N 2.86Å; C36-G38 WeakPolarHBondContact CB-O 3.49Å; C36-G38 PolarHBondContact O-N 2.71Å
39L86Confident82.4Confident18 Ų1846.6 Ų46.69%0.09427%0.267CS..  trans-78.7133.2172.3-65.4173.3000109.7W8 L29 L33 F44 L54 L59 M62 P63W8-L39 HydrophobicContact CH2-CD2 3.58Å; W8-L39 HydrophobicContact CZ2-CD2 3.66Å; L29-L39 HydrophobicContact CD1-CD2 4.36Å; L33-L39 HydrophobicContact CD2-CD2 3.83Å; L33-L39 HydrophobicContact CD2-CG 4.06Å; L39-F44 HydrophobicContact CB-CE2 4.06Å; L39-F44 HydrophobicContact CB-CZ 3.84Å; L39-F44 HydrophobicContact CD1-CZ 3.93Å; L39-L54 HydrophobicContact CD1-CD1 3.69Å; L39-L54 HydrophobicContact CD2-CD1 3.83Å; L39-L54 HydrophobicContact CG-CD1 4.45Å; L39-L59 HydrophobicContact CD1-CD1 4.11Å; L39-L59 HydrophobicContact CD1-CD2 4.1Å; L39-L59 HydrophobicContact CG-CD1 4.07Å; L39-M62 HydrophobicContact CD1-CE 4.03Å; L39-M62 HydrophobicContact CD1-SD 3.74Å; L39-P63 HydrophobicContact CB-CG 4.43Å
40P83.1Confident82.6Confident6 Ų649.2 Ų49.24%0.03928%0.281CS..  trans-69.7134.5-179.427.2-32.2000110.8C4 W8 L11 E42 L43C4-P40 HydrophobicContact CB-CB 4.28Å; W8-P40 HydrophobicContact CD2-CG 3.92Å; W8-P40 HydrophobicContact CG-CG 3.94Å; L11-P40 HydrophobicContact CD1-CB 4.25Å; L11-P40 HydrophobicContact CD1-CG 3.77Å; P40-E42 PolarHBondContact O-N 3.22Å; P40-E42 VanDerWaalsContact O-N 3.14Å; P40-L43 HydrophobicContact CG-CB 4.29Å; P40-L43 VanDerWaalsContact O-CB 3.24Å; P40-L43 WeakPolarHBondContact O-CB 3.44Å; P40-L43 PolarHBondContact O-N 2.67Å
41V82.8Confident82.9Confident57 Ų5749.5 Ų49.535%0.34528%0.28SS..Hα-helixtrans-58-30.9179.4177.90000111.2L43 F44V41-L43 PolarHBondContact O-N 3.35Å; V41-F44 PolarHBondContact O-N 3.1Å; V41-F44 VanDerWaalsContact O-N 3.16Å
42E82Confident83.3Confident75 Ų7547.4 Ų47.435%0.3527%0.266SS..Hα-helixtrans-59.9-24.3176.9-63.585.3172.200113.4N2 L11 P40 F44 K45N2-E42 PolarHBondContact ND2-OE1 2.89Å; N2-E42 VanDerWaalsContact ND2-OE1 3.09Å; L11-E42 HydrophobicContact CD1-CB 4.48Å; P40-E42 PolarHBondContact O-N 3.22Å; P40-E42 VanDerWaalsContact O-N 3.14Å; E42-F44 VanDerWaalsContact C-N 3.35Å; E42-K45 PolarHBondContact O-N 2.89Å
43L84.6Confident83.8Confident1 Ų148.3 Ų48.31%0.00527%0.27CS..Hα-helixtrans-64.3-40.1176.2177.958.6000112W8 L11 L22 P40 V41 K45 L46W8-L43 HydrophobicContact CZ3-CD2 4.39Å; L11-L43 HydrophobicContact CD2-CB 4.03Å; L11-L43 HydrophobicContact CD2-CD1 3.79Å; L22-L43 HydrophobicContact CD2-CD1 3.37Å; L22-L43 HydrophobicContact CD2-CD2 3.68Å; L22-L43 HydrophobicContact CD2-CG 4.16Å; P40-L43 HydrophobicContact CG-CB 4.29Å; P40-L43 VanDerWaalsContact O-CB 3.24Å; P40-L43 WeakPolarHBondContact O-CB 3.44Å; P40-L43 PolarHBondContact O-N 2.67Å; V41-L43 PolarHBondContact O-N 3.35Å; L43-K45 PolarHBondContact O-N 2.97Å; L43-L46 HydrophobicContact CD1-CD1 4.09Å; L43-L46 WeakPolarHBondContact O-CG 3.32Å
44F83.7Confident84.2Confident5 Ų547.3 Ų47.32%0.02227%0.266CS..Hα-helixtrans-78.9-10.8-174.2-51.6-72.7000113.1L39 V41 E42 M62 P63 D65 I66 M69L39-F44 HydrophobicContact CB-CE2 4.06Å; L39-F44 HydrophobicContact CB-CZ 3.84Å; L39-F44 HydrophobicContact CD1-CZ 3.93Å; V41-F44 PolarHBondContact O-N 3.1Å; V41-F44 VanDerWaalsContact O-N 3.16Å; E42-F44 VanDerWaalsContact C-N 3.35Å; F44-M62 HydrophobicContact CE1-SD 4.3Å; F44-M62 HydrophobicContact CZ-SD 4.4Å; F44-P63 HydrophobicContact CD2-CG 4.3Å; F44-P63 HydrophobicContact CE1-CG 4.19Å; F44-P63 HydrophobicContact CE2-CB 4.38Å; F44-P63 HydrophobicContact CE2-CG 3.31Å; F44-P63 HydrophobicContact CZ-CG 3.24Å; F44-D65 HydrophobicContact CB-CB 3.9Å; F44-D65 WeakPolarHBondContact CB-O 3.47Å; F44-D65 HydrophobicContact CD2-CB 3.57Å; F44-D65 HydrophobicContact CE2-CB 4.33Å; F44-D65 HydrophobicContact CG-CB 3.81Å; F44-I66 HydrophobicContact CD1-CB 4.19Å; F44-I66 HydrophobicContact CD1-CD1 3.82Å; F44-I66 HydrophobicContact CE1-CB 4.17Å; F44-I66 HydrophobicContact CE1-CD1 3.69Å; F44-M69 HydrophobicContact CB-CG 4.15Å; F44-M69 HydrophobicContact CB-SD 4.49Å; F44-M69 HydrophobicContact CD1-CG 4.31Å; F44-M69 HydrophobicContact CD1-SD 3.72Å; F44-M69 WeakPolarHBondContact O-CG 3.24Å
45K81.9Confident84.6Confident132 Ų13239.6 Ų39.657%0.57423%0.23SC*.THydrogen-bonded Turntrans-92.81.2178.3-65.1-175177.7-179.20113.9E42 L43 P47E42-K45 PolarHBondContact O-N 2.89Å; L43-K45 PolarHBondContact O-N 2.97Å; K45-P47 WeakPolarHBondContact O-CD 3.38Å
46L81.7Confident85.1Confident13 Ų1338.3 Ų38.37%0.06823%0.225CC..  trans-76.2114.3-178.7-64.1-178.9000110.6L11 L14 L15 L43 S48 L49L11-L46 HydrophobicContact CD2-CD1 3.97Å; L14-L46 HydrophobicContact CB-CD1 4.21Å; L14-L46 HydrophobicContact CD1-CD1 3.78Å; L15-L46 HydrophobicContact CD1-CD2 4.15Å; L15-L46 HydrophobicContact CD2-CD2 3.39Å; L15-L46 HydrophobicContact CG-CD2 3.59Å; L43-L46 HydrophobicContact CD1-CD1 4.09Å; L43-L46 WeakPolarHBondContact O-CG 3.32Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 3.49Å; L46-L49 HydrophobicContact CB-CB 4.27Å; L46-L49 HydrophobicContact CD1-CD1 4.12Å
47P76.2Confident85.8Confident94 Ų9437.3 Ų37.361%0.6122%0.219SC*.THydrogen-bonded Turntrans-73.2-22.9-172.129.4-35.5000113.3K45 H71K45-P47 WeakPolarHBondContact O-CD 3.38Å; P47-H71 PolarHBondContact O-CD2 3.14Å
48S79.5Confident86.4Confident31 Ų3137.3 Ų37.322%0.21721%0.206CC..THydrogen-bonded Turntrans-85.1-14.3-175.756.60000113.5R19 H20 L46 N50R19-S48 PolarHBondContact O-OG 2.91Å; R19-S48 VanDerWaalsContact O-OG 3.1Å; H20-S48 WeakPolarHBondContact CA-O 3.2Å; H20-S48 WeakPolarHBondContact CB-O 3.45Å; H20-S48 PolarHBondContact ND1-O 3.25Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 3.49Å; S48-N50 PolarHBondContact O-N 2.94Å
49L85.8Confident86.8Confident1 Ų136.4 Ų36.41%0.00520%0.195CC..  trans-80.1117.6-164.9-144.2106000111.6L14 H20 L22 L46 V52 M69L14-L49 HydrophobicContact CD1-CD1 3.8Å; L14-L49 HydrophobicContact CD2-CD1 3.99Å; L14-L49 HydrophobicContact CG-CD1 4.44Å; H20-L49 CarbonylContact O-C 3.59Å; H20-L49 WeakPolarHBondContact O-CA 3.35Å; L22-L49 HydrophobicContact CB-CD1 4.1Å; L22-L49 HydrophobicContact CB-CD2 4.06Å; L46-L49 HydrophobicContact CB-CB 4.27Å; L46-L49 HydrophobicContact CD1-CD1 4.12Å; L49-V52 HydrophobicContact CD2-CB 4.48Å; L49-V52 HydrophobicContact CD2-CG2 3.17Å; L49-M69 HydrophobicContact CB-CE 3.89Å; L49-M69 HydrophobicContact CD2-CE 3.5Å; L49-M69 VanDerWaalsContact CD2-CE 3.5Å; L49-M69 HydrophobicContact CG-CE 4.34Å
50N91.1Very high87Confident54 Ų5438.1 Ų38.129%0.28921%0.209SC..  trans-112.2-17.9179.668.611.5000113.2H20 S48 T73 N74H20-N50 PolarHBondContact O-N 3.13Å; H20-N50 PolarHBondContact O-OD1 3.32Å; S48-N50 PolarHBondContact O-N 2.94Å; N50-T73 HydrophobicContact CB-CG2 4.48Å; N50-T73 PolarHBondContact O-N 3.15Å; N50-T73 PolarHBondContact O-OG1 3.1Å; N50-T73 VanDerWaalsContact O-OG1 3.07Å; N50-N74 PolarHBondContact O-N 2.96Å
51F92.7Very high87.3Confident45 Ų4543.3 Ų43.320%0.19723%0.233CC..EExtended strand (participates in β ladder)trans-129.5124.1-179.8-177.2-80.1000110.5H20 E21 L22 E53 N74 V76H20-F51 PolarHBondContact O-N 3.34Å; H20-F51 VanDerWaalsContact O-N 3.14Å; E21-F51 WeakPolarHBondContact CA-O 3.14Å; E21-F51 HydrophobicContact CB-CB 4.09Å; E21-F51 HydrophobicContact CB-CD1 4.21Å; E21-F51 HydrophobicContact CB-CG 4.48Å; E21-F51 HydrophobicContact CG-CB 3.91Å; E21-F51 HydrophobicContact CG-CG 4.46Å; L22-F51 PolarHBondContact N-O 2.89Å; F51-E53 HydrophobicContact CD1-CB 4.48Å; F51-E53 HydrophobicContact CE1-CB 3.55Å; F51-E53 HydrophobicContact CZ-CB 4.06Å; F51-N74 WeakPolarHBondContact CA-O 3.41Å; F51-N74 HydrophobicContact CB-CB 4.4Å; F51-N74 HydrophobicContact CD2-CB 3.44Å; F51-N74 VanDerWaalsContact CD2-CB 3.44Å; F51-N74 HydrophobicContact CE2-CB 4.03Å; F51-N74 HydrophobicContact CG-CB 4.19Å; F51-V76 HydrophobicContact CZ-CG2 4.38Å
52V93.2Very high87.8Confident3 Ų341.4 Ų41.42%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-124.3120.9173.3176.60000108.9L22 L49 L54 M69 L72 N74 L75 V76L22-V52 CarbonylContact O-C 3.48Å; L22-V52 WeakPolarHBondContact O-CA 3.34Å; L49-V52 HydrophobicContact CD2-CB 4.48Å; L49-V52 HydrophobicContact CD2-CG2 3.17Å; V52-L54 HydrophobicContact CG1-CD1 3.87Å; V52-L54 HydrophobicContact CG1-CG 3.73Å; V52-M69 HydrophobicContact CG2-CE 3.82Å; V52-M69 HydrophobicContact CG2-SD 4.45Å; V52-L72 HydrophobicContact CB-CD1 4.09Å; V52-L72 HydrophobicContact CG2-CD1 3.51Å; V52-N74 PolarHBondContact N-O 3.02Å; V52-L75 HydrophobicContact CB-CD1 3.91Å; V52-L75 HydrophobicContact CG1-CD1 3.93Å; V52-V76 PolarHBondContact O-N 3.41Å
53E94.2Very high88.2Confident30 Ų3039.5 Ų39.514%0.1421%0.214CC..EExtended strand (participates in β ladder)trans-120.6112.7167.2-179.2178.3173.900110.1L22 K23 V24 T25 F51 S55 V76L22-E53 PolarHBondContact O-N 3.29Å; K23-E53 WeakPolarHBondContact CA-O 3.49Å; K23-E53 HydrophobicContact CB-CB 4.32Å; K23-E53 VanDerWaalsContact CD-OE2 3.27Å; K23-E53 WeakPolarHBondContact CD-OE2 3.27Å; K23-E53 VanDerWaalsContact CE-OE2 3.25Å; K23-E53 WeakPolarHBondContact CE-OE2 3.42Å; K23-E53 HydrophobicContact CG-CB 4.12Å; K23-E53 HydrophobicContact CG-CG 4.22Å; K23-E53 IonicContact NZ-OE1 2.7Å; K23-E53 PolarHBondContact NZ-OE1 3.39Å; K23-E53 IonicContact NZ-OE2 3.21Å; K23-E53 PolarHBondContact NZ-OE2 3.45Å; V24-E53 PolarHBondContact N-O 2.97Å; T25-E53 HydrophobicContact CG2-CG 4.23Å; F51-E53 HydrophobicContact CD1-CB 4.48Å; F51-E53 HydrophobicContact CE1-CB 3.55Å; F51-E53 HydrophobicContact CZ-CB 4.06Å; E53-S55 WeakPolarHBondContact CG-OG 3.34Å; E53-V76 CarbonylContact C-O 3.59Å; E53-V76 WeakPolarHBondContact CA-O 3.45Å; E53-V76 HydrophobicContact CB-CB 4.06Å; E53-V76 HydrophobicContact CG-CB 3.97Å; E53-V76 HydrophobicContact CG-CG1 4.03Å
54L92.9Very high88.6Confident1 Ų144 Ų441%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-125.583.6175.9-61.3175.1000107.3W8 L22 V24 L29 L39 V52 V76 L77 N80W8-L54 HydrophobicContact CH2-CD2 4.24Å; L22-L54 HydrophobicContact CD2-CD2 4.28Å; V24-L54 HydrophobicContact CB-CD2 4.06Å; V24-L54 HydrophobicContact CG2-CD2 4.34Å; V24-L54 WeakPolarHBondContact O-CA 3.2Å; L29-L54 HydrophobicContact CD1-CD2 4.08Å; L29-L54 HydrophobicContact CD2-CB 3.74Å; L29-L54 HydrophobicContact CD2-CD2 4.05Å; L29-L54 HydrophobicContact CD2-CG 4.47Å; L39-L54 HydrophobicContact CD1-CD1 3.69Å; L39-L54 HydrophobicContact CD2-CD1 3.83Å; L39-L54 HydrophobicContact CG-CD1 4.45Å; V52-L54 HydrophobicContact CG1-CD1 3.87Å; V52-L54 HydrophobicContact CG1-CG 3.73Å; L54-V76 PolarHBondContact N-O 3.27Å; L54-L77 HydrophobicContact CB-CD2 3.93Å; L54-L77 HydrophobicContact CD1-CD2 4.39Å; L54-L77 WeakPolarHBondContact O-CA 3.03Å; L54-N80 PolarHBondContact O-ND2 2.86Å
55S92.2Very high88.9Confident1 Ų146.1 Ų46.11%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-123.2159.6-167-61.90000113.3V24 T25 G26 E53 S57 R78V24-S55 PolarHBondContact O-N 3.43Å; T25-S55 CarbonylContact C-O 3.4Å; T25-S55 WeakPolarHBondContact CA-O 3.33Å; T25-S55 WeakPolarHBondContact CB-O 3.37Å; G26-S55 PolarHBondContact N-O 3.23Å; E53-S55 WeakPolarHBondContact CG-OG 3.34Å; S55-S57 PolarHBondContact O-N 2.93Å; S55-R78 CarbonylContact C-O 3.25Å; S55-R78 WeakPolarHBondContact CA-O 3.33Å; S55-R78 WeakPolarHBondContact CB-O 3.4Å; S55-R78 PolarHBondContact OG-N 3.43Å
56H89.9Confident89.4Confident106 Ų10639.9 Ų39.949%0.49122%0.22SC..SBendtrans58.740.2174.1-58.1-68000113.9G26 R78 G79G26-H56 WeakPolarHBondContact CA-O 3.31Å; G26-H56 PolarHBondContact N-O 2.88Å; H56-R78 PolarHBondContact N-O 3.02Å; H56-G79 CarbonylContact C-O 3.5Å; H56-G79 WeakPolarHBondContact CA-O 3.23Å; H56-G79 PolarHBondContact N-O 3.05Å
57S89.8Confident89.7Confident8 Ų840 Ų406%0.05622%0.224CC..SBendtrans-130.6-179.1-175.385.10000112.4L29 N30 S55 L59 G79 N80L29-S57 WeakPolarHBondContact CD2-OG 3.26Å; N30-S57 WeakPolarHBondContact OD1-CA 3.13Å; N30-S57 VanDerWaalsContact OD1-CB 3.24Å; N30-S57 WeakPolarHBondContact OD1-CB 3.38Å; S55-S57 PolarHBondContact O-N 2.93Å; S57-L59 VanDerWaalsContact C-N 3.29Å; S57-L59 PolarHBondContact O-N 3.31Å; S57-L59 PolarHBondContact OG-N 3.06Å; S57-G79 PolarHBondContact N-O 3.08Å; S57-N80 WeakPolarHBondContact CA-OD1 3.16Å; S57-N80 WeakPolarHBondContact CB-OD1 3.08Å; S57-N80 PolarHBondContact N-OD1 3.08Å; S57-N80 VanDerWaalsContact O-CA 3.28Å; S57-N80 WeakPolarHBondContact O-CA 3.11Å; S57-N80 PolarHBondContact O-OD1 3.39Å; S57-N80 PolarHBondContact OG-OD1 2.99Å
58S88.9Confident90.3Very high77 Ų7740.7 Ų40.754%0.53822%0.219SC..  trans-92.822.9177.9-55.80000112.5N30 S60N30-S58 PolarHBondContact OD1-N 3.02Å; S58-S60 PolarHBondContact O-N 2.98Å; S58-S60 VanDerWaalsContact O-N 3.09Å
59L90.1Very high90.8Very high6 Ų639.5 Ų39.53%0.03121%0.21CC..  trans-60.6114.3178.3-174.568.5000110L33 L39 S57 H61 M62 N80 S81 L82L33-L59 HydrophobicContact CD1-CB 3.97Å; L33-L59 HydrophobicContact CD1-CD1 3.9Å; L33-L59 HydrophobicContact CD2-CD1 3.8Å; L39-L59 HydrophobicContact CD1-CD1 4.11Å; L39-L59 HydrophobicContact CD1-CD2 4.1Å; L39-L59 HydrophobicContact CG-CD1 4.07Å; S57-L59 VanDerWaalsContact C-N 3.29Å; S57-L59 PolarHBondContact O-N 3.31Å; S57-L59 PolarHBondContact OG-N 3.06Å; L59-H61 WeakPolarHBondContact CD1-O 3.48Å; L59-M62 HydrophobicContact CD2-CE 3.73Å; L59-N80 HydrophobicContact CB-CB 4.04Å; L59-S81 CarbonylContact O-C 3.57Å; L59-S81 VanDerWaalsContact O-C 3.25Å; L59-S81 WeakPolarHBondContact O-CA 3.43Å; L59-S81 PolarHBondContact O-N 3.18Å; L59-L82 HydrophobicContact CD2-CD2 4.23Å; L59-L82 HydrophobicContact CG-CD2 4.04Å; L59-L82 PolarHBondContact O-N 3.34Å
60S90Very high90.8Very high55 Ų5542.4 Ų42.439%0.38523%0.23SC..  trans-95.7-27.9-172.856.60000113.8S58 S81S58-S60 PolarHBondContact O-N 2.98Å; S58-S60 VanDerWaalsContact O-N 3.09Å; S60-S81 WeakPolarHBondContact CA-O 3.34Å
61H90.6Very high90.7Very high115 Ų11544.9 Ų44.953%0.53224%0.24SC..  trans-144.7147.1-179.4-54.380.9000109.5L59L59-H61 WeakPolarHBondContact CD1-O 3.48Å
62M92.2Very high90.7Very high16 Ų1642.8 Ų42.88%0.07923%0.231CC..  trans-104.2127.8172.3-178.663.463.500108.6L39 F44 L59 I66 L77 L82 P86L39-M62 HydrophobicContact CD1-CE 4.03Å; L39-M62 HydrophobicContact CD1-SD 3.74Å; F44-M62 HydrophobicContact CE1-SD 4.3Å; F44-M62 HydrophobicContact CZ-SD 4.4Å; L59-M62 HydrophobicContact CD2-CE 3.73Å; M62-I66 HydrophobicContact CG-CB 4.27Å; M62-I66 HydrophobicContact CG-CG2 4.26Å; M62-I66 HydrophobicContact SD-CB 4.5Å; M62-I66 HydrophobicContact SD-CD1 4.38Å; M62-L77 HydrophobicContact CE-CD1 3.47Å; M62-L77 VanDerWaalsContact CE-CD1 3.47Å; M62-L77 HydrophobicContact CE-CD2 3.25Å; M62-L77 HydrophobicContact CE-CG 3.98Å; M62-L82 HydrophobicContact CB-CD2 4.38Å; M62-P86 HydrophobicContact CB-CG 4.21Å; M62-P86 HydrophobicContact CG-CG 4Å
63P91.1Very high90.8Very high35 Ų3544.1 Ų44.123%0.22724%0.239CC..  trans-67.8151.6-17927.8-36.5000112.5L39 F44 D65 I66L39-P63 HydrophobicContact CB-CG 4.43Å; F44-P63 HydrophobicContact CD2-CG 4.3Å; F44-P63 HydrophobicContact CE1-CG 4.19Å; F44-P63 HydrophobicContact CE2-CB 4.38Å; F44-P63 HydrophobicContact CE2-CG 3.31Å; F44-P63 HydrophobicContact CZ-CG 3.24Å; P63-D65 PolarHBondContact O-N 3.22Å; P63-I66 WeakPolarHBondContact O-CG2 3.23Å; P63-I66 PolarHBondContact O-N 2.93Å
64E92Very high90.9Very high97 Ų9744.9 Ų44.945%0.45324%0.244SC..G310 helixtrans-61.7-21.7176.7-67.5-67.116100112.7I66 G67 P86 D87 T88E64-I66 PolarHBondContact O-N 3.47Å; E64-I66 VanDerWaalsContact O-N 3.08Å; E64-G67 PolarHBondContact O-N 3.1Å; E64-P86 VanDerWaalsContact CD-CB 3.44Å; E64-P86 HydrophobicContact CG-CB 4.33Å; E64-P86 WeakPolarHBondContact OE1-CB 3.09Å; E64-P86 WeakPolarHBondContact OE2-CB 3.03Å; E64-D87 PolarHBondContact OE2-N 3.49Å; E64-T88 WeakPolarHBondContact CA-OG1 3.32Å; E64-T88 HydrophobicContact CB-CG2 4.21Å; E64-T88 WeakPolarHBondContact O-CB 3.15Å; E64-T88 PolarHBondContact O-OG1 2.94Å; E64-T88 WeakPolarHBondContact OE2-CB 3.4Å; E64-T88 WeakPolarHBondContact OE2-CG2 3.41Å; E64-T88 PolarHBondContact OE2-N 2.9Å; E64-T88 PolarHBondContact OE2-OG1 3.24Å; E64-T88 VanDerWaalsContact OE2-OG1 3.07Å
65D91.4Very high91.1Very high48 Ų4844.9 Ų44.926%0.25724%0.244SC..G310 helixtrans-60.1-18.5176.5-56-77.3000112.9F44 P63 G67 E68F44-D65 HydrophobicContact CB-CB 3.9Å; F44-D65 WeakPolarHBondContact CB-O 3.47Å; F44-D65 HydrophobicContact CD2-CB 3.57Å; F44-D65 HydrophobicContact CE2-CB 4.33Å; F44-D65 HydrophobicContact CG-CB 3.81Å; P63-D65 PolarHBondContact O-N 3.22Å; D65-G67 PolarHBondContact O-N 3.45Å; D65-G67 VanDerWaalsContact O-N 3.09Å; D65-E68 WeakPolarHBondContact O-CB 3.18Å; D65-E68 PolarHBondContact O-N 3.29Å
66I91.6Very high91.3Very high2 Ų245.5 Ų45.51%0.0125%0.248CC..G310 helixtrans-53-33.7175.8-169.669.3000112.3F44 M62 P63 E64 E68 M69 L72 L75 P86 L92F44-I66 HydrophobicContact CD1-CB 4.19Å; F44-I66 HydrophobicContact CD1-CD1 3.82Å; F44-I66 HydrophobicContact CE1-CB 4.17Å; F44-I66 HydrophobicContact CE1-CD1 3.69Å; M62-I66 HydrophobicContact CG-CB 4.27Å; M62-I66 HydrophobicContact CG-CG2 4.26Å; M62-I66 HydrophobicContact SD-CB 4.5Å; M62-I66 HydrophobicContact SD-CD1 4.38Å; P63-I66 WeakPolarHBondContact O-CG2 3.23Å; P63-I66 PolarHBondContact O-N 2.93Å; E64-I66 PolarHBondContact O-N 3.47Å; E64-I66 VanDerWaalsContact O-N 3.08Å; I66-E68 PolarHBondContact O-N 3.19Å; I66-M69 HydrophobicContact CD1-SD 3.67Å; I66-M69 WeakPolarHBondContact O-CB 3.3Å; I66-M69 PolarHBondContact O-N 2.99Å; I66-M69 VanDerWaalsContact O-N 3.15Å; I66-L72 HydrophobicContact CD1-CD2 4.2Å; I66-L75 HydrophobicContact CD1-CD1 4.43Å; I66-L75 HydrophobicContact CD1-CD2 4.38Å; I66-L75 HydrophobicContact CG1-CD2 4.32Å; I66-P86 HydrophobicContact CG2-CB 4.41Å; I66-P86 HydrophobicContact CG2-CG 3.47Å; I66-P86 VanDerWaalsContact CG2-CG 3.47Å; I66-L92 HydrophobicContact CG1-CD1 4.41Å; I66-L92 VanDerWaalsContact O-CD2 3.32Å; I66-L92 WeakPolarHBondContact O-CD2 3.1Å
67G88Confident91.6Very high15 Ų1540.5 Ų40.516%0.15523%0.225CC..G310 helixtrans-67.3-13179.600000115E64 D65 M69 T88E64-G67 PolarHBondContact O-N 3.1Å; D65-G67 PolarHBondContact O-N 3.45Å; D65-G67 VanDerWaalsContact O-N 3.09Å; G67-M69 PolarHBondContact O-N 3.08Å; G67-T88 WeakPolarHBondContact CA-O 3.24Å
68E89.1Confident91.8Very high109 Ų10944.5 Ų44.551%0.50924%0.239SC..G310 helixtrans-73.9-15.9174.2-61.5-167.8169.800112.4D65 I66 S70D65-E68 WeakPolarHBondContact O-CB 3.18Å; D65-E68 PolarHBondContact O-N 3.29Å; I66-E68 PolarHBondContact O-N 3.19Å; E68-S70 VanDerWaalsContact C-N 3.29Å; E68-S70 PolarHBondContact O-N 2.91Å
69M89.4Confident92Very high5 Ų541.7 Ų41.73%0.02522%0.222CC..  trans-79.668.9-176-59.2-174.474.400112.8F44 L49 V52 I66 G67 H71 L72 L92F44-M69 HydrophobicContact CB-CG 4.15Å; F44-M69 HydrophobicContact CB-SD 4.49Å; F44-M69 HydrophobicContact CD1-CG 4.31Å; F44-M69 HydrophobicContact CD1-SD 3.72Å; F44-M69 WeakPolarHBondContact O-CG 3.24Å; L49-M69 HydrophobicContact CB-CE 3.89Å; L49-M69 HydrophobicContact CD2-CE 3.5Å; L49-M69 VanDerWaalsContact CD2-CE 3.5Å; L49-M69 HydrophobicContact CG-CE 4.34Å; V52-M69 HydrophobicContact CG2-CE 3.82Å; V52-M69 HydrophobicContact CG2-SD 4.45Å; I66-M69 HydrophobicContact CD1-SD 3.67Å; I66-M69 WeakPolarHBondContact O-CB 3.3Å; I66-M69 PolarHBondContact O-N 2.99Å; I66-M69 VanDerWaalsContact O-N 3.15Å; G67-M69 PolarHBondContact O-N 3.08Å; M69-H71 PolarHBondContact O-N 3.32Å; M69-L72 HydrophobicContact CB-CB 3.95Å; M69-L72 HydrophobicContact CB-CD2 4.48Å; M69-L72 HydrophobicContact CE-CD1 3.99Å; M69-L72 WeakPolarHBondContact O-CB 3.3Å; M69-L72 PolarHBondContact O-N 2.8Å; M69-L72 HydrophobicContact SD-CD2 4.29Å; M69-L92 HydrophobicContact CB-CD2 4.12Å; M69-L92 WeakPolarHBondContact O-CD2 3.3Å
70S85.2Confident92.2Very high62 Ų6241.9 Ų41.943%0.43422%0.223SC..THydrogen-bonded Turntrans-59.2-20.7-175.5590000115.2E68 S94E68-S70 VanDerWaalsContact C-N 3.29Å; E68-S70 PolarHBondContact O-N 2.91Å; S70-S94 WeakPolarHBondContact O-CB 3.29Å; S70-S94 PolarHBondContact O-OG 2.73Å
71H89.3Confident92.4Very high107 Ų10742 Ų4250%0.49522%0.224SC..THydrogen-bonded Turntrans-97.9-2.8-179-63.1-64.1000114.2P47 M69 T73P47-H71 PolarHBondContact O-CD2 3.14Å; M69-H71 PolarHBondContact O-N 3.32Å; H71-T73 PolarHBondContact O-N 2.88Å
72L93.5Very high92.6Very high0 Ų036.6 Ų36.60%020%0.199CC..  trans-65.7120.5-177.9-168.467.6000110.6V52 I66 M69 L75 L92 S94 L95V52-L72 HydrophobicContact CB-CD1 4.09Å; V52-L72 HydrophobicContact CG2-CD1 3.51Å; I66-L72 HydrophobicContact CD1-CD2 4.2Å; M69-L72 HydrophobicContact CB-CB 3.95Å; M69-L72 HydrophobicContact CB-CD2 4.48Å; M69-L72 HydrophobicContact CE-CD1 3.99Å; M69-L72 WeakPolarHBondContact O-CB 3.3Å; M69-L72 PolarHBondContact O-N 2.8Å; M69-L72 HydrophobicContact SD-CD2 4.29Å; L72-L75 HydrophobicContact CD2-CB 4Å; L72-L75 HydrophobicContact CD2-CD1 4.23Å; L72-L75 HydrophobicContact CD2-CD2 4.23Å; L72-L75 HydrophobicContact CD2-CG 4.38Å; L72-L92 HydrophobicContact CB-CD2 4.34Å; L72-L92 HydrophobicContact CD2-CD1 4.16Å; L72-L92 HydrophobicContact CD2-CD2 4.37Å; L72-S94 CarbonylContact O-C 3.49Å; L72-S94 VanDerWaalsContact O-C 3.22Å; L72-L95 HydrophobicContact CD2-CD1 4.36Å; L72-L95 HydrophobicContact CG-CD1 4.23Å; L72-L95 WeakPolarHBondContact O-CA 3.19Å; L72-L95 PolarHBondContact O-N 3.22Å
73T95.1Very high92.7Very high31 Ų3139.6 Ų39.619%0.1922%0.215CC..  trans-104.1-29.3177.262.10000112.3N50 H71 K96 Y97N50-T73 HydrophobicContact CB-CG2 4.48Å; N50-T73 PolarHBondContact O-N 3.15Å; N50-T73 PolarHBondContact O-OG1 3.1Å; N50-T73 VanDerWaalsContact O-OG1 3.07Å; H71-T73 PolarHBondContact O-N 2.88Å; T73-K96 PolarHBondContact O-N 3Å; T73-Y97 PolarHBondContact O-N 2.91Å
74N96.4Very high92.9Very high47 Ų4740.5 Ų40.525%0.25122%0.223SC..EExtended strand (participates in β ladder)trans-133.3120.2-175.3-67.762.1000110.2N50 F51 V52N50-N74 PolarHBondContact O-N 2.96Å; F51-N74 WeakPolarHBondContact CA-O 3.41Å; F51-N74 HydrophobicContact CB-CB 4.4Å; F51-N74 HydrophobicContact CD2-CB 3.44Å; F51-N74 VanDerWaalsContact CD2-CB 3.44Å; F51-N74 HydrophobicContact CE2-CB 4.03Å; F51-N74 HydrophobicContact CG-CB 4.19Å; V52-N74 PolarHBondContact N-O 3.02Å
75L96.5Very high93.1Very high1 Ų136.3 Ų36.31%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-123.5115.6175.9-178.555.3000109.7V52 I66 L72 L77 I89 L92 L95 Y97 L98 D99V52-L75 HydrophobicContact CB-CD1 3.91Å; V52-L75 HydrophobicContact CG1-CD1 3.93Å; I66-L75 HydrophobicContact CD1-CD1 4.43Å; I66-L75 HydrophobicContact CD1-CD2 4.38Å; I66-L75 HydrophobicContact CG1-CD2 4.32Å; L72-L75 HydrophobicContact CD2-CB 4Å; L72-L75 HydrophobicContact CD2-CD1 4.23Å; L72-L75 HydrophobicContact CD2-CD2 4.23Å; L72-L75 HydrophobicContact CD2-CG 4.38Å; L75-L77 HydrophobicContact CD1-CD1 4.13Å; L75-L77 HydrophobicContact CD1-CD2 3.81Å; L75-L77 HydrophobicContact CD1-CG 3.86Å; L75-L77 HydrophobicContact CD2-CD1 4.1Å; L75-L77 HydrophobicContact CG-CD1 4.01Å; L75-L77 HydrophobicContact CG-CD2 4.49Å; L75-L77 HydrophobicContact CG-CG 3.98Å; L75-I89 HydrophobicContact CD2-CD1 4.38Å; L75-L92 HydrophobicContact CD2-CD1 4.35Å; L75-L95 HydrophobicContact CB-CD1 3.85Å; L75-Y97 PolarHBondContact N-O 3.49Å; L75-L98 HydrophobicContact CB-CD1 3.94Å; L75-L98 HydrophobicContact CD2-CD1 3.86Å; L75-L98 HydrophobicContact CG-CD1 3.9Å; L75-L98 WeakPolarHBondContact O-CA 3.05Å; L75-D99 PolarHBondContact O-N 2.99Å
76V96.6Very high93.2Very high14 Ų1434.4 Ų34.49%0.08519%0.193CC..EExtended strand (participates in β ladder)trans-120.5111.8-178.7-171.40000108.9F51 V52 E53 L54 R78 Y97 D99F51-V76 HydrophobicContact CZ-CG2 4.38Å; V52-V76 PolarHBondContact O-N 3.41Å; E53-V76 CarbonylContact C-O 3.59Å; E53-V76 WeakPolarHBondContact CA-O 3.45Å; E53-V76 HydrophobicContact CB-CB 4.06Å; E53-V76 HydrophobicContact CG-CB 3.97Å; E53-V76 HydrophobicContact CG-CG1 4.03Å; L54-V76 PolarHBondContact N-O 3.27Å; V76-R78 HydrophobicContact CG1-CB 4.33Å; V76-Y97 HydrophobicContact CG2-CD1 4.18Å; V76-Y97 HydrophobicContact CG2-CE1 3.93Å; V76-D99 HydrophobicContact CG1-CB 4.21Å
77L96Very high93.3Very high0 Ų039.3 Ų39.30%022%0.219CC..  trans-124.730.9-176.8-56.7175.2000111L54 M62 L75 N80 L82 L85 D99 V100 N103L54-L77 HydrophobicContact CB-CD2 3.93Å; L54-L77 HydrophobicContact CD1-CD2 4.39Å; L54-L77 WeakPolarHBondContact O-CA 3.03Å; M62-L77 HydrophobicContact CE-CD1 3.47Å; M62-L77 VanDerWaalsContact CE-CD1 3.47Å; M62-L77 HydrophobicContact CE-CD2 3.25Å; M62-L77 HydrophobicContact CE-CG 3.98Å; L75-L77 HydrophobicContact CD1-CD1 4.13Å; L75-L77 HydrophobicContact CD1-CD2 3.81Å; L75-L77 HydrophobicContact CD1-CG 3.86Å; L75-L77 HydrophobicContact CD2-CD1 4.1Å; L75-L77 HydrophobicContact CG-CD1 4.01Å; L75-L77 HydrophobicContact CG-CD2 4.49Å; L75-L77 HydrophobicContact CG-CG 3.98Å; L77-N80 PolarHBondContact O-ND2 3.16Å; L77-L82 HydrophobicContact CB-CD1 3.97Å; L77-L82 HydrophobicContact CD1-CD1 3.98Å; L77-L85 HydrophobicContact CD1-CD2 4.49Å; L77-D99 PolarHBondContact N-O 3.47Å; L77-V100 HydrophobicContact CB-CG1 4.21Å; L77-V100 HydrophobicContact CD1-CG1 4.15Å; L77-N103 PolarHBondContact O-ND2 2.88Å
78R94.7Very high93.6Very high92 Ų9240.4 Ų40.435%0.34722%0.224SC..THydrogen-bonded Turntrans-69.9139.7-171.4170.1174.8176.3-168.5-2.9111.8S55 H56 V76 S101S55-R78 CarbonylContact C-O 3.25Å; S55-R78 WeakPolarHBondContact CA-O 3.33Å; S55-R78 WeakPolarHBondContact CB-O 3.4Å; S55-R78 PolarHBondContact OG-N 3.43Å; H56-R78 PolarHBondContact N-O 3.02Å; V76-R78 HydrophobicContact CG1-CB 4.33Å; R78-S101 CarbonylContact C-O 3.18Å; R78-S101 VanDerWaalsContact CA-O 3.23Å; R78-S101 WeakPolarHBondContact CA-O 3.33Å; R78-S101 VanDerWaalsContact CD-OG 3.3Å; R78-S101 WeakPolarHBondContact CD-OG 3.29Å; R78-S101 VanDerWaalsContact CG-OG 3.24Å; R78-S101 WeakPolarHBondContact CG-OG 3.18Å
79G92.8Very high93.9Very high18 Ų1835.3 Ų35.319%0.18620%0.2CC..THydrogen-bonded Turntrans70.536.9171.300000113H56 S57 S101 R102H56-G79 CarbonylContact C-O 3.5Å; H56-G79 WeakPolarHBondContact CA-O 3.23Å; H56-G79 PolarHBondContact N-O 3.05Å; S57-G79 PolarHBondContact N-O 3.08Å; G79-S101 PolarHBondContact N-O 2.91Å; G79-R102 CarbonylContact C-O 3.56Å; G79-R102 WeakPolarHBondContact CA-O 3.25Å; G79-R102 PolarHBondContact N-O 3.26Å
80N94.9Very high94Very high10 Ų1035.3 Ų35.35%0.05320%0.201CC..SBendtrans-106-168.4171.7-61.9-59.8000111.5L54 S57 L59 L77 L82 R102 N103L54-N80 PolarHBondContact O-ND2 2.86Å; S57-N80 WeakPolarHBondContact CA-OD1 3.16Å; S57-N80 WeakPolarHBondContact CB-OD1 3.08Å; S57-N80 PolarHBondContact N-OD1 3.08Å; S57-N80 VanDerWaalsContact O-CA 3.28Å; S57-N80 WeakPolarHBondContact O-CA 3.11Å; S57-N80 PolarHBondContact O-OD1 3.39Å; S57-N80 PolarHBondContact OG-OD1 2.99Å; L59-N80 HydrophobicContact CB-CB 4.04Å; L77-N80 PolarHBondContact O-ND2 3.16Å; N80-L82 HydrophobicContact CB-CG 4.22Å; N80-R102 PolarHBondContact N-O 3.45Å; N80-N103 VanDerWaalsContact CA-OD1 3.25Å; N80-N103 WeakPolarHBondContact CA-OD1 3.48Å; N80-N103 WeakPolarHBondContact CB-OD1 3.43Å; N80-N103 PolarHBondContact N-OD1 3.31Å; N80-N103 PolarHBondContact O-OD1 3.48Å
81S94Very high94.4Very high59 Ų5935.6 Ų35.641%0.41320%0.203SC..  trans-112.533.9177-59.20000111.5L59 S60 N83 N103L59-S81 CarbonylContact O-C 3.57Å; L59-S81 VanDerWaalsContact O-C 3.25Å; L59-S81 WeakPolarHBondContact O-CA 3.43Å; L59-S81 PolarHBondContact O-N 3.18Å; S60-S81 WeakPolarHBondContact CA-O 3.34Å; S81-N83 PolarHBondContact O-N 3.04Å; S81-N83 PolarHBondContact O-OD1 2.88Å; S81-N103 PolarHBondContact N-OD1 3.41Å
82L95.2Very high94.6Very high0 Ų030.5 Ų30.50%018%0.179CC..  trans-68.1126.4-179.1-62.6172.4000110.2L59 M62 L77 N80 L85 N103 A104 L105L59-L82 HydrophobicContact CD2-CD2 4.23Å; L59-L82 HydrophobicContact CG-CD2 4.04Å; L59-L82 PolarHBondContact O-N 3.34Å; M62-L82 HydrophobicContact CB-CD2 4.38Å; L77-L82 HydrophobicContact CB-CD1 3.97Å; L77-L82 HydrophobicContact CD1-CD1 3.98Å; N80-L82 HydrophobicContact CB-CG 4.22Å; L82-L85 HydrophobicContact CD1-CD2 4.24Å; L82-N103 HydrophobicContact CB-CB 4.14Å; L82-N103 VanDerWaalsContact CB-OD1 3.31Å; L82-N103 WeakPolarHBondContact CB-OD1 3.27Å; L82-N103 WeakPolarHBondContact CG-OD1 3.21Å; L82-N103 PolarHBondContact N-OD1 3.23Å; L82-A104 CarbonylContact O-C 3.5Å; L82-A104 WeakPolarHBondContact O-CA 3.32Å; L82-A104 PolarHBondContact O-N 2.91Å; L82-L105 HydrophobicContact CB-CD2 4.02Å; L82-L105 PolarHBondContact O-N 3.42Å
83N94.3Very high94.4Very high79 Ų7933.6 Ų33.642%0.42221%0.205SC..SBendtrans-95.3-25.5176.4-63.6-21.6000112.6S81 A104 L105S81-N83 PolarHBondContact O-N 3.04Å; S81-N83 PolarHBondContact O-OD1 2.88Å; N83-A104 WeakPolarHBondContact OD1-CB 3.27Å; N83-L105 WeakPolarHBondContact O-CA 3.31Å
84S95.2Very high94.3Very high55 Ų5534 Ų3439%0.38521%0.209SC..  trans-147.8164.5175.959.50000110.5
85L95.5Very high94.3Very high9 Ų931.8 Ų31.85%0.04720%0.197CC..  trans-108.2146.8167.8-61.9174.1000109L77 L82 I89 V100 L105 L108 P109L77-L85 HydrophobicContact CD1-CD2 4.49Å; L82-L85 HydrophobicContact CD1-CD2 4.24Å; L85-I89 HydrophobicContact CB-CD1 4.41Å; L85-I89 HydrophobicContact CD1-CD1 4Å; L85-V100 HydrophobicContact CD1-CG1 4.12Å; L85-V100 HydrophobicContact CD1-CG2 4.47Å; L85-V100 HydrophobicContact CD2-CG1 3.97Å; L85-L105 HydrophobicContact CD1-CD1 4.15Å; L85-L105 HydrophobicContact CD2-CD1 4.49Å; L85-L105 HydrophobicContact CD2-CD2 4.34Å; L85-L105 HydrophobicContact CG-CD1 4.12Å; L85-L105 HydrophobicContact CG-CD2 4.05Å; L85-L108 HydrophobicContact CD1-CD2 3.85Å; L85-P109 HydrophobicContact CB-CG 4Å
86P94.8Very high94.3Very high7 Ų736.1 Ų36.15%0.04522%0.216CC..  trans-65.9147.5178.925.8-34.3000111.2M62 E64 I66 T88 I89M62-P86 HydrophobicContact CB-CG 4.21Å; M62-P86 HydrophobicContact CG-CG 4Å; E64-P86 VanDerWaalsContact CD-CB 3.44Å; E64-P86 HydrophobicContact CG-CB 4.33Å; E64-P86 WeakPolarHBondContact OE1-CB 3.09Å; E64-P86 WeakPolarHBondContact OE2-CB 3.03Å; I66-P86 HydrophobicContact CG2-CB 4.41Å; I66-P86 HydrophobicContact CG2-CG 3.47Å; I66-P86 VanDerWaalsContact CG2-CG 3.47Å; P86-T88 PolarHBondContact O-N 2.9Å; P86-I89 WeakPolarHBondContact O-CB 3.37Å; P86-I89 VanDerWaalsContact O-CG2 3.27Å; P86-I89 WeakPolarHBondContact O-CG2 3.16Å; P86-I89 PolarHBondContact O-N 3.08Å; P86-I89 VanDerWaalsContact O-N 3.12Å
87D93.7Very high94.3Very high105 Ų10537.6 Ų37.656%0.56122%0.22SC*.G310 helixtrans-64.3-27.4178.6-83.5-23.6000111.4E64 I89 G90 P109 S111E64-D87 PolarHBondContact OE2-N 3.49Å; D87-I89 PolarHBondContact O-N 3.31Å; D87-I89 VanDerWaalsContact O-N 3.13Å; D87-G90 PolarHBondContact O-N 3.02Å; D87-P109 WeakPolarHBondContact OD1-CB 3.32Å; D87-S111 WeakPolarHBondContact O-CB 3.18Å; D87-S111 PolarHBondContact O-OG 3.25Å
88T94.2Very high94.4Very high39 Ų3937.6 Ų37.624%0.23922%0.22CC..G310 helixtrans-68-7.1176.560.70000114.5E64 G67 P86 G90 S91E64-T88 WeakPolarHBondContact CA-OG1 3.32Å; E64-T88 HydrophobicContact CB-CG2 4.21Å; E64-T88 WeakPolarHBondContact O-CB 3.15Å; E64-T88 PolarHBondContact O-OG1 2.94Å; E64-T88 WeakPolarHBondContact OE2-CB 3.4Å; E64-T88 WeakPolarHBondContact OE2-CG2 3.41Å; E64-T88 PolarHBondContact OE2-N 2.9Å; E64-T88 PolarHBondContact OE2-OG1 3.24Å; E64-T88 VanDerWaalsContact OE2-OG1 3.07Å; G67-T88 WeakPolarHBondContact CA-O 3.24Å; P86-T88 PolarHBondContact O-N 2.9Å; T88-G90 PolarHBondContact O-N 3.1Å; T88-G90 VanDerWaalsContact O-N 3.16Å; T88-S91 VanDerWaalsContact O-CB 3.26Å; T88-S91 WeakPolarHBondContact O-CB 3.44Å; T88-S91 PolarHBondContact O-N 3.43Å; T88-S91 PolarHBondContact O-OG 3.42Å
89I94.6Very high94.5Very high2 Ų233.6 Ų33.61%0.0121%0.206CC..G310 helixtrans-58.5-29.4174.9-156.8168.7000112L75 L85 P86 D87 S91 L92 L98 P109 I112 C115L75-I89 HydrophobicContact CD2-CD1 4.38Å; L85-I89 HydrophobicContact CB-CD1 4.41Å; L85-I89 HydrophobicContact CD1-CD1 4Å; P86-I89 WeakPolarHBondContact O-CB 3.37Å; P86-I89 VanDerWaalsContact O-CG2 3.27Å; P86-I89 WeakPolarHBondContact O-CG2 3.16Å; P86-I89 PolarHBondContact O-N 3.08Å; P86-I89 VanDerWaalsContact O-N 3.12Å; D87-I89 PolarHBondContact O-N 3.31Å; D87-I89 VanDerWaalsContact O-N 3.13Å; I89-S91 PolarHBondContact O-N 2.73Å; I89-L92 HydrophobicContact CG1-CD1 3.85Å; I89-L92 WeakPolarHBondContact O-CB 3.35Å; I89-L92 WeakPolarHBondContact O-CG 3.46Å; I89-L92 PolarHBondContact O-N 3.3Å; I89-L98 HydrophobicContact CD1-CD1 4.27Å; I89-L98 HydrophobicContact CD1-CD2 3.97Å; I89-P109 HydrophobicContact CG2-CG 3.58Å; I89-I112 HydrophobicContact CG2-CB 4.44Å; I89-C115 PolarHBondContact O-SG 2.87Å
90G91.6Very high94.8Very high4 Ų432.7 Ų32.74%0.04120%0.197CC..G310 helixtrans-64.6-20.1175.200000114.6D87 T88 L92 S111 Q114D87-G90 PolarHBondContact O-N 3.02Å; T88-G90 PolarHBondContact O-N 3.1Å; T88-G90 VanDerWaalsContact O-N 3.16Å; G90-L92 PolarHBondContact O-N 2.8Å; G90-S111 WeakPolarHBondContact CA-O 3.25Å; G90-Q114 WeakPolarHBondContact O-CB 3.38Å
91S93.1Very high94.8Very high69 Ų6932.3 Ų32.348%0.48319%0.194SC..G310 helixtrans-76.2-9.8178.7-580000113.4T88 I89 A93T88-S91 VanDerWaalsContact O-CB 3.26Å; T88-S91 WeakPolarHBondContact O-CB 3.44Å; T88-S91 PolarHBondContact O-N 3.43Å; T88-S91 PolarHBondContact O-OG 3.42Å; I89-S91 PolarHBondContact O-N 2.73Å; S91-A93 VanDerWaalsContact C-N 3.26Å; S91-A93 PolarHBondContact O-N 3.27Å
92L93.8Very high94.9Very high0 Ų035.8 Ų35.80%020%0.199CC..  trans-75.473.8-178.4-61.8176000111.7I66 M69 L72 L75 I89 G90 S94 L95I66-L92 HydrophobicContact CG1-CD1 4.41Å; I66-L92 VanDerWaalsContact O-CD2 3.32Å; I66-L92 WeakPolarHBondContact O-CD2 3.1Å; M69-L92 HydrophobicContact CB-CD2 4.12Å; M69-L92 WeakPolarHBondContact O-CD2 3.3Å; L72-L92 HydrophobicContact CB-CD2 4.34Å; L72-L92 HydrophobicContact CD2-CD1 4.16Å; L72-L92 HydrophobicContact CD2-CD2 4.37Å; L75-L92 HydrophobicContact CD2-CD1 4.35Å; I89-L92 HydrophobicContact CG1-CD1 3.85Å; I89-L92 WeakPolarHBondContact O-CB 3.35Å; I89-L92 WeakPolarHBondContact O-CG 3.46Å; I89-L92 PolarHBondContact O-N 3.3Å; G90-L92 PolarHBondContact O-N 2.8Å; L92-S94 PolarHBondContact O-N 3.45Å; L92-S94 VanDerWaalsContact O-N 3.08Å; L92-L95 HydrophobicContact CB-CB 3.87Å; L92-L95 HydrophobicContact CB-CD2 4.34Å; L92-L95 HydrophobicContact CD1-CD1 4.43Å; L92-L95 HydrophobicContact CD1-CD2 3.96Å; L92-L95 WeakPolarHBondContact O-CB 3.32Å; L92-L95 PolarHBondContact O-N 2.78Å; L92-L95 VanDerWaalsContact O-N 3.08Å
93A89.1Confident95Very high65 Ų6536.6 Ų36.654%0.53720%0.203SC..THydrogen-bonded Turntrans-59.7-24.6-173.700000114.5S91 Q117S91-A93 VanDerWaalsContact C-N 3.26Å; S91-A93 PolarHBondContact O-N 3.27Å; A93-Q117 VanDerWaalsContact O-CG 3.24Å; A93-Q117 WeakPolarHBondContact O-CG 3.28Å
94S93.2Very high95.1Very high40 Ų4033.8 Ų33.828%0.2819%0.191SC..THydrogen-bonded Turntrans-95.3-2.8-178.6-58.70000114.1S70 L72 L92 K96S70-S94 WeakPolarHBondContact O-CB 3.29Å; S70-S94 PolarHBondContact O-OG 2.73Å; L72-S94 CarbonylContact O-C 3.49Å; L72-S94 VanDerWaalsContact O-C 3.22Å; L92-S94 PolarHBondContact O-N 3.45Å; L92-S94 VanDerWaalsContact O-N 3.08Å; S94-K96 PolarHBondContact O-N 2.85Å
95L96.3Very high95.1Very high0 Ų031.2 Ų31.20%017%0.173CC..  trans-68.3125.2-171.9-165.669.5000111.1L72 L75 L92 L98 Q117 L118L72-L95 HydrophobicContact CD2-CD1 4.36Å; L72-L95 HydrophobicContact CG-CD1 4.23Å; L72-L95 WeakPolarHBondContact O-CA 3.19Å; L72-L95 PolarHBondContact O-N 3.22Å; L75-L95 HydrophobicContact CB-CD1 3.85Å; L92-L95 HydrophobicContact CB-CB 3.87Å; L92-L95 HydrophobicContact CB-CD2 4.34Å; L92-L95 HydrophobicContact CD1-CD1 4.43Å; L92-L95 HydrophobicContact CD1-CD2 3.96Å; L92-L95 WeakPolarHBondContact O-CB 3.32Å; L92-L95 PolarHBondContact O-N 2.78Å; L92-L95 VanDerWaalsContact O-N 3.08Å; L95-L98 HydrophobicContact CD2-CB 4.17Å; L95-L98 HydrophobicContact CD2-CD2 4.48Å; L95-Q117 CarbonylContact O-C 3.58Å; L95-L118 HydrophobicContact CB-CD1 4.32Å; L95-L118 HydrophobicContact CD2-CD1 3.87Å; L95-L118 HydrophobicContact CG-CD1 3.76Å; L95-L118 VanDerWaalsContact O-CA 3.29Å; L95-L118 WeakPolarHBondContact O-CA 3.45Å; L95-L118 PolarHBondContact O-N 3.1Å; L95-L118 VanDerWaalsContact O-N 3.11Å
96K96.6Very high95.1Very high91 Ų9134.3 Ų34.340%0.39619%0.192SC..  trans-113.3-31.2-179.8-66.3176.3-173.8172.60112.4T73 S94 Q119 T120T73-K96 PolarHBondContact O-N 3Å; S94-K96 PolarHBondContact O-N 2.85Å; K96-Q119 HydrophobicContact CB-CG 4.43Å; K96-Q119 WeakPolarHBondContact O-CA 3.46Å; K96-Q119 WeakPolarHBondContact O-CB 3.46Å; K96-Q119 PolarHBondContact O-N 3.19Å; K96-T120 PolarHBondContact O-N 3.2Å
97Y97.3Very high95.2Very high46 Ų4640.1 Ų40.118%0.1822%0.219CC..EExtended strand (participates in β ladder)trans-131.5123.1-177.5-175-81.9000109.9T73 L75 V76 D99 T120T73-Y97 PolarHBondContact O-N 2.91Å; L75-Y97 PolarHBondContact N-O 3.49Å; V76-Y97 HydrophobicContact CG2-CD1 4.18Å; V76-Y97 HydrophobicContact CG2-CE1 3.93Å; Y97-D99 HydrophobicContact CD1-CB 4.41Å; Y97-D99 HydrophobicContact CE1-CB 3.49Å; Y97-D99 VanDerWaalsContact CE1-CB 3.49Å; Y97-D99 PolarHBondContact OH-OD2 3.34Å; Y97-T120 HydrophobicContact CD2-CG2 3.74Å; Y97-T120 HydrophobicContact CE2-CG2 3.56Å
98L97.7Very high95.3Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-126.7119.3173.518059.5000109.6L75 I89 L95 V100 I112 L118 T120 L121 N122L75-L98 HydrophobicContact CB-CD1 3.94Å; L75-L98 HydrophobicContact CD2-CD1 3.86Å; L75-L98 HydrophobicContact CG-CD1 3.9Å; L75-L98 WeakPolarHBondContact O-CA 3.05Å; I89-L98 HydrophobicContact CD1-CD1 4.27Å; I89-L98 HydrophobicContact CD1-CD2 3.97Å; L95-L98 HydrophobicContact CD2-CB 4.17Å; L95-L98 HydrophobicContact CD2-CD2 4.48Å; L98-V100 HydrophobicContact CD1-CG1 3.82Å; L98-V100 HydrophobicContact CG-CG1 4.19Å; L98-I112 HydrophobicContact CD2-CD1 3.91Å; L98-L118 HydrophobicContact CB-CD1 3.91Å; L98-L118 HydrophobicContact CB-CD2 4.41Å; L98-T120 PolarHBondContact N-O 3.13Å; L98-L121 HydrophobicContact CB-CD1 4.18Å; L98-L121 HydrophobicContact CD2-CD1 3.86Å; L98-L121 HydrophobicContact CG-CD1 4.16Å; L98-L121 WeakPolarHBondContact O-CA 3.37Å; L98-N122 PolarHBondContact O-N 3.32Å
99D97.7Very high95.3Very high7 Ų734.6 Ų34.64%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-121.3112.3172.2-176.1-9.5000110L75 V76 L77 Y97 S101 N122L75-D99 PolarHBondContact O-N 2.99Å; V76-D99 HydrophobicContact CG1-CB 4.21Å; L77-D99 PolarHBondContact N-O 3.47Å; Y97-D99 HydrophobicContact CD1-CB 4.41Å; Y97-D99 HydrophobicContact CE1-CB 3.49Å; Y97-D99 VanDerWaalsContact CE1-CB 3.49Å; Y97-D99 PolarHBondContact OH-OD2 3.34Å; D99-S101 WeakPolarHBondContact OD1-CB 3.42Å; D99-S101 PolarHBondContact OD1-N 2.85Å; D99-S101 PolarHBondContact OD1-OG 2.93Å; D99-N122 HydrophobicContact CB-CB 4.14Å; D99-N122 PolarHBondContact OD1-ND2 3.05Å; D99-N122 PolarHBondContact OD2-ND2 3.32Å
100V97.2Very high95.2Very high0 Ų038.1 Ų38.10%022%0.218CC..  trans-121.325.8175.1-650000109.9L77 L85 L98 N103 L105 N122 L123 N126L77-V100 HydrophobicContact CB-CG1 4.21Å; L77-V100 HydrophobicContact CD1-CG1 4.15Å; L85-V100 HydrophobicContact CD1-CG1 4.12Å; L85-V100 HydrophobicContact CD1-CG2 4.47Å; L85-V100 HydrophobicContact CD2-CG1 3.97Å; L98-V100 HydrophobicContact CD1-CG1 3.82Å; L98-V100 HydrophobicContact CG-CG1 4.19Å; V100-N103 PolarHBondContact O-ND2 3.06Å; V100-L105 HydrophobicContact CB-CD1 3.92Å; V100-L105 HydrophobicContact CG2-CD1 3.65Å; V100-N122 WeakPolarHBondContact CG2-O 3.28Å; V100-N122 PolarHBondContact N-O 2.62Å; V100-L123 HydrophobicContact CG2-CD2 3.45Å; V100-L123 VanDerWaalsContact CG2-CD2 3.45Å; V100-N126 PolarHBondContact O-ND2 3.05Å
101S96.5Very high95.4Very high1 Ų138.8 Ų38.81%0.00722%0.221CC..  trans-64.2153.3-178.461.10000112.3R78 G79 D99 N103 N122 S124R78-S101 CarbonylContact C-O 3.18Å; R78-S101 VanDerWaalsContact CA-O 3.23Å; R78-S101 WeakPolarHBondContact CA-O 3.33Å; R78-S101 VanDerWaalsContact CD-OG 3.3Å; R78-S101 WeakPolarHBondContact CD-OG 3.29Å; R78-S101 VanDerWaalsContact CG-OG 3.24Å; R78-S101 WeakPolarHBondContact CG-OG 3.18Å; G79-S101 PolarHBondContact N-O 2.91Å; D99-S101 WeakPolarHBondContact OD1-CB 3.42Å; D99-S101 PolarHBondContact OD1-N 2.85Å; D99-S101 PolarHBondContact OD1-OG 2.93Å; S101-N103 PolarHBondContact O-N 3.33Å; S101-N103 PolarHBondContact O-ND2 3.1Å; S101-N122 PolarHBondContact N-O 3.05Å; S101-S124 CarbonylContact C-O 3.47Å; S101-S124 WeakPolarHBondContact CA-O 3.34Å; S101-S124 VanDerWaalsContact CB-O 3.27Å; S101-S124 WeakPolarHBondContact CB-O 3.48Å; S101-S124 WeakPolarHBondContact CB-OG 3.12Å
102R95.6Very high95.5Very high133 Ų13335.5 Ų35.550%0.50220%0.199SC..SBendtrans57.247.9179.6-57.6175.7179-113.7-3.8112.5G79 N80 S124 N125G79-R102 CarbonylContact C-O 3.56Å; G79-R102 WeakPolarHBondContact CA-O 3.25Å; G79-R102 PolarHBondContact N-O 3.26Å; N80-R102 PolarHBondContact N-O 3.45Å; R102-S124 PolarHBondContact N-O 3.03Å; R102-N125 WeakPolarHBondContact CA-O 3.34Å; R102-N125 HydrophobicContact CB-CB 4.37Å; R102-N125 HydrophobicContact CG-CB 3.73Å; R102-N125 PolarHBondContact N-O 2.95Å
103N96.6Very high95.5Very high16 Ų1636.1 Ų36.19%0.08620%0.202CC..SBendtrans-116.2-167.1169.8-80.5-78.5000109.7L77 N80 S81 L82 V100 S101 L105 N125 N126L77-N103 PolarHBondContact O-ND2 2.88Å; N80-N103 VanDerWaalsContact CA-OD1 3.25Å; N80-N103 WeakPolarHBondContact CA-OD1 3.48Å; N80-N103 WeakPolarHBondContact CB-OD1 3.43Å; N80-N103 PolarHBondContact N-OD1 3.31Å; N80-N103 PolarHBondContact O-OD1 3.48Å; S81-N103 PolarHBondContact N-OD1 3.41Å; L82-N103 HydrophobicContact CB-CB 4.14Å; L82-N103 VanDerWaalsContact CB-OD1 3.31Å; L82-N103 WeakPolarHBondContact CB-OD1 3.27Å; L82-N103 WeakPolarHBondContact CG-OD1 3.21Å; L82-N103 PolarHBondContact N-OD1 3.23Å; V100-N103 PolarHBondContact O-ND2 3.06Å; S101-N103 PolarHBondContact O-N 3.33Å; S101-N103 PolarHBondContact O-ND2 3.1Å; N103-L105 HydrophobicContact CB-CG 4.14Å; N103-N125 PolarHBondContact N-O 3.16Å; N103-N126 VanDerWaalsContact CA-OD1 3.28Å; N103-N126 WeakPolarHBondContact CA-OD1 3.25Å; N103-N126 WeakPolarHBondContact CB-OD1 3.3Å; N103-N126 PolarHBondContact N-OD1 3.19Å; N103-N126 PolarHBondContact O-OD1 3.3Å
104A96.1Very high95.7Very high21 Ų2139.2 Ų39.217%0.17421%0.206CC..  trans-11629.7177.100000111.9L82 N83 T106 N126L82-A104 CarbonylContact O-C 3.5Å; L82-A104 WeakPolarHBondContact O-CA 3.32Å; L82-A104 PolarHBondContact O-N 2.91Å; N83-A104 WeakPolarHBondContact OD1-CB 3.27Å; A104-T106 PolarHBondContact O-N 3.27Å; A104-N126 PolarHBondContact N-OD1 2.86Å
105L96.9Very high95.7Very high0 Ų037.3 Ų37.30%019%0.193CC..  trans-63.3126.3-177.1-60176.4000110.9L82 N83 L85 V100 N103 L108 N126 R127 L128L82-L105 HydrophobicContact CB-CD2 4.02Å; L82-L105 PolarHBondContact O-N 3.42Å; N83-L105 WeakPolarHBondContact O-CA 3.31Å; L85-L105 HydrophobicContact CD1-CD1 4.15Å; L85-L105 HydrophobicContact CD2-CD1 4.49Å; L85-L105 HydrophobicContact CD2-CD2 4.34Å; L85-L105 HydrophobicContact CG-CD1 4.12Å; L85-L105 HydrophobicContact CG-CD2 4.05Å; V100-L105 HydrophobicContact CB-CD1 3.92Å; V100-L105 HydrophobicContact CG2-CD1 3.65Å; N103-L105 HydrophobicContact CB-CG 4.14Å; L105-L108 HydrophobicContact CD1-CD2 4.3Å; L105-N126 HydrophobicContact CB-CB 4.22Å; L105-N126 WeakPolarHBondContact CB-OD1 3.36Å; L105-N126 WeakPolarHBondContact CG-OD1 3.5Å; L105-N126 PolarHBondContact N-OD1 3.42Å; L105-R127 CarbonylContact O-C 3.57Å; L105-R127 VanDerWaalsContact O-CA 3.3Å; L105-R127 WeakPolarHBondContact O-CA 3.44Å; L105-R127 PolarHBondContact O-N 2.83Å; L105-L128 HydrophobicContact CB-CD2 3.95Å; L105-L128 PolarHBondContact O-N 3.09Å; L105-L128 VanDerWaalsContact O-N 3.14Å
106T95.4Very high95.4Very high74 Ų7438.4 Ų38.445%0.45420%0.204SC..SBendtrans-96.1-26.3176.752.50000113.2A104 R127 L128 T129A104-T106 PolarHBondContact O-N 3.27Å; T106-R127 HydrophobicContact CG2-CB 4.39Å; T106-L128 WeakPolarHBondContact O-CA 3.31Å; T106-T129 PolarHBondContact O-N 3.49Å
107E95.9Very high95.3Very high130 Ų13037.6 Ų37.661%0.60720%0.201SC*.  trans-148164.5177.462.7-173.9-172.200110.7
108L95.6Very high95.2Very high17 Ų1735.4 Ų35.49%0.08919%0.193CC..  trans-109.9142.9170.9-67.8173.6000109.5L85 L105 A110 I112 L123 L128 L131 P132L85-L108 HydrophobicContact CD1-CD2 3.85Å; L105-L108 HydrophobicContact CD1-CD2 4.3Å; L108-A110 PolarHBondContact O-N 3.36Å; L108-I112 HydrophobicContact CB-CG2 4.43Å; L108-I112 HydrophobicContact CD1-CD1 4.35Å; L108-I112 HydrophobicContact CD2-CD1 4.26Å; L108-L123 HydrophobicContact CD1-CD1 3.62Å; L108-L123 HydrophobicContact CD1-CD2 3.9Å; L108-L123 HydrophobicContact CD1-CG 4.4Å; L108-L123 HydrophobicContact CD2-CD2 3.84Å; L108-L123 HydrophobicContact CG-CD2 4.46Å; L108-L128 HydrophobicContact CD1-CD1 4.23Å; L108-L128 HydrophobicContact CD2-CD2 4.34Å; L108-L128 HydrophobicContact CG-CD1 4.23Å; L108-L128 HydrophobicContact CG-CD2 3.95Å; L108-L131 HydrophobicContact CD1-CD2 4.34Å; L108-P132 HydrophobicContact CB-CG 4.47Å; L108-P132 HydrophobicContact CD1-CG 4.46Å
109P95.1Very high95.2Very high11 Ų1137.2 Ų37.27%0.07120%0.201CC..  trans-63137.417727-34.2000109.7L85 D87 I89 S111 I112L85-P109 HydrophobicContact CB-CG 4Å; D87-P109 WeakPolarHBondContact OD1-CB 3.32Å; I89-P109 HydrophobicContact CG2-CG 3.58Å; P109-S111 PolarHBondContact O-N 3.19Å; P109-S111 VanDerWaalsContact O-N 3.1Å; P109-I112 HydrophobicContact CG-CB 4.46Å; P109-I112 WeakPolarHBondContact O-CB 3.3Å; P109-I112 WeakPolarHBondContact O-CG2 3.4Å; P109-I112 PolarHBondContact O-N 2.73Å
110A92.8Very high95.2Very high76 Ų7638.5 Ų38.563%0.62821%0.209SC*.G310 helixtrans-59.5-26.7-178.300000112.1L108 I112 V113L108-A110 PolarHBondContact O-N 3.36Å; A110-I112 PolarHBondContact O-N 2.73Å; A110-V113 VanDerWaalsContact O-CG2 3.26Å; A110-V113 WeakPolarHBondContact O-CG2 3.37Å
111S94.9Very high95.2Very high17 Ų1738.6 Ų38.612%0.11921%0.21CC..G310 helixtrans-65.7-18.5176.763.90000114.1D87 G90 P109 V113 Q114D87-S111 WeakPolarHBondContact O-CB 3.18Å; D87-S111 PolarHBondContact O-OG 3.25Å; G90-S111 WeakPolarHBondContact CA-O 3.25Å; P109-S111 PolarHBondContact O-N 3.19Å; P109-S111 VanDerWaalsContact O-N 3.1Å; S111-V113 PolarHBondContact O-N 2.79Å; S111-Q114 WeakPolarHBondContact O-CB 3.26Å; S111-Q114 WeakPolarHBondContact O-CG 3.2Å; S111-Q114 PolarHBondContact O-N 3.25Å
112I94.9Very high95.3Very high1 Ų139.5 Ų39.51%0.00522%0.215CC..G310 helixtrans-57.3-26.7-179.3-161.2172.4000112.5I89 L98 L108 P109 A110 Q114 C115 L121 P132I89-I112 HydrophobicContact CG2-CB 4.44Å; L98-I112 HydrophobicContact CD2-CD1 3.91Å; L108-I112 HydrophobicContact CB-CG2 4.43Å; L108-I112 HydrophobicContact CD1-CD1 4.35Å; L108-I112 HydrophobicContact CD2-CD1 4.26Å; P109-I112 HydrophobicContact CG-CB 4.46Å; P109-I112 WeakPolarHBondContact O-CB 3.3Å; P109-I112 WeakPolarHBondContact O-CG2 3.4Å; P109-I112 PolarHBondContact O-N 2.73Å; A110-I112 PolarHBondContact O-N 2.73Å; I112-Q114 PolarHBondContact O-N 3.25Å; I112-C115 WeakPolarHBondContact O-CB 3.38Å; I112-C115 PolarHBondContact O-N 3.45Å; I112-L121 HydrophobicContact CD1-CD1 4.33Å; I112-P132 HydrophobicContact CG2-CB 4.36Å; I112-P132 HydrophobicContact CG2-CG 3.69Å
113V93.7Very high95.4Very high13 Ų1333.2 Ų33.28%0.07919%0.191CC..G310 helixtrans-70.3-11.5177.1-51.10000113.3A110 S111 C115 P132 M135 N137A110-V113 VanDerWaalsContact O-CG2 3.26Å; A110-V113 WeakPolarHBondContact O-CG2 3.37Å; S111-V113 PolarHBondContact O-N 2.79Å; V113-C115 VanDerWaalsContact C-N 3.33Å; V113-P132 HydrophobicContact CG1-CB 4.06Å; V113-P132 HydrophobicContact CG1-CG 4.06Å; V113-M135 HydrophobicContact CG1-CG 4.44Å; V113-N137 WeakPolarHBondContact O-CB 3.01Å
114Q93.8Very high95.4Very high129 Ų12932.9 Ų32.960%0.60319%0.19SC*.G310 helixtrans-80.7-13.5175-59.3177.7-7.300112.6G90 S111 I112 G116G90-Q114 WeakPolarHBondContact O-CB 3.38Å; S111-Q114 WeakPolarHBondContact O-CB 3.26Å; S111-Q114 WeakPolarHBondContact O-CG 3.2Å; S111-Q114 PolarHBondContact O-N 3.25Å; I112-Q114 PolarHBondContact O-N 3.25Å; Q114-G116 PolarHBondContact O-N 2.9Å
115C93.6Very high95.4Very high1 Ų134.7 Ų34.71%0.00720%0.197CC..  trans-70.770.1172.9-63.40000111I89 I112 V113 Q117 L118I89-C115 PolarHBondContact O-SG 2.87Å; I112-C115 WeakPolarHBondContact O-CB 3.38Å; I112-C115 PolarHBondContact O-N 3.45Å; V113-C115 VanDerWaalsContact C-N 3.33Å; C115-Q117 PolarHBondContact O-N 3.5Å; C115-Q117 VanDerWaalsContact O-N 3.1Å; C115-L118 HydrophobicContact CB-CB 4.22Å; C115-L118 WeakPolarHBondContact O-CB 3.49Å; C115-L118 PolarHBondContact O-N 3.49Å; C115-L118 VanDerWaalsContact O-N 3.07Å
116G90.1Very high95.4Very high23 Ų2335.2 Ų35.224%0.23720%0.199CC..THydrogen-bonded Turntrans-62.3-22.8-170.700000114.5Q114Q114-G116 PolarHBondContact O-N 2.9Å
117Q93.6Very high95.5Very high74 Ų7438.9 Ų38.935%0.34621%0.205SC..THydrogen-bonded Turntrans-89.1-0.9179.4-65.4-63.3-48.100114.1A93 L95 C115 Q119A93-Q117 VanDerWaalsContact O-CG 3.24Å; A93-Q117 WeakPolarHBondContact O-CG 3.28Å; L95-Q117 CarbonylContact O-C 3.58Å; C115-Q117 PolarHBondContact O-N 3.5Å; C115-Q117 VanDerWaalsContact O-N 3.1Å; Q117-Q119 WeakPolarHBondContact O-CG 3.47Å; Q117-Q119 PolarHBondContact O-N 3.43Å
118L96.3Very high95.6Very high0 Ų032.7 Ų32.70%018%0.176CC..  trans-66.2127.1-174.1-159.674.5000111L95 L98 C115 L121 M138 W140 L141L95-L118 HydrophobicContact CB-CD1 4.32Å; L95-L118 HydrophobicContact CD2-CD1 3.87Å; L95-L118 HydrophobicContact CG-CD1 3.76Å; L95-L118 VanDerWaalsContact O-CA 3.29Å; L95-L118 WeakPolarHBondContact O-CA 3.45Å; L95-L118 PolarHBondContact O-N 3.1Å; L95-L118 VanDerWaalsContact O-N 3.11Å; L98-L118 HydrophobicContact CB-CD1 3.91Å; L98-L118 HydrophobicContact CB-CD2 4.41Å; C115-L118 HydrophobicContact CB-CB 4.22Å; C115-L118 WeakPolarHBondContact O-CB 3.49Å; C115-L118 PolarHBondContact O-N 3.49Å; C115-L118 VanDerWaalsContact O-N 3.07Å; L118-L121 HydrophobicContact CD2-CB 3.88Å; L118-L121 HydrophobicContact CD2-CD1 4.11Å; L118-L121 HydrophobicContact CD2-CD2 4.34Å; L118-L121 HydrophobicContact CD2-CG 4.33Å; L118-M138 HydrophobicContact CB-CE 3.8Å; L118-M138 HydrophobicContact CD2-CE 3.27Å; L118-M138 HydrophobicContact CG-CE 4.12Å; L118-W140 CarbonylContact O-C 3.55Å; L118-L141 HydrophobicContact CD2-CD2 4.37Å; L118-L141 HydrophobicContact CG-CD2 4.47Å; L118-L141 WeakPolarHBondContact O-CA 3.36Å; L118-L141 PolarHBondContact O-N 2.99Å; L118-L141 VanDerWaalsContact O-N 3.1Å
119Q97.2Very high95.6Very high38 Ų3835.2 Ų35.218%0.17819%0.192CC..  trans-107.5-40.1-178.4-57.6-175.65.500111.4K96 Q117 W140 I142 H143K96-Q119 HydrophobicContact CB-CG 4.43Å; K96-Q119 WeakPolarHBondContact O-CA 3.46Å; K96-Q119 WeakPolarHBondContact O-CB 3.46Å; K96-Q119 PolarHBondContact O-N 3.19Å; Q117-Q119 WeakPolarHBondContact O-CG 3.47Å; Q117-Q119 PolarHBondContact O-N 3.43Å; Q119-W140 WeakPolarHBondContact CA-O 3.36Å; Q119-W140 HydrophobicContact CG-CB 4.41Å; Q119-I142 HydrophobicContact CB-CD1 4.12Å; Q119-I142 HydrophobicContact CB-CG1 4.28Å; Q119-I142 HydrophobicContact CG-CD1 4.44Å; Q119-I142 WeakPolarHBondContact O-CA 3.39Å; Q119-I142 WeakPolarHBondContact O-CB 3.32Å; Q119-I142 PolarHBondContact O-N 2.99Å; Q119-H143 PolarHBondContact O-N 3.17Å
120T97.3Very high95.6Very high33 Ų3337.1 Ų37.120%0.20221%0.209CC..EExtended strand (participates in β ladder)trans-126.9126.6-178.4-58.10000110K96 Y97 L98 H143K96-T120 PolarHBondContact O-N 3.2Å; Y97-T120 HydrophobicContact CD2-CG2 3.74Å; Y97-T120 HydrophobicContact CE2-CG2 3.56Å; L98-T120 PolarHBondContact N-O 3.13Å; T120-H143 WeakPolarHBondContact CA-O 3.45Å; T120-H143 HydrophobicContact CG2-CB 4.28Å
121L97.4Very high95.7Very high2 Ų234 Ų341%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-127.1106.3177.8177.156.4000109.4L98 I112 L118 L123 M135 M138 L141 H143 V144 D145L98-L121 HydrophobicContact CB-CD1 4.18Å; L98-L121 HydrophobicContact CD2-CD1 3.86Å; L98-L121 HydrophobicContact CG-CD1 4.16Å; L98-L121 WeakPolarHBondContact O-CA 3.37Å; I112-L121 HydrophobicContact CD1-CD1 4.33Å; L118-L121 HydrophobicContact CD2-CB 3.88Å; L118-L121 HydrophobicContact CD2-CD1 4.11Å; L118-L121 HydrophobicContact CD2-CD2 4.34Å; L118-L121 HydrophobicContact CD2-CG 4.33Å; L121-L123 HydrophobicContact CD1-CD1 4.41Å; L121-L123 HydrophobicContact CD1-CD2 3.69Å; L121-L123 HydrophobicContact CD1-CG 3.94Å; L121-L123 HydrophobicContact CD2-CD1 4.05Å; L121-L123 HydrophobicContact CD2-CG 4.44Å; L121-L123 HydrophobicContact CG-CD1 4Å; L121-L123 HydrophobicContact CG-CD2 4.18Å; L121-L123 HydrophobicContact CG-CG 3.87Å; L121-M135 HydrophobicContact CD2-CE 4.22Å; L121-M138 HydrophobicContact CD2-CE 4.38Å; L121-L141 HydrophobicContact CB-CD2 4.3Å; L121-H143 PolarHBondContact N-O 3.17Å; L121-V144 HydrophobicContact CB-CG2 4.34Å; L121-V144 WeakPolarHBondContact O-CA 3.36Å; L121-D145 PolarHBondContact O-N 3.17Å
122N97.6Very high95.7Very high21 Ų2134 Ų3411%0.11218%0.182CC..EExtended strand (participates in β ladder)trans-105.6111177.3-173.73.4000110.5L98 D99 V100 S101 S124L98-N122 PolarHBondContact O-N 3.32Å; D99-N122 HydrophobicContact CB-CB 4.14Å; D99-N122 PolarHBondContact OD1-ND2 3.05Å; D99-N122 PolarHBondContact OD2-ND2 3.32Å; V100-N122 WeakPolarHBondContact CG2-O 3.28Å; V100-N122 PolarHBondContact N-O 2.62Å; S101-N122 PolarHBondContact N-O 3.05Å; N122-S124 WeakPolarHBondContact OD1-CB 3.42Å; N122-S124 PolarHBondContact OD1-N 3.22Å; N122-S124 VanDerWaalsContact OD1-N 3.11Å; N122-S124 PolarHBondContact OD1-OG 3.3Å
123L97.6Very high95.4Very high0 Ų042.3 Ų42.30%022%0.22CC..  trans-115.77.9-178.9-56.7170.8000111.6V100 L108 L121 N126 L128 L131 D145 A146 N149V100-L123 HydrophobicContact CG2-CD2 3.45Å; V100-L123 VanDerWaalsContact CG2-CD2 3.45Å; L108-L123 HydrophobicContact CD1-CD1 3.62Å; L108-L123 HydrophobicContact CD1-CD2 3.9Å; L108-L123 HydrophobicContact CD1-CG 4.4Å; L108-L123 HydrophobicContact CD2-CD2 3.84Å; L108-L123 HydrophobicContact CG-CD2 4.46Å; L121-L123 HydrophobicContact CD1-CD1 4.41Å; L121-L123 HydrophobicContact CD1-CD2 3.69Å; L121-L123 HydrophobicContact CD1-CG 3.94Å; L121-L123 HydrophobicContact CD2-CD1 4.05Å; L121-L123 HydrophobicContact CD2-CG 4.44Å; L121-L123 HydrophobicContact CG-CD1 4Å; L121-L123 HydrophobicContact CG-CD2 4.18Å; L121-L123 HydrophobicContact CG-CG 3.87Å; L123-N126 PolarHBondContact O-ND2 3.48Å; L123-L128 HydrophobicContact CB-CD1 3.89Å; L123-L128 HydrophobicContact CD1-CD1 3.92Å; L123-L128 HydrophobicContact CD2-CD1 4.31Å; L123-L128 HydrophobicContact CG-CD1 4.26Å; L123-L131 HydrophobicContact CD1-CD2 3.68Å; L123-D145 CarbonylContact C-O 3.17Å; L123-D145 WeakPolarHBondContact CA-O 3.41Å; L123-D145 WeakPolarHBondContact CB-O 3.49Å; L123-D145 PolarHBondContact N-O 3.36Å; L123-A146 HydrophobicContact CB-CB 4.05Å; L123-A146 HydrophobicContact CD1-CB 4.17Å; L123-N149 PolarHBondContact O-ND2 2.86Å
124S96.7Very high95.3Very high10 Ų1042.5 Ų42.57%0.0723%0.225CC..  trans-58.9148.4-172.257.80000112.8S101 R102 N122 N126 D145 S147S101-S124 CarbonylContact C-O 3.47Å; S101-S124 WeakPolarHBondContact CA-O 3.34Å; S101-S124 VanDerWaalsContact CB-O 3.27Å; S101-S124 WeakPolarHBondContact CB-O 3.48Å; S101-S124 WeakPolarHBondContact CB-OG 3.12Å; R102-S124 PolarHBondContact N-O 3.03Å; N122-S124 WeakPolarHBondContact OD1-CB 3.42Å; N122-S124 PolarHBondContact OD1-N 3.22Å; N122-S124 VanDerWaalsContact OD1-N 3.11Å; N122-S124 PolarHBondContact OD1-OG 3.3Å; S124-N126 PolarHBondContact O-ND2 3.02Å; S124-D145 PolarHBondContact N-O 3.37Å; S124-S147 CarbonylContact C-O 2.99Å; S124-S147 WeakPolarHBondContact CA-O 3.4Å; S124-S147 WeakPolarHBondContact CB-OG 3.43Å
125N96.8Very high95.3Very high58 Ų5836.4 Ų36.431%0.3120%0.196SC..SBendtrans56.355.5179.9-61.2109.1000113.3R102 N103 S147 H148R102-N125 WeakPolarHBondContact CA-O 3.34Å; R102-N125 HydrophobicContact CB-CB 4.37Å; R102-N125 HydrophobicContact CG-CB 3.73Å; R102-N125 PolarHBondContact N-O 2.95Å; N103-N125 PolarHBondContact N-O 3.16Å; N125-S147 PolarHBondContact N-O 2.88Å; N125-H148 VanDerWaalsContact CA-O 3.3Å; N125-H148 WeakPolarHBondContact CA-O 3.36Å; N125-H148 HydrophobicContact CB-CB 4.49Å; N125-H148 PolarHBondContact N-O 2.93Å; N125-H148 WeakPolarHBondContact ND2-CB 3.44Å
126N97.4Very high95.2Very high11 Ų1139 Ų396%0.05921%0.21CC..SBendtrans-123.3-164.3171-84.2-75.6000109.6V100 N103 A104 L105 L123 S124 L128 H148 N149V100-N126 PolarHBondContact O-ND2 3.05Å; N103-N126 VanDerWaalsContact CA-OD1 3.28Å; N103-N126 WeakPolarHBondContact CA-OD1 3.25Å; N103-N126 WeakPolarHBondContact CB-OD1 3.3Å; N103-N126 PolarHBondContact N-OD1 3.19Å; N103-N126 PolarHBondContact O-OD1 3.3Å; A104-N126 PolarHBondContact N-OD1 2.86Å; L105-N126 HydrophobicContact CB-CB 4.22Å; L105-N126 WeakPolarHBondContact CB-OD1 3.36Å; L105-N126 WeakPolarHBondContact CG-OD1 3.5Å; L105-N126 PolarHBondContact N-OD1 3.42Å; L123-N126 PolarHBondContact O-ND2 3.48Å; S124-N126 PolarHBondContact O-ND2 3.02Å; N126-L128 HydrophobicContact CB-CG 4.17Å; N126-H148 PolarHBondContact N-O 2.53Å; N126-H148 VanDerWaalsContact O-O 3.11Å; N126-N149 VanDerWaalsContact CA-OD1 3.29Å; N126-N149 WeakPolarHBondContact CA-OD1 3.23Å; N126-N149 WeakPolarHBondContact CB-OD1 3.21Å; N126-N149 PolarHBondContact N-OD1 3.25Å; N126-N149 PolarHBondContact O-OD1 3.19Å
127R97Very high95.2Very high151 Ų15142.2 Ų42.257%0.5722%0.222SC*.  trans-121.831.3176.8-56.4-177.1-170.5-169.92.7111.3L105 T106 T129 N149L105-R127 CarbonylContact O-C 3.57Å; L105-R127 VanDerWaalsContact O-CA 3.3Å; L105-R127 WeakPolarHBondContact O-CA 3.44Å; L105-R127 PolarHBondContact O-N 2.83Å; T106-R127 HydrophobicContact CG2-CB 4.39Å; R127-T129 PolarHBondContact O-N 3.43Å; R127-N149 PolarHBondContact N-OD1 3.08Å
128L97.3Very high95.3Very high0 Ų038.8 Ų38.80%021%0.206CC..  trans-65.4126-176.3-64.3173.6000109.9L105 T106 L108 L123 N126 N149 E150 L151L105-L128 HydrophobicContact CB-CD2 3.95Å; L105-L128 PolarHBondContact O-N 3.09Å; L105-L128 VanDerWaalsContact O-N 3.14Å; T106-L128 WeakPolarHBondContact O-CA 3.31Å; L108-L128 HydrophobicContact CD1-CD1 4.23Å; L108-L128 HydrophobicContact CD2-CD2 4.34Å; L108-L128 HydrophobicContact CG-CD1 4.23Å; L108-L128 HydrophobicContact CG-CD2 3.95Å; L123-L128 HydrophobicContact CB-CD1 3.89Å; L123-L128 HydrophobicContact CD1-CD1 3.92Å; L123-L128 HydrophobicContact CD2-CD1 4.31Å; L123-L128 HydrophobicContact CG-CD1 4.26Å; N126-L128 HydrophobicContact CB-CG 4.17Å; L128-N149 HydrophobicContact CB-CB 4.27Å; L128-N149 VanDerWaalsContact CB-OD1 3.29Å; L128-N149 WeakPolarHBondContact CB-OD1 3.2Å; L128-N149 WeakPolarHBondContact CG-OD1 3.29Å; L128-N149 PolarHBondContact N-OD1 3.47Å; L128-E150 CarbonylContact O-C 3.51Å; L128-E150 VanDerWaalsContact O-CA 3.31Å; L128-E150 WeakPolarHBondContact O-CA 3.3Å; L128-E150 PolarHBondContact O-N 3.31Å; L128-L151 HydrophobicContact CB-CD2 4.01Å; L128-L151 PolarHBondContact O-N 2.99Å
129T95.8Very high95Very high70 Ų7041.4 Ų41.443%0.42922%0.222SC..SBendtrans-91.3-23.9178.158.30000112.9T106 R127 E150 K152T106-T129 PolarHBondContact O-N 3.49Å; R127-T129 PolarHBondContact O-N 3.43Å; T129-E150 HydrophobicContact CG2-CB 4.42Å; T129-K152 PolarHBondContact O-N 3.25Å
130A96Very high94.8Very high51 Ų5144.6 Ų44.642%0.42123%0.232SC..  trans-149156.4175.300000111L151A130-L151 VanDerWaalsContact C-CD2 3.48Å
131L95.4Very high94.8Very high12 Ų1243 Ų436%0.06322%0.223CC..PPolyproline II helixtrans-93150.4165-67.8177.1000109L108 L123 M135 A146 L151 P155 L158L108-L131 HydrophobicContact CD1-CD2 4.34Å; L123-L131 HydrophobicContact CD1-CD2 3.68Å; L131-M135 HydrophobicContact CB-SD 4.15Å; L131-M135 HydrophobicContact CD1-SD 4.37Å; L131-A146 HydrophobicContact CD2-CB 4.38Å; L131-L151 HydrophobicContact CD1-CD1 4.22Å; L131-L151 HydrophobicContact CD2-CD1 4.36Å; L131-L151 HydrophobicContact CD2-CD2 4.31Å; L131-L151 HydrophobicContact CG-CD1 4.03Å; L131-L151 HydrophobicContact CG-CD2 3.97Å; L131-P155 HydrophobicContact CB-CG 3.89Å; L131-L158 HydrophobicContact CD1-CD2 3.89Å
132P93.6Very high94.7Very high17 Ų1745 Ų4511%0.1123%0.233CC..PPolyproline II helixtrans-64.9145.1-176.727.2-35.3000111.6L108 I112 V113 M135L108-P132 HydrophobicContact CB-CG 4.47Å; L108-P132 HydrophobicContact CD1-CG 4.46Å; I112-P132 HydrophobicContact CG2-CB 4.36Å; I112-P132 HydrophobicContact CG2-CG 3.69Å; V113-P132 HydrophobicContact CG1-CB 4.06Å; V113-P132 HydrophobicContact CG1-CG 4.06Å; P132-M135 HydrophobicContact CG-CG 4.21Å; P132-M135 WeakPolarHBondContact O-CG 3.42Å
133E90Very high94.6Very high174 Ų17445.6 Ų45.681%0.81324%0.235SC*.THydrogen-bonded Turntrans-71147.9167.2-63.4-169.5168.900109.9
134G91.1Very high94.6Very high17 Ų1745.6 Ų45.618%0.17524%0.235CC..THydrogen-bonded Turntrans96.28.2178.300000115.5N136 N137 S157G134-N136 VanDerWaalsContact C-OD1 3.23Å; G134-N136 VanDerWaalsContact CA-OD1 3.26Å; G134-N136 WeakPolarHBondContact CA-OD1 3.48Å; G134-N136 PolarHBondContact O-N 3.08Å; G134-N136 PolarHBondContact O-OD1 2.98Å; G134-N137 WeakPolarHBondContact O-CB 3.41Å; G134-N137 PolarHBondContact O-N 2.79Å; G134-N137 PolarHBondContact O-ND2 3.41Å; G134-S157 PolarHBondContact N-OG 3.02Å
135M93.6Very high94.7Very high1 Ų146.2 Ų46.21%0.00524%0.238CC..G310 helixtrans-57.1-15.3176-67-175.28100114.2V113 L121 L131 P132 N137 M138 L141 P155 S157 L158V113-M135 HydrophobicContact CG1-CG 4.44Å; L121-M135 HydrophobicContact CD2-CE 4.22Å; L131-M135 HydrophobicContact CB-SD 4.15Å; L131-M135 HydrophobicContact CD1-SD 4.37Å; P132-M135 HydrophobicContact CG-CG 4.21Å; P132-M135 WeakPolarHBondContact O-CG 3.42Å; M135-N137 PolarHBondContact O-N 2.85Å; M135-M138 HydrophobicContact CE-SD 4.49Å; M135-M138 HydrophobicContact CG-SD 4.42Å; M135-M138 PolarHBondContact O-N 3.13Å; M135-M138 VanDerWaalsContact O-N 3.08Å; M135-L141 HydrophobicContact CE-CD1 4.15Å; M135-P155 HydrophobicContact SD-CG 4.36Å; M135-S157 PolarHBondContact N-OG 3.41Å; M135-L158 HydrophobicContact CB-CD1 4.47Å; M135-L158 HydrophobicContact CE-CD1 3.72Å; M135-L158 HydrophobicContact SD-CB 4.15Å; M135-L158 HydrophobicContact SD-CD1 3.97Å; M135-L158 HydrophobicContact SD-CD2 4.23Å; M135-L158 HydrophobicContact SD-CG 4.35Å
136N90.7Very high94.7Very high56 Ų5643.5 Ų43.530%0.29922%0.223SC..G310 helixtrans-62-17.5171.959.9-69.1000113.5G134 M138 S157G134-N136 VanDerWaalsContact C-OD1 3.23Å; G134-N136 VanDerWaalsContact CA-OD1 3.26Å; G134-N136 WeakPolarHBondContact CA-OD1 3.48Å; G134-N136 PolarHBondContact O-N 3.08Å; G134-N136 PolarHBondContact O-OD1 2.98Å; N136-M138 VanDerWaalsContact C-N 3.31Å; N136-S157 PolarHBondContact N-O 3.38Å; N136-S157 WeakPolarHBondContact OD1-CB 3.47Å
137N91.9Very high94.7Very high91 Ų9143.5 Ų43.549%0.48722%0.224SC..G310 helixtrans-74.2-21.6174.1-67.4-22.3000113V113 G134 M135 T139V113-N137 WeakPolarHBondContact O-CB 3.01Å; G134-N137 WeakPolarHBondContact O-CB 3.41Å; G134-N137 PolarHBondContact O-N 2.79Å; G134-N137 PolarHBondContact O-ND2 3.41Å; M135-N137 PolarHBondContact O-N 2.85Å; N137-T139 PolarHBondContact O-N 3.03Å
138M93.8Very high94.7Very high1 Ų139.2 Ų39.21%0.00521%0.21CC..  trans-86.761.3-178.4-53.5167.573.200109.8L118 L121 M135 N136 W140 L141 L163L118-M138 HydrophobicContact CB-CE 3.8Å; L118-M138 HydrophobicContact CD2-CE 3.27Å; L118-M138 HydrophobicContact CG-CE 4.12Å; L121-M138 HydrophobicContact CD2-CE 4.38Å; M135-M138 HydrophobicContact CE-SD 4.49Å; M135-M138 HydrophobicContact CG-SD 4.42Å; M135-M138 PolarHBondContact O-N 3.13Å; M135-M138 VanDerWaalsContact O-N 3.08Å; N136-M138 VanDerWaalsContact C-N 3.31Å; M138-W140 PolarHBondContact O-N 3.26Å; M138-L141 HydrophobicContact CB-CD1 3.56Å; M138-L141 HydrophobicContact CB-CG 3.69Å; M138-L141 HydrophobicContact CE-CD1 3.97Å; M138-L141 HydrophobicContact CE-CD2 3.97Å; M138-L141 HydrophobicContact CE-CG 4.12Å; M138-L141 HydrophobicContact CG-CD1 4.37Å; M138-L141 WeakPolarHBondContact O-CB 3.06Å; M138-L141 WeakPolarHBondContact O-CG 3.15Å; M138-L141 PolarHBondContact O-N 2.97Å; M138-L141 HydrophobicContact SD-CD1 3.93Å; M138-L163 VanDerWaalsContact O-CD2 3.26Å; M138-L163 WeakPolarHBondContact O-CD2 3.41Å
139T91.3Very high94.7Very high56 Ų5639.6 Ų39.634%0.34421%0.212SC..THydrogen-bonded Turntrans-60.7-17.5-16958.70000114.4N137N137-T139 PolarHBondContact O-N 3.03Å
140W93.7Very high94.8Very high104 Ų10440.2 Ų40.239%0.39421%0.21SC..THydrogen-bonded Turntrans-91.8-0.3179.5-70.693.8000114.4L118 Q119 M138 I142 H165L118-W140 CarbonylContact O-C 3.55Å; Q119-W140 WeakPolarHBondContact CA-O 3.36Å; Q119-W140 HydrophobicContact CG-CB 4.41Å; M138-W140 PolarHBondContact O-N 3.26Å; W140-I142 WeakPolarHBondContact O-CG1 3.33Å; W140-I142 PolarHBondContact O-N 2.98Å; W140-H165 AromaticContact CZ3-NE2 4Å
141L95.5Very high94.8Very high0 Ų037.8 Ų37.80%019%0.19CC..  trans-57.3131.8178.1-81.6174.3000111.4L118 L121 M135 M138 V144 H165 F166L118-L141 HydrophobicContact CD2-CD2 4.37Å; L118-L141 HydrophobicContact CG-CD2 4.47Å; L118-L141 WeakPolarHBondContact O-CA 3.36Å; L118-L141 PolarHBondContact O-N 2.99Å; L118-L141 VanDerWaalsContact O-N 3.1Å; L121-L141 HydrophobicContact CB-CD2 4.3Å; M135-L141 HydrophobicContact CE-CD1 4.15Å; M138-L141 HydrophobicContact CB-CD1 3.56Å; M138-L141 HydrophobicContact CB-CG 3.69Å; M138-L141 HydrophobicContact CE-CD1 3.97Å; M138-L141 HydrophobicContact CE-CD2 3.97Å; M138-L141 HydrophobicContact CE-CG 4.12Å; M138-L141 HydrophobicContact CG-CD1 4.37Å; M138-L141 WeakPolarHBondContact O-CB 3.06Å; M138-L141 WeakPolarHBondContact O-CG 3.15Å; M138-L141 PolarHBondContact O-N 2.97Å; M138-L141 HydrophobicContact SD-CD1 3.93Å; L141-V144 HydrophobicContact CD1-CG2 4.23Å; L141-V144 HydrophobicContact CD2-CG2 4.07Å; L141-H165 CarbonylContact O-C 3.5Å; L141-F166 HydrophobicContact CB-CD2 4.33Å; L141-F166 WeakPolarHBondContact O-CA 3.44Å; L141-F166 PolarHBondContact O-N 3.32Å
142I95.4Very high94.8Very high43 Ų4343.1 Ų43.122%0.22121%0.213CC..  trans-116.7-44.5179-60.3179.6000109.8Q119 W140 H165 F166 T167 E168Q119-I142 HydrophobicContact CB-CD1 4.12Å; Q119-I142 HydrophobicContact CB-CG1 4.28Å; Q119-I142 HydrophobicContact CG-CD1 4.44Å; Q119-I142 WeakPolarHBondContact O-CA 3.39Å; Q119-I142 WeakPolarHBondContact O-CB 3.32Å; Q119-I142 PolarHBondContact O-N 2.99Å; W140-I142 WeakPolarHBondContact O-CG1 3.33Å; W140-I142 PolarHBondContact O-N 2.98Å; I142-H165 HydrophobicContact CG1-CB 4.18Å; I142-F166 WeakPolarHBondContact O-CD2 3.35Å; I142-T167 VanDerWaalsContact CG2-OG1 3.23Å; I142-T167 WeakPolarHBondContact CG2-OG1 3.31Å; I142-T167 PolarHBondContact O-N 3.35Å; I142-T167 PolarHBondContact O-OG1 3.19Å; I142-T167 VanDerWaalsContact O-OG1 3.05Å; I142-E168 PolarHBondContact O-N 2.89Å
143H96.4Very high94.9Very high34 Ų3445.7 Ų45.716%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-136.6127.9-172.1179.498.2000110.8Q119 T120 L121 E168Q119-H143 PolarHBondContact O-N 3.17Å; T120-H143 WeakPolarHBondContact CA-O 3.45Å; T120-H143 HydrophobicContact CG2-CB 4.28Å; L121-H143 PolarHBondContact N-O 3.17Å; H143-E168 WeakPolarHBondContact CA-O 3.33Å; H143-E168 HydrophobicContact CB-CB 4.43Å; H143-E168 IonicContact CE1-OE2 3.9Å; H143-E168 IonicContact CG-OE2 3.64Å; H143-E168 IonicContact ND1-OE2 3.58Å; H143-E168 PolarHBondContact ND1-OE2 2.95Å
144V97.4Very high95.1Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-129.1119.5171.5176.40000108.3L121 L141 F166 E168 L169 I170L121-V144 HydrophobicContact CB-CG2 4.34Å; L121-V144 WeakPolarHBondContact O-CA 3.36Å; L141-V144 HydrophobicContact CD1-CG2 4.23Å; L141-V144 HydrophobicContact CD2-CG2 4.07Å; V144-F166 HydrophobicContact CB-CE2 3.91Å; V144-F166 HydrophobicContact CB-CZ 4.01Å; V144-F166 HydrophobicContact CG2-CE2 3.61Å; V144-F166 HydrophobicContact CG2-CZ 3.93Å; V144-E168 PolarHBondContact N-O 2.89Å; V144-L169 HydrophobicContact CB-CD1 4.19Å; V144-L169 HydrophobicContact CG1-CD1 4.23Å; V144-L169 WeakPolarHBondContact O-CA 3.24Å; V144-I170 PolarHBondContact O-N 3.18Å
145D97.8Very high95.3Very high24 Ų2438 Ų3813%0.12819%0.193CC..EExtended strand (participates in β ladder)trans-113.5112169.7-173.4-9.7000109L121 L123 S124 S147 I170L121-D145 PolarHBondContact O-N 3.17Å; L123-D145 CarbonylContact C-O 3.17Å; L123-D145 WeakPolarHBondContact CA-O 3.41Å; L123-D145 WeakPolarHBondContact CB-O 3.49Å; L123-D145 PolarHBondContact N-O 3.36Å; S124-D145 PolarHBondContact N-O 3.37Å; D145-S147 WeakPolarHBondContact OD1-CB 3.4Å; D145-S147 PolarHBondContact OD1-N 2.87Å; D145-S147 PolarHBondContact OD1-OG 3.28Å; D145-I170 HydrophobicContact CB-CB 4.2Å; D145-I170 HydrophobicContact CB-CD1 4.48Å
146A97.6Very high95.2Very high0 Ų044.9 Ų44.90%023%0.225CC..  trans-12333.9170.400000110.8L123 L131 N149 L151 I170 L171 N174L123-A146 HydrophobicContact CB-CB 4.05Å; L123-A146 HydrophobicContact CD1-CB 4.17Å; L131-A146 HydrophobicContact CD2-CB 4.38Å; A146-N149 PolarHBondContact O-ND2 3.35Å; A146-N149 VanDerWaalsContact O-ND2 3.09Å; A146-L151 HydrophobicContact CB-CD1 3.84Å; A146-I170 PolarHBondContact N-O 3.13Å; A146-L171 HydrophobicContact CB-CD2 3.94Å; A146-N174 PolarHBondContact O-ND2 2.94Å
147S96.9Very high95.3Very high11 Ų1143.2 Ų43.28%0.07722%0.217CC..  trans-62.3154.6175.259.80000112.6S124 N125 D145 N149 I170 K172S124-S147 CarbonylContact C-O 2.99Å; S124-S147 WeakPolarHBondContact CA-O 3.4Å; S124-S147 WeakPolarHBondContact CB-OG 3.43Å; N125-S147 PolarHBondContact N-O 2.88Å; D145-S147 WeakPolarHBondContact OD1-CB 3.4Å; D145-S147 PolarHBondContact OD1-N 2.87Å; D145-S147 PolarHBondContact OD1-OG 3.28Å; S147-N149 PolarHBondContact O-ND2 2.85Å; S147-I170 PolarHBondContact N-O 3.28Å; S147-K172 CarbonylContact C-O 3.54Å; S147-K172 WeakPolarHBondContact CA-O 3.37Å; S147-K172 WeakPolarHBondContact CB-O 3.4Å
148H97.1Very high95.4Very high62 Ų6238.9 Ų38.929%0.28719%0.194SC..SBendtrans54.656.3180-61.6-82000112.4N125 N126 K172 H173N125-H148 VanDerWaalsContact CA-O 3.3Å; N125-H148 WeakPolarHBondContact CA-O 3.36Å; N125-H148 HydrophobicContact CB-CB 4.49Å; N125-H148 PolarHBondContact N-O 2.93Å; N125-H148 WeakPolarHBondContact ND2-CB 3.44Å; N126-H148 PolarHBondContact N-O 2.53Å; N126-H148 VanDerWaalsContact O-O 3.11Å; H148-K172 PolarHBondContact N-O 2.9Å; H148-H173 VanDerWaalsContact CA-O 3.26Å; H148-H173 WeakPolarHBondContact CA-O 3.32Å; H148-H173 AromaticContact CE1-CD2 3.86Å; H148-H173 AromaticContact CE1-CG 3.76Å; H148-H173 PolarHBondContact N-O 3.29Å; H148-H173 WeakPolarHBondContact ND1-CB 3.13Å; H148-H173 AromaticContact ND1-CD2 3.74Å; H148-H173 AromaticContact ND1-CG 3.36Å; H148-H173 AromaticContact ND1-ND1 3.74Å
149N97.7Very high95.3Very high8 Ų838.8 Ų38.84%0.04319%0.194CC..SBendtrans-129.3-170173.5-83.8-79.3000109.6L123 N126 R127 L128 A146 S147 L151 H173 N174L123-N149 PolarHBondContact O-ND2 2.86Å; N126-N149 VanDerWaalsContact CA-OD1 3.29Å; N126-N149 WeakPolarHBondContact CA-OD1 3.23Å; N126-N149 WeakPolarHBondContact CB-OD1 3.21Å; N126-N149 PolarHBondContact N-OD1 3.25Å; N126-N149 PolarHBondContact O-OD1 3.19Å; R127-N149 PolarHBondContact N-OD1 3.08Å; L128-N149 HydrophobicContact CB-CB 4.27Å; L128-N149 VanDerWaalsContact CB-OD1 3.29Å; L128-N149 WeakPolarHBondContact CB-OD1 3.2Å; L128-N149 WeakPolarHBondContact CG-OD1 3.29Å; L128-N149 PolarHBondContact N-OD1 3.47Å; A146-N149 PolarHBondContact O-ND2 3.35Å; A146-N149 VanDerWaalsContact O-ND2 3.09Å; S147-N149 PolarHBondContact O-ND2 2.85Å; N149-L151 HydrophobicContact CB-CG 4.08Å; N149-H173 PolarHBondContact N-O 3.46Å; N149-N174 VanDerWaalsContact CA-OD1 3.31Å; N149-N174 WeakPolarHBondContact CA-OD1 3.19Å; N149-N174 WeakPolarHBondContact CB-OD1 3.21Å; N149-N174 PolarHBondContact N-OD1 3.27Å; N149-N174 PolarHBondContact O-OD1 3.19Å
150E97.1Very high95.3Very high82 Ų8237.3 Ų37.338%0.38319%0.186SC..  trans-113.729.4-179.9-60.7179.9-157.700111.5L128 T129 K152 N174L128-E150 CarbonylContact O-C 3.51Å; L128-E150 VanDerWaalsContact O-CA 3.31Å; L128-E150 WeakPolarHBondContact O-CA 3.3Å; L128-E150 PolarHBondContact O-N 3.31Å; T129-E150 HydrophobicContact CG2-CB 4.42Å; E150-K152 PolarHBondContact O-N 3.41Å; E150-N174 PolarHBondContact N-OD1 2.9Å
151L97.1Very high95.1Very high1 Ų136 Ų361%0.00519%0.193CC..  trans-66.7125.7-174.6-60.7174.5000111.2L128 A130 L131 A146 N149 L171 N174 Q175 I176L128-L151 HydrophobicContact CB-CD2 4.01Å; L128-L151 PolarHBondContact O-N 2.99Å; A130-L151 VanDerWaalsContact C-CD2 3.48Å; L131-L151 HydrophobicContact CD1-CD1 4.22Å; L131-L151 HydrophobicContact CD2-CD1 4.36Å; L131-L151 HydrophobicContact CD2-CD2 4.31Å; L131-L151 HydrophobicContact CG-CD1 4.03Å; L131-L151 HydrophobicContact CG-CD2 3.97Å; A146-L151 HydrophobicContact CB-CD1 3.84Å; N149-L151 HydrophobicContact CB-CG 4.08Å; L151-L171 HydrophobicContact CD1-CD2 3.81Å; L151-N174 HydrophobicContact CB-CB 4.2Å; L151-N174 VanDerWaalsContact CB-OD1 3.26Å; L151-N174 WeakPolarHBondContact CB-OD1 3.44Å; L151-N174 VanDerWaalsContact CG-OD1 3.28Å; L151-N174 WeakPolarHBondContact CG-OD1 3.29Å; L151-N174 PolarHBondContact N-OD1 3.13Å; L151-Q175 CarbonylContact O-C 3.41Å; L151-Q175 VanDerWaalsContact O-CA 3.25Å; L151-Q175 WeakPolarHBondContact O-CA 3.49Å; L151-Q175 PolarHBondContact O-N 3.36Å; L151-I176 HydrophobicContact CB-CG1 4.38Å; L151-I176 WeakPolarHBondContact O-CG1 3.33Å; L151-I176 PolarHBondContact O-N 2.94Å; L151-I176 VanDerWaalsContact O-N 3.09Å
152K94.9Very high94.8Very high123 Ų12337.8 Ų37.854%0.53521%0.207SC..  trans-90-24.9179.3-64-178.8-178.5175.70114.4T129 E150 Q175 I176 E177T129-K152 PolarHBondContact O-N 3.25Å; E150-K152 PolarHBondContact O-N 3.41Å; K152-Q175 HydrophobicContact CG-CB 4.5Å; K152-I176 WeakPolarHBondContact O-CA 3.42Å; K152-E177 PolarHBondContact O-N 2.94Å
153S95.3Very high94.6Very high72 Ų7235.9 Ų35.950%0.50320%0.198SC..  trans-153.1158.3-176.5560000111.5
154I95.3Very high94.3Very high11 Ų1137.4 Ų37.46%0.05621%0.209CC..  trans-93.7123.6171.2-53.1175.4000107.5L158 L171 I176 L179 P180 L194I154-L158 HydrophobicContact CG2-CB 4.43Å; I154-L158 HydrophobicContact CG2-CD2 4.18Å; I154-L171 HydrophobicContact CD1-CD1 3.65Å; I154-L171 HydrophobicContact CG1-CD1 3.76Å; I154-I176 HydrophobicContact CD1-CD1 4.45Å; I154-I176 HydrophobicContact CG1-CD1 4Å; I154-I176 HydrophobicContact CG1-CG2 4.24Å; I154-L179 HydrophobicContact CD1-CG 4.38Å; I154-P180 HydrophobicContact CB-CG 4.43Å; I154-L194 HydrophobicContact CD1-CD2 4.06Å
155P94.1Very high94Very high19 Ų1941.2 Ų41.212%0.12323%0.227CC..  trans-66.2138.3178.528.2-34.4000110.4L131 M135 S157 L158L131-P155 HydrophobicContact CB-CG 3.89Å; M135-P155 HydrophobicContact SD-CG 4.36Å; P155-S157 PolarHBondContact O-N 3.43Å; P155-S157 VanDerWaalsContact O-N 3.13Å; P155-L158 HydrophobicContact CG-CB 4.01Å; P155-L158 WeakPolarHBondContact O-CB 3.29Å; P155-L158 PolarHBondContact O-N 2.7Å
156E92.6Very high93.8Very high145 Ų14540.1 Ų40.168%0.67822%0.221SC*.G310 helixtrans-59-28.3179.9-68.5-168.1170.500112.3L158 C159 P180E156-L158 VanDerWaalsContact C-N 3.25Å; E156-L158 PolarHBondContact O-N 3.24Å; E156-C159 CarbonylContact O-C 3.47Å; E156-C159 WeakPolarHBondContact O-CA 3.38Å; E156-C159 PolarHBondContact O-N 3.05Å; E156-P180 HydrophobicContact CG-CB 4.04Å
157S92.9Very high93.6Very high20 Ų2040.9 Ų40.914%0.1423%0.226CC..G310 helixtrans-61.7-28.317554.80000113.9G134 M135 N136 P155 C159 S160G134-S157 PolarHBondContact N-OG 3.02Å; M135-S157 PolarHBondContact N-OG 3.41Å; N136-S157 PolarHBondContact N-O 3.38Å; N136-S157 WeakPolarHBondContact OD1-CB 3.47Å; P155-S157 PolarHBondContact O-N 3.43Å; P155-S157 VanDerWaalsContact O-N 3.13Å; S157-C159 PolarHBondContact O-N 2.96Å; S157-S160 WeakPolarHBondContact O-CB 3.45Å
158L93.6Very high93.6Very high0 Ų043.7 Ų43.70%024%0.238CC..G310 helixtrans-76.9-13174.2-174.258.2000112.2L131 M135 I154 P155 E156 L163 F166 L169L131-L158 HydrophobicContact CD1-CD2 3.89Å; M135-L158 HydrophobicContact CB-CD1 4.47Å; M135-L158 HydrophobicContact CE-CD1 3.72Å; M135-L158 HydrophobicContact SD-CB 4.15Å; M135-L158 HydrophobicContact SD-CD1 3.97Å; M135-L158 HydrophobicContact SD-CD2 4.23Å; M135-L158 HydrophobicContact SD-CG 4.35Å; I154-L158 HydrophobicContact CG2-CB 4.43Å; I154-L158 HydrophobicContact CG2-CD2 4.18Å; P155-L158 HydrophobicContact CG-CB 4.01Å; P155-L158 WeakPolarHBondContact O-CB 3.29Å; P155-L158 PolarHBondContact O-N 2.7Å; E156-L158 VanDerWaalsContact C-N 3.25Å; E156-L158 PolarHBondContact O-N 3.24Å; L158-L163 HydrophobicContact CD1-CD1 4.13Å; L158-L163 WeakPolarHBondContact O-CD1 3.25Å; L158-F166 HydrophobicContact CD1-CE1 3.77Å; L158-F166 HydrophobicContact CD1-CZ 3.91Å; L158-F166 HydrophobicContact CG-CE1 4.14Å; L158-F166 HydrophobicContact CG-CZ 4.48Å; L158-L169 HydrophobicContact CD2-CD1 4.05Å; L158-L169 HydrophobicContact CD2-CD2 4.35Å
159C91.5Very high93.7Very high0 Ų040.8 Ų40.80%022%0.224CC..G310 helixtrans-106.325.1177.7-59.90000112.1E156 S157 P180 A182 Q185E156-C159 CarbonylContact O-C 3.47Å; E156-C159 WeakPolarHBondContact O-CA 3.38Å; E156-C159 PolarHBondContact O-N 3.05Å; S157-C159 PolarHBondContact O-N 2.96Å; C159-P180 HydrophobicContact CB-CG 4.27Å; C159-P180 VanDerWaalsContact SG-CG 3.52Å; C159-A182 HydrophobicContact CB-CB 3.73Å; C159-Q185 PolarHBondContact O-OE1 3.35Å
160S91.3Very high93.7Very high24 Ų2442 Ų4217%0.16823%0.23CC..  trans-81.1143.7-178-178.70000112.7S157 A162 L163S157-S160 WeakPolarHBondContact O-CB 3.45Å; S160-A162 PolarHBondContact O-N 2.84Å; S160-A162 VanDerWaalsContact O-N 3.08Å; S160-A162 PolarHBondContact OG-N 3.5Å; S160-L163 PolarHBondContact O-N 3.49Å; S160-L163 VanDerWaalsContact O-N 3.16Å
161S89Confident93.7Very high78 Ų7838.1 Ų38.155%0.54521%0.212SC..THydrogen-bonded Turntrans-59.9-14.617062.80000114.5L163S161-L163 PolarHBondContact O-N 3.42Å
162A90.9Very high93.6Very high37 Ų3741.1 Ų41.131%0.30623%0.225SC..THydrogen-bonded Turntrans-68-22.8175.800000113.2S160 T164S160-A162 PolarHBondContact O-N 2.84Å; S160-A162 VanDerWaalsContact O-N 3.08Å; S160-A162 PolarHBondContact OG-N 3.5Å; A162-T164 PolarHBondContact O-N 3.42Å
163L91Very high93.7Very high3 Ų339.3 Ų39.32%0.01622%0.219CC..  trans-83.463.3-177.7-60.9-178.6000111.5M138 L158 S160 S161 H165 F166 L186M138-L163 VanDerWaalsContact O-CD2 3.26Å; M138-L163 WeakPolarHBondContact O-CD2 3.41Å; L158-L163 HydrophobicContact CD1-CD1 4.13Å; L158-L163 WeakPolarHBondContact O-CD1 3.25Å; S160-L163 PolarHBondContact O-N 3.49Å; S160-L163 VanDerWaalsContact O-N 3.16Å; S161-L163 PolarHBondContact O-N 3.42Å; L163-H165 PolarHBondContact O-N 2.91Å; L163-F166 HydrophobicContact CB-CB 3.85Å; L163-F166 HydrophobicContact CD1-CD1 4.19Å; L163-F166 PolarHBondContact O-N 3.38Å; L163-L186 HydrophobicContact CB-CD2 4.31Å
164T88.8Confident93.8Very high66 Ų6636.4 Ų36.441%0.40520%0.197SC..THydrogen-bonded Turntrans-66.5-20.3-172.554.80000114A162 S188A162-T164 PolarHBondContact O-N 3.42Å; T164-S188 WeakPolarHBondContact O-CB 3.45Å; T164-S188 PolarHBondContact O-OG 3.28Å
165H90.6Very high93.9Very high80 Ų8039.9 Ų39.937%0.3721%0.213SC..THydrogen-bonded Turntrans-98.1-7.4-179-63.8-69.9000114W140 L141 I142 L163 T167W140-H165 AromaticContact CZ3-NE2 4Å; L141-H165 CarbonylContact O-C 3.5Å; I142-H165 HydrophobicContact CG1-CB 4.18Å; L163-H165 PolarHBondContact O-N 2.91Å; H165-T167 WeakPolarHBondContact O-CG2 3.35Å; H165-T167 PolarHBondContact O-N 2.95Å
166F95.2Very high94Very high0 Ų039 Ų390%021%0.207CC..  trans-73.9116.9-170-169.4-141.3000111.5L141 I142 V144 L158 L163 E168 L169 L186 S188 L189L141-F166 HydrophobicContact CB-CD2 4.33Å; L141-F166 WeakPolarHBondContact O-CA 3.44Å; L141-F166 PolarHBondContact O-N 3.32Å; I142-F166 WeakPolarHBondContact O-CD2 3.35Å; V144-F166 HydrophobicContact CB-CE2 3.91Å; V144-F166 HydrophobicContact CB-CZ 4.01Å; V144-F166 HydrophobicContact CG2-CE2 3.61Å; V144-F166 HydrophobicContact CG2-CZ 3.93Å; L158-F166 HydrophobicContact CD1-CE1 3.77Å; L158-F166 HydrophobicContact CD1-CZ 3.91Å; L158-F166 HydrophobicContact CG-CE1 4.14Å; L158-F166 HydrophobicContact CG-CZ 4.48Å; L163-F166 HydrophobicContact CB-CB 3.85Å; L163-F166 HydrophobicContact CD1-CD1 4.19Å; L163-F166 PolarHBondContact O-N 3.38Å; F166-E168 WeakPolarHBondContact CE2-O 3.41Å; F166-L169 HydrophobicContact CE1-CB 4.17Å; F166-L169 HydrophobicContact CE1-CD2 4.3Å; F166-L169 HydrophobicContact CZ-CB 3.75Å; F166-L169 HydrophobicContact CZ-CD1 4.01Å; F166-L169 HydrophobicContact CZ-CD2 4.4Å; F166-L169 HydrophobicContact CZ-CG 4.25Å; F166-L186 HydrophobicContact CD1-CD1 3.98Å; F166-L186 HydrophobicContact CD1-CD2 4.06Å; F166-L186 HydrophobicContact CE1-CD1 4.13Å; F166-S188 CarbonylContact O-C 3.56Å; F166-S188 WeakPolarHBondContact O-CB 3.46Å; F166-L189 WeakPolarHBondContact O-CA 3.47Å; F166-L189 PolarHBondContact O-N 2.56Å; F166-L189 VanDerWaalsContact O-N 3.15Å
167T93.9Very high94Very high16 Ų1637.5 Ų37.510%0.09820%0.201CC..  trans-117.8-28.6-170.950.10000114.2I142 H165 S188 K190 L191I142-T167 VanDerWaalsContact CG2-OG1 3.23Å; I142-T167 WeakPolarHBondContact CG2-OG1 3.31Å; I142-T167 PolarHBondContact O-N 3.35Å; I142-T167 PolarHBondContact O-OG1 3.19Å; I142-T167 VanDerWaalsContact O-OG1 3.05Å; H165-T167 WeakPolarHBondContact O-CG2 3.35Å; H165-T167 PolarHBondContact O-N 2.95Å; T167-S188 WeakPolarHBondContact CG2-O 3.35Å; T167-K190 HydrophobicContact CG2-CD 4.2Å; T167-K190 HydrophobicContact CG2-CG 4.5Å; T167-K190 PolarHBondContact O-N 3.34Å; T167-L191 PolarHBondContact O-N 3.35Å; T167-L191 VanDerWaalsContact O-N 3.08Å
168E96.9Very high93.9Very high71 Ų7137.9 Ų37.933%0.33221%0.207SC..EExtended strand (participates in β ladder)trans-137.2121.6-170.5-60.5-179.9-177.900110.2I142 H143 V144 F166 L191I142-E168 PolarHBondContact O-N 2.89Å; H143-E168 WeakPolarHBondContact CA-O 3.33Å; H143-E168 HydrophobicContact CB-CB 4.43Å; H143-E168 IonicContact CE1-OE2 3.9Å; H143-E168 IonicContact CG-OE2 3.64Å; H143-E168 IonicContact ND1-OE2 3.58Å; H143-E168 PolarHBondContact ND1-OE2 2.95Å; V144-E168 PolarHBondContact N-O 2.89Å; F166-E168 WeakPolarHBondContact CE2-O 3.41Å; E168-L191 HydrophobicContact CB-CB 4.42Å; E168-L191 HydrophobicContact CG-CB 4.08Å
169L97.5Very high93.9Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-126.4113.9175.117754.9000109.1V144 L158 F166 L171 L189 L191 L192 D193V144-L169 HydrophobicContact CB-CD1 4.19Å; V144-L169 HydrophobicContact CG1-CD1 4.23Å; V144-L169 WeakPolarHBondContact O-CA 3.24Å; L158-L169 HydrophobicContact CD2-CD1 4.05Å; L158-L169 HydrophobicContact CD2-CD2 4.35Å; F166-L169 HydrophobicContact CE1-CB 4.17Å; F166-L169 HydrophobicContact CE1-CD2 4.3Å; F166-L169 HydrophobicContact CZ-CB 3.75Å; F166-L169 HydrophobicContact CZ-CD1 4.01Å; F166-L169 HydrophobicContact CZ-CD2 4.4Å; F166-L169 HydrophobicContact CZ-CG 4.25Å; L169-L171 HydrophobicContact CD1-CD1 3.76Å; L169-L171 HydrophobicContact CD1-CD2 3.98Å; L169-L171 HydrophobicContact CD1-CG 3.62Å; L169-L171 HydrophobicContact CD2-CD1 3.81Å; L169-L171 HydrophobicContact CD2-CG 4.49Å; L169-L171 HydrophobicContact CG-CD1 3.78Å; L169-L171 HydrophobicContact CG-CG 3.91Å; L169-L189 HydrophobicContact CB-CD1 4.1Å; L169-L191 PolarHBondContact N-O 2.99Å; L169-L192 HydrophobicContact CB-CD1 3.97Å; L169-L192 HydrophobicContact CD2-CD1 3.8Å; L169-L192 HydrophobicContact CG-CD1 3.89Å; L169-L192 WeakPolarHBondContact O-CA 3.39Å; L169-D193 PolarHBondContact O-N 3.16Å
170I97.5Very high94Very high33 Ų3339.5 Ų39.517%0.16922%0.217CC..EExtended strand (participates in β ladder)trans-113.3113.9179.3-52.5177.5000108.2V144 D145 A146 S147 K172 L191 D193V144-I170 PolarHBondContact O-N 3.18Å; D145-I170 HydrophobicContact CB-CB 4.2Å; D145-I170 HydrophobicContact CB-CD1 4.48Å; A146-I170 PolarHBondContact N-O 3.13Å; S147-I170 PolarHBondContact N-O 3.28Å; I170-K172 HydrophobicContact CG2-CB 4.45Å; I170-L191 HydrophobicContact CD1-CD2 4.45Å; I170-L191 HydrophobicContact CG1-CD2 3.8Å; I170-D193 HydrophobicContact CG2-CB 4.16Å
171L97.5Very high94Very high1 Ų143 Ų431%0.00523%0.234CC..  trans-129.323.2-178-66.3173.5000111.2A146 L151 I154 L169 N174 I176 D193 L194 N197A146-L171 HydrophobicContact CB-CD2 3.94Å; L151-L171 HydrophobicContact CD1-CD2 3.81Å; I154-L171 HydrophobicContact CD1-CD1 3.65Å; I154-L171 HydrophobicContact CG1-CD1 3.76Å; L169-L171 HydrophobicContact CD1-CD1 3.76Å; L169-L171 HydrophobicContact CD1-CD2 3.98Å; L169-L171 HydrophobicContact CD1-CG 3.62Å; L169-L171 HydrophobicContact CD2-CD1 3.81Å; L169-L171 HydrophobicContact CD2-CG 4.49Å; L169-L171 HydrophobicContact CG-CD1 3.78Å; L169-L171 HydrophobicContact CG-CG 3.91Å; L171-N174 PolarHBondContact O-ND2 2.93Å; L171-I176 HydrophobicContact CB-CD1 3.82Å; L171-I176 HydrophobicContact CD1-CD1 3.81Å; L171-I176 HydrophobicContact CG-CD1 4.28Å; L171-D193 CarbonylContact C-O 3.44Å; L171-D193 WeakPolarHBondContact CA-O 3.31Å; L171-D193 PolarHBondContact N-O 2.67Å; L171-L194 HydrophobicContact CB-CD2 3.77Å; L171-L194 HydrophobicContact CD1-CD2 3.85Å; L171-L194 HydrophobicContact CG-CD2 4.44Å; L171-N197 PolarHBondContact O-ND2 3.01Å
172K96.1Very high94.1Very high64 Ų6440.1 Ų40.128%0.27822%0.215SC..  trans-53.1143.1177.7172.5179.3-178.4-163.30111.6S147 H148 I170 N174 D193 S195 E196S147-K172 CarbonylContact C-O 3.54Å; S147-K172 WeakPolarHBondContact CA-O 3.37Å; S147-K172 WeakPolarHBondContact CB-O 3.4Å; H148-K172 PolarHBondContact N-O 2.9Å; I170-K172 HydrophobicContact CG2-CB 4.45Å; K172-N174 PolarHBondContact O-ND2 2.93Å; K172-D193 PolarHBondContact N-O 3.25Å; K172-S195 CarbonylContact C-O 3.51Å; K172-S195 VanDerWaalsContact CA-O 3.27Å; K172-S195 WeakPolarHBondContact CA-O 3.36Å; K172-S195 WeakPolarHBondContact CG-OG 3.38Å; K172-E196 WeakPolarHBondContact CE-OE1 3.39Å; K172-E196 IonicContact NZ-OE1 3.24Å; K172-E196 PolarHBondContact NZ-OE1 3.44Å
173H96.5Very high94.3Very high86 Ų8638.3 Ų38.340%0.39820%0.2SC..SBendtrans58.261.2172.8-164.1-62.8000112H148 N149 S195 E196H148-H173 VanDerWaalsContact CA-O 3.26Å; H148-H173 WeakPolarHBondContact CA-O 3.32Å; H148-H173 AromaticContact CE1-CD2 3.86Å; H148-H173 AromaticContact CE1-CG 3.76Å; H148-H173 PolarHBondContact N-O 3.29Å; H148-H173 WeakPolarHBondContact ND1-CB 3.13Å; H148-H173 AromaticContact ND1-CD2 3.74Å; H148-H173 AromaticContact ND1-CG 3.36Å; H148-H173 AromaticContact ND1-ND1 3.74Å; N149-H173 PolarHBondContact N-O 3.46Å; H173-S195 PolarHBondContact N-O 3.28Å; H173-E196 WeakPolarHBondContact CA-O 3.46Å; H173-E196 HydrophobicContact CB-CB 4.27Å; H173-E196 IonicContact CD2-OE2 3.04Å; H173-E196 PolarHBondContact CD2-OE2 3.01Å; H173-E196 VanDerWaalsContact CD2-OE2 3.25Å; H173-E196 PolarHBondContact N-O 3.16Å
174N97.6Very high94.1Very high11 Ų1138.8 Ų38.86%0.05921%0.205CC..SBendtrans-131.5-172.4175.7-86.1-76.3000109.8A146 N149 E150 L151 L171 K172 I176 E196 N197A146-N174 PolarHBondContact O-ND2 2.94Å; N149-N174 VanDerWaalsContact CA-OD1 3.31Å; N149-N174 WeakPolarHBondContact CA-OD1 3.19Å; N149-N174 WeakPolarHBondContact CB-OD1 3.21Å; N149-N174 PolarHBondContact N-OD1 3.27Å; N149-N174 PolarHBondContact O-OD1 3.19Å; E150-N174 PolarHBondContact N-OD1 2.9Å; L151-N174 HydrophobicContact CB-CB 4.2Å; L151-N174 VanDerWaalsContact CB-OD1 3.26Å; L151-N174 WeakPolarHBondContact CB-OD1 3.44Å; L151-N174 VanDerWaalsContact CG-OD1 3.28Å; L151-N174 WeakPolarHBondContact CG-OD1 3.29Å; L151-N174 PolarHBondContact N-OD1 3.13Å; L171-N174 PolarHBondContact O-ND2 2.93Å; K172-N174 PolarHBondContact O-ND2 2.93Å; N174-I176 HydrophobicContact CB-CD1 4.21Å; N174-I176 HydrophobicContact CB-CG1 4.1Å; N174-E196 PolarHBondContact N-O 2.96Å; N174-N197 WeakPolarHBondContact CA-OD1 3.27Å; N174-N197 WeakPolarHBondContact CB-OD1 3.26Å; N174-N197 PolarHBondContact O-OD1 2.87Å
175Q96.6Very high94.2Very high83 Ų8340 Ų4039%0.38821%0.206SC..  trans-109.827.4180-59.8176.114.400112L151 K152 E177L151-Q175 CarbonylContact O-C 3.41Å; L151-Q175 VanDerWaalsContact O-CA 3.25Å; L151-Q175 WeakPolarHBondContact O-CA 3.49Å; L151-Q175 PolarHBondContact O-N 3.36Å; K152-Q175 HydrophobicContact CG-CB 4.5Å; Q175-E177 PolarHBondContact O-N 3.42Å
176I96.8Very high94.3Very high0 Ų036.2 Ų36.20%019%0.189CC..  trans-68.2122.5-172-61.5167.6000110.1L151 K152 I154 L171 N174 G178 L194 N197 S198 I199L151-I176 HydrophobicContact CB-CG1 4.38Å; L151-I176 WeakPolarHBondContact O-CG1 3.33Å; L151-I176 PolarHBondContact O-N 2.94Å; L151-I176 VanDerWaalsContact O-N 3.09Å; K152-I176 WeakPolarHBondContact O-CA 3.42Å; I154-I176 HydrophobicContact CD1-CD1 4.45Å; I154-I176 HydrophobicContact CG1-CD1 4Å; I154-I176 HydrophobicContact CG1-CG2 4.24Å; L171-I176 HydrophobicContact CB-CD1 3.82Å; L171-I176 HydrophobicContact CD1-CD1 3.81Å; L171-I176 HydrophobicContact CG-CD1 4.28Å; N174-I176 HydrophobicContact CB-CD1 4.21Å; N174-I176 HydrophobicContact CB-CG1 4.1Å; I176-G178 VanDerWaalsContact CG2-O 3.26Å; I176-G178 WeakPolarHBondContact CG2-O 3.36Å; I176-L194 HydrophobicContact CD1-CD2 3.86Å; I176-N197 HydrophobicContact CB-CB 4.35Å; I176-N197 VanDerWaalsContact CB-OD1 3.25Å; I176-N197 WeakPolarHBondContact CB-OD1 3.37Å; I176-N197 WeakPolarHBondContact CG1-OD1 3.49Å; I176-N197 PolarHBondContact N-OD1 3.37Å; I176-S198 CarbonylContact O-C 3.55Å; I176-S198 VanDerWaalsContact O-CA 3.3Å; I176-S198 WeakPolarHBondContact O-CA 3.47Å; I176-S198 PolarHBondContact O-N 3.18Å; I176-I199 HydrophobicContact CG2-CG1 4.27Å; I176-I199 WeakPolarHBondContact O-CG1 3.36Å; I176-I199 PolarHBondContact O-N 3.41Å; I176-I199 VanDerWaalsContact O-N 3.09Å
177E93.5Very high94Very high115 Ų11540.5 Ų40.554%0.53721%0.211SC..  trans-88.9-23-177.7-63.8-167.6-163.200114.1K152 Q175 I199 K200K152-E177 PolarHBondContact O-N 2.94Å; Q175-E177 PolarHBondContact O-N 3.42Å; E177-I199 WeakPolarHBondContact O-CA 3.46Å; E177-K200 PolarHBondContact O-N 3.5Å
178G90.6Very high93.8Very high27 Ų2740.4 Ų40.428%0.27821%0.211SC..  trans-166.6164-177.200000112.6I176I176-G178 VanDerWaalsContact CG2-O 3.26Å; I176-G178 WeakPolarHBondContact CG2-O 3.36Å
179L93.8Very high93.8Very high16 Ų1637 Ų378%0.08420%0.195CC..  trans-104.5144.1174.8-63.676.9000109.8I154 L192 L194 I199 P203I154-L179 HydrophobicContact CD1-CG 4.38Å; L179-L192 HydrophobicContact CD2-CD2 4.35Å; L179-L194 HydrophobicContact CD1-CD1 4.07Å; L179-L194 HydrophobicContact CD2-CD1 3.52Å; L179-L194 HydrophobicContact CG-CD1 3.87Å; L179-I199 HydrophobicContact CD1-CD1 3.81Å; L179-I199 HydrophobicContact CD1-CG1 4.19Å; L179-I199 HydrophobicContact CD1-CG2 3.77Å; L179-P203 HydrophobicContact CB-CG 3.88Å
180P93.3Very high93.6Very high19 Ų1940.5 Ų40.512%0.12321%0.21CC..  trans-70.214617230.1-34.9000111I154 E156 C159 A182 I183I154-P180 HydrophobicContact CB-CG 4.43Å; E156-P180 HydrophobicContact CG-CB 4.04Å; C159-P180 HydrophobicContact CB-CG 4.27Å; C159-P180 VanDerWaalsContact SG-CG 3.52Å; P180-A182 HydrophobicContact CB-CB 4.49Å; P180-A182 PolarHBondContact O-N 3.01Å; P180-I183 WeakPolarHBondContact O-CB 3.32Å; P180-I183 VanDerWaalsContact O-CG2 3.29Å; P180-I183 WeakPolarHBondContact O-CG2 3.1Å; P180-I183 PolarHBondContact O-N 2.64Å
181N90Very high93.5Very high97 Ų9741.1 Ų41.152%0.51921%0.213SC..G310 helixtrans-60.6-27.1175.2-65.2-1.5000111.8I183 G184 P203 E205N181-I183 PolarHBondContact O-N 3.17Å; N181-G184 PolarHBondContact O-N 3.18Å; N181-P203 WeakPolarHBondContact OD1-CB 3.14Å; N181-E205 HydrophobicContact CB-CG 4.2Å; N181-E205 WeakPolarHBondContact O-CB 3.29Å
182A92.8Very high93.5Very high17 Ų1741.1 Ų41.114%0.1421%0.213CC..G310 helixtrans-58.1-17.3175.100000113.6C159 P180 G184 Q185C159-A182 HydrophobicContact CB-CB 3.73Å; P180-A182 HydrophobicContact CB-CB 4.49Å; P180-A182 PolarHBondContact O-N 3.01Å; A182-G184 PolarHBondContact O-N 2.81Å; A182-Q185 VanDerWaalsContact O-CB 3.26Å; A182-Q185 WeakPolarHBondContact O-CB 3.17Å; A182-Q185 WeakPolarHBondContact O-CG 3.46Å; A182-Q185 PolarHBondContact O-N 3.03Å
183I93.3Very high93.5Very high0 Ų039.5 Ų39.50%021%0.208CC..G310 helixtrans-52-32.7178.7-164.370.8000112.5P180 N181 Q185 L186 P203 L206 C209P180-I183 WeakPolarHBondContact O-CB 3.32Å; P180-I183 VanDerWaalsContact O-CG2 3.29Å; P180-I183 WeakPolarHBondContact O-CG2 3.1Å; P180-I183 PolarHBondContact O-N 2.64Å; N181-I183 PolarHBondContact O-N 3.17Å; I183-Q185 PolarHBondContact O-N 3.39Å; I183-Q185 VanDerWaalsContact O-N 3.14Å; I183-L186 HydrophobicContact CD1-CD1 3.75Å; I183-L186 PolarHBondContact O-N 3.47Å; I183-P203 HydrophobicContact CG2-CG 4.05Å; I183-L206 HydrophobicContact CG1-CD1 3.95Å; I183-L206 HydrophobicContact CG2-CB 4.28Å; I183-L206 HydrophobicContact CG2-CD1 4.16Å; I183-C209 PolarHBondContact O-SG 2.66Å
184G88.5Confident93.5Very high12 Ų1235.4 Ų35.412%0.12419%0.189CC..G310 helixtrans-63.4-14.4176.900000115.2N181 A182 L186 E205N181-G184 PolarHBondContact O-N 3.18Å; A182-G184 PolarHBondContact O-N 2.81Å; G184-L186 VanDerWaalsContact C-N 3.29Å; G184-L186 PolarHBondContact O-N 2.76Å; G184-E205 WeakPolarHBondContact CA-O 3.29Å
185Q90.9Very high93.3Very high92 Ų9235 Ų3543%0.4319%0.187SC..G310 helixtrans-76.9-14.2177.1-59.7179.7500113C159 A182 I183 I187C159-Q185 PolarHBondContact O-OE1 3.35Å; A182-Q185 VanDerWaalsContact O-CB 3.26Å; A182-Q185 WeakPolarHBondContact O-CB 3.17Å; A182-Q185 WeakPolarHBondContact O-CG 3.46Å; A182-Q185 PolarHBondContact O-N 3.03Å; I183-Q185 PolarHBondContact O-N 3.39Å; I183-Q185 VanDerWaalsContact O-N 3.14Å; Q185-I187 VanDerWaalsContact C-N 3.27Å; Q185-I187 PolarHBondContact O-N 3.26Å
186L91.8Very high93.2Very high1 Ų134.5 Ų34.51%0.00519%0.185CC..  trans-78.772.2-178.4-60.5-178.7000111.8L163 F166 I183 G184 S188 L189L163-L186 HydrophobicContact CB-CD2 4.31Å; F166-L186 HydrophobicContact CD1-CD1 3.98Å; F166-L186 HydrophobicContact CD1-CD2 4.06Å; F166-L186 HydrophobicContact CE1-CD1 4.13Å; I183-L186 HydrophobicContact CD1-CD1 3.75Å; I183-L186 PolarHBondContact O-N 3.47Å; G184-L186 VanDerWaalsContact C-N 3.29Å; G184-L186 PolarHBondContact O-N 2.76Å; L186-S188 PolarHBondContact O-N 3.28Å; L186-L189 HydrophobicContact CB-CB 3.89Å; L186-L189 HydrophobicContact CB-CD2 4.44Å; L186-L189 HydrophobicContact CD1-CD1 4.48Å; L186-L189 HydrophobicContact CD1-CD2 4.11Å; L186-L189 WeakPolarHBondContact O-CB 3.25Å; L186-L189 PolarHBondContact O-N 3.3Å; L186-L189 VanDerWaalsContact O-N 3.09Å
187I88.3Confident93.2Very high90 Ų9035 Ų3546%0.46219%0.187SC..THydrogen-bonded Turntrans-60.6-15.4-176.261.1168.1000114.9Q185 K211Q185-I187 VanDerWaalsContact C-N 3.27Å; Q185-I187 PolarHBondContact O-N 3.26Å; I187-K211 WeakPolarHBondContact O-CD 3.42Å; I187-K211 VanDerWaalsContact O-CE 3.28Å; I187-K211 WeakPolarHBondContact O-CE 3.49Å; I187-K211 WeakPolarHBondContact O-CG 3.41Å
188S91Very high93.3Very high14 Ų1432 Ų3210%0.09818%0.179CC..THydrogen-bonded Turntrans-104.2-8.6-179.6-77.70000114.5T164 F166 T167 L186 K190 K211T164-S188 WeakPolarHBondContact O-CB 3.45Å; T164-S188 PolarHBondContact O-OG 3.28Å; F166-S188 CarbonylContact O-C 3.56Å; F166-S188 WeakPolarHBondContact O-CB 3.46Å; T167-S188 WeakPolarHBondContact CG2-O 3.35Å; L186-S188 PolarHBondContact O-N 3.28Å; S188-K190 PolarHBondContact O-N 3.36Å; S188-K211 PolarHBondContact OG-NZ 2.86Å; S188-K211 VanDerWaalsContact OG-NZ 3.12Å
189L95.2Very high93.5Very high0 Ų030.7 Ų30.70%017%0.166CC..  trans-62.5130.6-177.1-165.670.3000110.6F166 L169 L186 L192 K211 L212F166-L189 WeakPolarHBondContact O-CA 3.47Å; F166-L189 PolarHBondContact O-N 2.56Å; F166-L189 VanDerWaalsContact O-N 3.15Å; L169-L189 HydrophobicContact CB-CD1 4.1Å; L186-L189 HydrophobicContact CB-CB 3.89Å; L186-L189 HydrophobicContact CB-CD2 4.44Å; L186-L189 HydrophobicContact CD1-CD1 4.48Å; L186-L189 HydrophobicContact CD1-CD2 4.11Å; L186-L189 WeakPolarHBondContact O-CB 3.25Å; L186-L189 PolarHBondContact O-N 3.3Å; L186-L189 VanDerWaalsContact O-N 3.09Å; L189-L192 HydrophobicContact CD2-CB 4.15Å; L189-L192 HydrophobicContact CD2-CD2 4.4Å; L189-K211 CarbonylContact O-C 3.46Å; L189-K211 WeakPolarHBondContact O-CB 3.43Å; L189-L212 HydrophobicContact CD2-CD1 4.16Å; L189-L212 HydrophobicContact CG-CD1 4.16Å; L189-L212 VanDerWaalsContact O-CA 3.31Å; L189-L212 WeakPolarHBondContact O-CA 3.5Å; L189-L212 PolarHBondContact O-N 3.37Å
190K94Very high93.5Very high73 Ų7335.6 Ų35.632%0.31719%0.186SC..  trans-118.2-37.8-179-64.9174.9-167.1152.70111.9T167 S188 K211 R213 D214T167-K190 HydrophobicContact CG2-CD 4.2Å; T167-K190 HydrophobicContact CG2-CG 4.5Å; T167-K190 PolarHBondContact O-N 3.34Å; S188-K190 PolarHBondContact O-N 3.36Å; K190-K211 HydrophobicContact CG-CB 4.38Å; K190-R213 PolarHBondContact O-N 3.04Å; K190-D214 PolarHBondContact O-N 3.32Å
191L95.4Very high93.3Very high45 Ų4538.3 Ų38.324%0.23621%0.206CC..EExtended strand (participates in β ladder)trans-124.2127-179.7-172.8155.6000109.5T167 E168 L169 I170 D193 D214T167-L191 PolarHBondContact O-N 3.35Å; T167-L191 VanDerWaalsContact O-N 3.08Å; E168-L191 HydrophobicContact CB-CB 4.42Å; E168-L191 HydrophobicContact CG-CB 4.08Å; L169-L191 PolarHBondContact N-O 2.99Å; I170-L191 HydrophobicContact CD1-CD2 4.45Å; I170-L191 HydrophobicContact CG1-CD2 3.8Å; L191-D193 HydrophobicContact CD2-CB 4.31Å; L191-D214 CarbonylContact C-O 3.13Å; L191-D214 WeakPolarHBondContact CA-O 3.2Å; L191-D214 HydrophobicContact CB-CB 4.3Å; L191-D214 HydrophobicContact CD1-CB 4.39Å; L191-D214 HydrophobicContact CG-CB 4.08Å
192L96.7Very high93.4Very high1 Ų134.7 Ų34.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-131.6107.9171.4-179.459.5000108.8L169 L179 L189 L194 L206 L212 D214 L215 N216L169-L192 HydrophobicContact CB-CD1 3.97Å; L169-L192 HydrophobicContact CD2-CD1 3.8Å; L169-L192 HydrophobicContact CG-CD1 3.89Å; L169-L192 WeakPolarHBondContact O-CA 3.39Å; L179-L192 HydrophobicContact CD2-CD2 4.35Å; L189-L192 HydrophobicContact CD2-CB 4.15Å; L189-L192 HydrophobicContact CD2-CD2 4.4Å; L192-L194 HydrophobicContact CD1-CD1 3.94Å; L192-L194 HydrophobicContact CD1-CG 3.98Å; L192-L194 HydrophobicContact CD2-CD1 3.76Å; L192-L194 HydrophobicContact CG-CD1 3.8Å; L192-L194 HydrophobicContact CG-CG 4.1Å; L192-L206 HydrophobicContact CD2-CD1 3.68Å; L192-L212 HydrophobicContact CB-CD1 3.8Å; L192-D214 PolarHBondContact N-O 3.31Å; L192-L215 HydrophobicContact CB-CD1 4.13Å; L192-L215 HydrophobicContact CD2-CD1 3.93Å; L192-L215 HydrophobicContact CG-CD1 4.14Å; L192-L215 WeakPolarHBondContact O-CA 3.41Å; L192-N216 PolarHBondContact O-N 3.21Å
193D96.4Very high93.4Very high31 Ų3134.5 Ų34.517%0.16618%0.184CC..EExtended strand (participates in β ladder)trans-104.5112.7172.5-161.8-27.3000110.5L169 I170 L171 K172 L191 S195 N216L169-D193 PolarHBondContact O-N 3.16Å; I170-D193 HydrophobicContact CG2-CB 4.16Å; L171-D193 CarbonylContact C-O 3.44Å; L171-D193 WeakPolarHBondContact CA-O 3.31Å; L171-D193 PolarHBondContact N-O 2.67Å; K172-D193 PolarHBondContact N-O 3.25Å; L191-D193 HydrophobicContact CD2-CB 4.31Å; D193-S195 VanDerWaalsContact OD1-CB 3.28Å; D193-S195 WeakPolarHBondContact OD1-CB 3.24Å; D193-S195 PolarHBondContact OD1-N 3.26Å; D193-S195 PolarHBondContact OD1-OG 3.08Å; D193-N216 HydrophobicContact CB-CB 4.36Å; D193-N216 PolarHBondContact OD1-ND2 3.09Å; D193-N216 PolarHBondContact OD2-ND2 3.09Å; D193-N216 VanDerWaalsContact OD2-ND2 3.14Å
194L96.2Very high93.1Very high0 Ų038.3 Ų38.30%020%0.201CC..  trans-122.121.6176.3-75.5165.3000110.8I154 L171 I176 L179 L192 N197 I199 N216 L217 N220I154-L194 HydrophobicContact CD1-CD2 4.06Å; L171-L194 HydrophobicContact CB-CD2 3.77Å; L171-L194 HydrophobicContact CD1-CD2 3.85Å; L171-L194 HydrophobicContact CG-CD2 4.44Å; I176-L194 HydrophobicContact CD1-CD2 3.86Å; L179-L194 HydrophobicContact CD1-CD1 4.07Å; L179-L194 HydrophobicContact CD2-CD1 3.52Å; L179-L194 HydrophobicContact CG-CD1 3.87Å; L192-L194 HydrophobicContact CD1-CD1 3.94Å; L192-L194 HydrophobicContact CD1-CG 3.98Å; L192-L194 HydrophobicContact CD2-CD1 3.76Å; L192-L194 HydrophobicContact CG-CD1 3.8Å; L192-L194 HydrophobicContact CG-CG 4.1Å; L194-N197 PolarHBondContact O-ND2 3.1Å; L194-N197 VanDerWaalsContact O-ND2 3.15Å; L194-I199 HydrophobicContact CB-CD1 3.78Å; L194-I199 HydrophobicContact CD1-CD1 4.11Å; L194-I199 HydrophobicContact CD2-CD1 4.19Å; L194-I199 HydrophobicContact CG-CD1 4.27Å; L194-N216 CarbonylContact C-O 3.55Å; L194-N216 WeakPolarHBondContact CA-O 3.48Å; L194-N216 PolarHBondContact N-O 3.21Å; L194-L217 HydrophobicContact CB-CD2 3.94Å; L194-L217 HydrophobicContact CD1-CD2 4.1Å; L194-N220 PolarHBondContact O-ND2 3.24Å
195S94.5Very high93.3Very high2 Ų239.2 Ų39.21%0.01420%0.202CC..  trans-62151.8178.955.10000112.1K172 H173 D193 N197 N216 S218K172-S195 CarbonylContact C-O 3.51Å; K172-S195 VanDerWaalsContact CA-O 3.27Å; K172-S195 WeakPolarHBondContact CA-O 3.36Å; K172-S195 WeakPolarHBondContact CG-OG 3.38Å; H173-S195 PolarHBondContact N-O 3.28Å; D193-S195 VanDerWaalsContact OD1-CB 3.28Å; D193-S195 WeakPolarHBondContact OD1-CB 3.24Å; D193-S195 PolarHBondContact OD1-N 3.26Å; D193-S195 PolarHBondContact OD1-OG 3.08Å; S195-N197 PolarHBondContact O-ND2 3.02Å; S195-N197 VanDerWaalsContact O-ND2 3.08Å; S195-N216 WeakPolarHBondContact CB-ND2 3.43Å; S195-N216 PolarHBondContact N-O 2.86Å; S195-N216 PolarHBondContact OG-ND2 3.15Å; S195-S218 VanDerWaalsContact CA-O 3.24Å; S195-S218 WeakPolarHBondContact CA-O 3.14Å; S195-S218 WeakPolarHBondContact CB-OG 3.47Å
196E94.6Very high93.3Very high73 Ų7334.8 Ų34.834%0.34118%0.182SC..SBendtrans57.656.1176.8-59.6171.2-132.500111.8K172 H173 N174 S218 S219K172-E196 WeakPolarHBondContact CE-OE1 3.39Å; K172-E196 IonicContact NZ-OE1 3.24Å; K172-E196 PolarHBondContact NZ-OE1 3.44Å; H173-E196 WeakPolarHBondContact CA-O 3.46Å; H173-E196 HydrophobicContact CB-CB 4.27Å; H173-E196 IonicContact CD2-OE2 3.04Å; H173-E196 PolarHBondContact CD2-OE2 3.01Å; H173-E196 VanDerWaalsContact CD2-OE2 3.25Å; H173-E196 PolarHBondContact N-O 3.16Å; N174-E196 PolarHBondContact N-O 2.96Å; E196-S218 PolarHBondContact N-O 2.99Å; E196-S219 WeakPolarHBondContact CA-O 3.26Å
197N96.6Very high93.2Very high9 Ų935.3 Ų35.35%0.04819%0.185CC..SBendtrans-129.9-174.8177.2-87.2-83.9000110.5L171 N174 I176 L194 S195 I199 S219 N220 P221L171-N197 PolarHBondContact O-ND2 3.01Å; N174-N197 WeakPolarHBondContact CA-OD1 3.27Å; N174-N197 WeakPolarHBondContact CB-OD1 3.26Å; N174-N197 PolarHBondContact O-OD1 2.87Å; I176-N197 HydrophobicContact CB-CB 4.35Å; I176-N197 VanDerWaalsContact CB-OD1 3.25Å; I176-N197 WeakPolarHBondContact CB-OD1 3.37Å; I176-N197 WeakPolarHBondContact CG1-OD1 3.49Å; I176-N197 PolarHBondContact N-OD1 3.37Å; L194-N197 PolarHBondContact O-ND2 3.1Å; L194-N197 VanDerWaalsContact O-ND2 3.15Å; S195-N197 PolarHBondContact O-ND2 3.02Å; S195-N197 VanDerWaalsContact O-ND2 3.08Å; N197-I199 HydrophobicContact CB-CD1 4.11Å; N197-I199 HydrophobicContact CB-CG1 4.11Å; N197-S219 PolarHBondContact N-O 2.88Å; N197-N220 VanDerWaalsContact CA-OD1 3.3Å; N197-N220 WeakPolarHBondContact CA-OD1 3.46Å; N197-N220 WeakPolarHBondContact CB-OD1 3.49Å; N197-N220 PolarHBondContact O-OD1 2.92Å; N197-N220 VanDerWaalsContact O-OD1 3.06Å; N197-P221 WeakPolarHBondContact O-CD 3.43Å
198S95.7Very high93.2Very high53 Ų5333.9 Ų33.937%0.37118%0.178SC..  trans-105.426.9-179.8-66.70000113.4I176 K200 N220I176-S198 CarbonylContact O-C 3.55Å; I176-S198 VanDerWaalsContact O-CA 3.3Å; I176-S198 WeakPolarHBondContact O-CA 3.47Å; I176-S198 PolarHBondContact O-N 3.18Å; S198-K200 PolarHBondContact O-N 2.88Å; S198-N220 PolarHBondContact N-OD1 3.06Å
199I95.1Very high93.1Very high0 Ų033.4 Ų33.40%018%0.175CC..  trans-69.7119.5-172.8-58.7162.2000110.9I176 E177 L179 L194 N197 S201 V202 L217 N220 P221 L222I176-I199 HydrophobicContact CG2-CG1 4.27Å; I176-I199 WeakPolarHBondContact O-CG1 3.36Å; I176-I199 PolarHBondContact O-N 3.41Å; I176-I199 VanDerWaalsContact O-N 3.09Å; E177-I199 WeakPolarHBondContact O-CA 3.46Å; L179-I199 HydrophobicContact CD1-CD1 3.81Å; L179-I199 HydrophobicContact CD1-CG1 4.19Å; L179-I199 HydrophobicContact CD1-CG2 3.77Å; L194-I199 HydrophobicContact CB-CD1 3.78Å; L194-I199 HydrophobicContact CD1-CD1 4.11Å; L194-I199 HydrophobicContact CD2-CD1 4.19Å; L194-I199 HydrophobicContact CG-CD1 4.27Å; N197-I199 HydrophobicContact CB-CD1 4.11Å; N197-I199 HydrophobicContact CB-CG1 4.11Å; I199-S201 VanDerWaalsContact CG2-O 3.3Å; I199-S201 WeakPolarHBondContact CG2-O 3.39Å; I199-V202 HydrophobicContact CG2-CG2 4.15Å; I199-L217 HydrophobicContact CD1-CD2 4.21Å; I199-N220 HydrophobicContact CB-CB 4.22Å; I199-N220 WeakPolarHBondContact CB-OD1 2.97Å; I199-N220 WeakPolarHBondContact CD1-OD1 3.44Å; I199-N220 VanDerWaalsContact CG1-OD1 3.28Å; I199-N220 WeakPolarHBondContact CG1-OD1 3.31Å; I199-N220 PolarHBondContact N-OD1 3.19Å; I199-P221 CarbonylContact O-C 3.57Å; I199-L222 HydrophobicContact CG2-CD2 4.03Å; I199-L222 WeakPolarHBondContact O-CD2 3.47Å; I199-L222 PolarHBondContact O-N 3.11Å
200K92.4Very high92.7Very high119 Ų11939 Ų3952%0.51721%0.209SC..  trans-91.8-31.2178.4-66.6171.8-174.2157.50113.5E177 S198 S223E177-K200 PolarHBondContact O-N 3.5Å; S198-K200 PolarHBondContact O-N 2.88Å; K200-S223 WeakPolarHBondContact O-CB 3.26Å; K200-S223 PolarHBondContact O-N 2.99Å; K200-S223 PolarHBondContact O-OG 2.87Å
201S90.8Very high92.6Very high76 Ų7640 Ų4053%0.53121%0.213SC..  trans-146.9149.7-178.454.70000110.7I199I199-S201 VanDerWaalsContact CG2-O 3.3Å; I199-S201 WeakPolarHBondContact CG2-O 3.39Å
202V92Very high92.4Very high20 Ų2038.5 Ų38.512%0.12121%0.205CC..  trans-116.4128.3179.5-179.40000108.6I199 L206 L217 L222 L227 L243I199-V202 HydrophobicContact CG2-CG2 4.15Å; V202-L206 HydrophobicContact CG1-CB 4.31Å; V202-L206 HydrophobicContact CG1-CD2 3.55Å; V202-L217 HydrophobicContact CG2-CD1 4.04Å; V202-L217 HydrophobicContact CG2-CD2 4.35Å; V202-L222 HydrophobicContact CG2-CD2 3.82Å; V202-L227 HydrophobicContact CB-CD2 4.19Å; V202-L227 HydrophobicContact CG2-CD2 3.94Å; V202-L243 HydrophobicContact CB-CD2 4.36Å; V202-L243 HydrophobicContact CG1-CD1 3.87Å; V202-L243 HydrophobicContact CG1-CD2 4.38Å
203P91.6Very high92Very high13 Ų1346.1 Ų46.18%0.08423%0.234CC..  trans-65.3145.4178.127.3-34.3000111.3L179 N181 I183 E205 L206L179-P203 HydrophobicContact CB-CG 3.88Å; N181-P203 WeakPolarHBondContact OD1-CB 3.14Å; I183-P203 HydrophobicContact CG2-CG 4.05Å; P203-E205 VanDerWaalsContact CB-OE2 3.32Å; P203-E205 WeakPolarHBondContact CB-OE2 3.43Å; P203-E205 PolarHBondContact O-N 3.23Å; P203-L206 WeakPolarHBondContact O-CB 3.23Å; P203-L206 PolarHBondContact O-N 3.14Å
204F88.5Confident91.8Very high80 Ų8049 Ų4935%0.35125%0.25SC..G310 helixtrans-71.2-20.2179.240.1-95000112.2L206 C207 R247F204-L206 PolarHBondContact O-N 3.12Å; F204-C207 VanDerWaalsContact O-CB 3.3Å; F204-C207 WeakPolarHBondContact O-CB 3.44Å; F204-C207 PolarHBondContact O-N 2.62Å; F204-C207 VanDerWaalsContact O-N 3.11Å; F204-R247 HydrophobicContact CB-CB 4.4Å; F204-R247 HydrophobicContact CB-CG 4.41Å; F204-R247 HydrophobicContact CD2-CG 4.03Å; F204-R247 HydrophobicContact CG-CG 4.31Å
205E91.3Very high91.7Very high31 Ų3149.5 Ų49.515%0.14525%0.252CS..G310 helixtrans-59.9-21172-66.982.4174.500112.6N181 G184 P203 C207 D208N181-E205 HydrophobicContact CB-CG 4.2Å; N181-E205 WeakPolarHBondContact O-CB 3.29Å; G184-E205 WeakPolarHBondContact CA-O 3.29Å; P203-E205 VanDerWaalsContact CB-OE2 3.32Å; P203-E205 WeakPolarHBondContact CB-OE2 3.43Å; P203-E205 PolarHBondContact O-N 3.23Å; E205-C207 PolarHBondContact O-N 3.17Å; E205-C207 VanDerWaalsContact O-N 3.11Å; E205-D208 VanDerWaalsContact O-CB 3.28Å; E205-D208 WeakPolarHBondContact O-CB 3.47Å; E205-D208 PolarHBondContact O-N 2.68Å
206L91.8Very high91.6Very high0 Ų051.8 Ų51.80%026%0.264CS..G310 helixtrans-58.4-25.9173.2-17463.3000112.3I183 L192 V202 P203 F204 D208 C209 L212 L215 L240 L243I183-L206 HydrophobicContact CG1-CD1 3.95Å; I183-L206 HydrophobicContact CG2-CB 4.28Å; I183-L206 HydrophobicContact CG2-CD1 4.16Å; L192-L206 HydrophobicContact CD2-CD1 3.68Å; V202-L206 HydrophobicContact CG1-CB 4.31Å; V202-L206 HydrophobicContact CG1-CD2 3.55Å; P203-L206 WeakPolarHBondContact O-CB 3.23Å; P203-L206 PolarHBondContact O-N 3.14Å; F204-L206 PolarHBondContact O-N 3.12Å; L206-D208 PolarHBondContact O-N 3.29Å; L206-C209 WeakPolarHBondContact O-CB 3.31Å; L206-C209 PolarHBondContact O-N 2.71Å; L206-L212 HydrophobicContact CD1-CD2 3.85Å; L206-L212 HydrophobicContact CG-CD2 4.17Å; L206-L215 HydrophobicContact CD2-CD1 4.05Å; L206-L215 HydrophobicContact CD2-CD2 3.77Å; L206-L240 HydrophobicContact CG-CD2 4.26Å; L206-L243 HydrophobicContact CB-CD1 4.48Å; L206-L243 HydrophobicContact CD2-CD1 4.17Å
207C88.3Confident91.5Very high12 Ų1248.4 Ų48.48%0.08125%0.249CC..G310 helixtrans-69.1-19.6173.3-64.50000114.3F204 E205 L240 L243 R244F204-C207 VanDerWaalsContact O-CB 3.3Å; F204-C207 WeakPolarHBondContact O-CB 3.44Å; F204-C207 PolarHBondContact O-N 2.62Å; F204-C207 VanDerWaalsContact O-N 3.11Å; E205-C207 PolarHBondContact O-N 3.17Å; E205-C207 VanDerWaalsContact O-N 3.11Å; C207-L240 PolarHBondContact SG-O 3.18Å; C207-L243 VanDerWaalsContact SG-C 3.56Å; C207-L243 WeakPolarHBondContact SG-CB 3.35Å; C207-R244 HydrophobicContact CB-CB 4.47Å; C207-R244 PolarHBondContact SG-N 2.9Å
208D88.5Confident91.3Very high59 Ų5949.5 Ų49.532%0.31626%0.257SS..G310 helixtrans-79.4-11.3-179.1-60.8-25.5000111.1E205 L206 V210 R247E205-D208 VanDerWaalsContact O-CB 3.28Å; E205-D208 WeakPolarHBondContact O-CB 3.47Å; E205-D208 PolarHBondContact O-N 2.68Å; L206-D208 PolarHBondContact O-N 3.29Å; D208-V210 VanDerWaalsContact C-N 3.26Å; D208-V210 WeakPolarHBondContact O-CG1 3.33Å; D208-V210 PolarHBondContact O-N 2.8Å; D208-R247 IonicContact OD1-NH1 2.62Å; D208-R247 PolarHBondContact OD1-NH1 2.94Å; D208-R247 IonicContact OD2-CZ 2.73Å; D208-R247 IonicContact OD2-NH1 2.73Å; D208-R247 PolarHBondContact OD2-NH1 3.29Å; D208-R247 IonicContact OD2-NH2 2.73Å
209C89.7Confident91.1Very high4 Ų451 Ų513%0.02727%0.268CS..  trans-69.177.8167.2-61.60000111.4I183 L206 K211 L212I183-C209 PolarHBondContact O-SG 2.66Å; L206-C209 WeakPolarHBondContact O-CB 3.31Å; L206-C209 PolarHBondContact O-N 2.71Å; C209-K211 PolarHBondContact O-N 3.14Å; C209-L212 HydrophobicContact CB-CB 3.8Å; C209-L212 HydrophobicContact CB-CD2 4.25Å; C209-L212 VanDerWaalsContact O-CB 3.29Å; C209-L212 WeakPolarHBondContact O-CB 3.27Å; C209-L212 PolarHBondContact O-N 3.34Å
210V87.5Confident91Very high119 Ų11951.4 Ų51.472%0.72127%0.27SS*.THydrogen-bonded Turntrans-59-20.2-171.3-64.10000115.4D208D208-V210 VanDerWaalsContact C-N 3.26Å; D208-V210 WeakPolarHBondContact O-CG1 3.33Å; D208-V210 PolarHBondContact O-N 2.8Å
211K90.1Very high91Very high93 Ų9349.3 Ų49.340%0.40427%0.268SS..THydrogen-bonded Turntrans-100.2-2.3178.9-64.4-170.3-154.6153.80114I187 S188 L189 K190 C209 R213I187-K211 WeakPolarHBondContact O-CD 3.42Å; I187-K211 VanDerWaalsContact O-CE 3.28Å; I187-K211 WeakPolarHBondContact O-CE 3.49Å; I187-K211 WeakPolarHBondContact O-CG 3.41Å; S188-K211 PolarHBondContact OG-NZ 2.86Å; S188-K211 VanDerWaalsContact OG-NZ 3.12Å; L189-K211 CarbonylContact O-C 3.46Å; L189-K211 WeakPolarHBondContact O-CB 3.43Å; K190-K211 HydrophobicContact CG-CB 4.38Å; C209-K211 PolarHBondContact O-N 3.14Å; K211-R213 WeakPolarHBondContact O-CG 3.49Å; K211-R213 PolarHBondContact O-N 3.47Å
212L91.3Very high91Very high13 Ų1346.1 Ų46.17%0.06825%0.245CC..  trans-68.2123.5-176.3-172.865.6000110.1L189 L192 L206 C209 L215 L240L189-L212 HydrophobicContact CD2-CD1 4.16Å; L189-L212 HydrophobicContact CG-CD1 4.16Å; L189-L212 VanDerWaalsContact O-CA 3.31Å; L189-L212 WeakPolarHBondContact O-CA 3.5Å; L189-L212 PolarHBondContact O-N 3.37Å; L192-L212 HydrophobicContact CB-CD1 3.8Å; L206-L212 HydrophobicContact CD1-CD2 3.85Å; L206-L212 HydrophobicContact CG-CD2 4.17Å; C209-L212 HydrophobicContact CB-CB 3.8Å; C209-L212 HydrophobicContact CB-CD2 4.25Å; C209-L212 VanDerWaalsContact O-CB 3.29Å; C209-L212 WeakPolarHBondContact O-CB 3.27Å; C209-L212 PolarHBondContact O-N 3.34Å; L212-L215 HydrophobicContact CD2-CB 4.35Å; L212-L215 HydrophobicContact CD2-CD1 4.47Å; L212-L240 HydrophobicContact CB-CD1 4.37Å; L212-L240 HydrophobicContact CD2-CD1 4.3Å; L212-L240 HydrophobicContact CD2-CD2 4.03Å; L212-L240 HydrophobicContact CG-CD1 4.37Å
213R89.1Confident90.9Very high161 Ų16149.5 Ų49.561%0.60827%0.269SS*.  trans-123.7-34.5-175.8-70.3174.1-172-154.7-4.5112.2K190 K211 S236K190-R213 PolarHBondContact O-N 3.04Å; K211-R213 WeakPolarHBondContact O-CG 3.49Å; K211-R213 PolarHBondContact O-N 3.47Å; R213-S236 WeakPolarHBondContact O-CB 3.48Å; R213-S236 PolarHBondContact O-OG 3.11Å
214D91.6Very high90.7Very high93 Ų9351.3 Ų51.350%0.49728%0.279SS..EExtended strand (participates in β ladder)trans-117.597.4-176.3-59.1-41.3000107.9K190 L191 L192K190-D214 PolarHBondContact O-N 3.32Å; L191-D214 CarbonylContact C-O 3.13Å; L191-D214 WeakPolarHBondContact CA-O 3.2Å; L191-D214 HydrophobicContact CB-CB 4.3Å; L191-D214 HydrophobicContact CD1-CB 4.39Å; L191-D214 HydrophobicContact CG-CB 4.08Å; L192-D214 PolarHBondContact N-O 3.31Å
215L93.9Very high90.7Very high9 Ų957.4 Ų57.45%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-114.7116178.5173.760.9000108.5L192 L206 L212 L217 S236 L239 L240L192-L215 HydrophobicContact CB-CD1 4.13Å; L192-L215 HydrophobicContact CD2-CD1 3.93Å; L192-L215 HydrophobicContact CG-CD1 4.14Å; L192-L215 WeakPolarHBondContact O-CA 3.41Å; L206-L215 HydrophobicContact CD2-CD1 4.05Å; L206-L215 HydrophobicContact CD2-CD2 3.77Å; L212-L215 HydrophobicContact CD2-CB 4.35Å; L212-L215 HydrophobicContact CD2-CD1 4.47Å; L215-L217 HydrophobicContact CD1-CD1 4.06Å; L215-L217 HydrophobicContact CD1-CD2 4.41Å; L215-L217 HydrophobicContact CD1-CG 3.87Å; L215-L217 HydrophobicContact CD2-CD1 3.88Å; L215-L217 HydrophobicContact CG-CD1 4.01Å; L215-L217 HydrophobicContact CG-CG 4.1Å; L215-S236 PolarHBondContact N-OG 3.1Å; L215-L239 HydrophobicContact CD2-CB 4.38Å; L215-L240 HydrophobicContact CD2-CD2 4.03Å; L215-L240 HydrophobicContact CD2-CG 4.32Å
216N93.1Very high90.6Very high51 Ų5163.1 Ų63.127%0.27332%0.32SS..EExtended strand (participates in β ladder)trans-113.3114.1176-169.78.1000110.4L192 D193 L194 S195 S218L192-N216 PolarHBondContact O-N 3.21Å; D193-N216 HydrophobicContact CB-CB 4.36Å; D193-N216 PolarHBondContact OD1-ND2 3.09Å; D193-N216 PolarHBondContact OD2-ND2 3.09Å; D193-N216 VanDerWaalsContact OD2-ND2 3.14Å; L194-N216 CarbonylContact C-O 3.55Å; L194-N216 WeakPolarHBondContact CA-O 3.48Å; L194-N216 PolarHBondContact N-O 3.21Å; S195-N216 WeakPolarHBondContact CB-ND2 3.43Å; S195-N216 PolarHBondContact N-O 2.86Å; S195-N216 PolarHBondContact OG-ND2 3.15Å; N216-S218 WeakPolarHBondContact OD1-CB 3.41Å; N216-S218 PolarHBondContact OD1-N 3.44Å; N216-S218 PolarHBondContact OD1-OG 3Å
217L93.4Very high90.4Very high2 Ų263.4 Ų63.41%0.0132%0.321CS..  trans-123.520.7177.9-70.1167.1000110.9L194 I199 V202 L215 T231L194-L217 HydrophobicContact CB-CD2 3.94Å; L194-L217 HydrophobicContact CD1-CD2 4.1Å; I199-L217 HydrophobicContact CD1-CD2 4.21Å; V202-L217 HydrophobicContact CG2-CD1 4.04Å; V202-L217 HydrophobicContact CG2-CD2 4.35Å; L215-L217 HydrophobicContact CD1-CD1 4.06Å; L215-L217 HydrophobicContact CD1-CD2 4.41Å; L215-L217 HydrophobicContact CD1-CG 3.87Å; L215-L217 HydrophobicContact CD2-CD1 3.88Å; L215-L217 HydrophobicContact CG-CD1 4.01Å; L215-L217 HydrophobicContact CG-CG 4.1Å; L217-T231 HydrophobicContact CB-CG2 3.69Å
218S92.2Very high90.4Very high31 Ų3165.8 Ų65.822%0.21733%0.332CS..  trans-62.7157.9178.966.50000111.1S195 E196 N216 N220S195-S218 VanDerWaalsContact CA-O 3.24Å; S195-S218 WeakPolarHBondContact CA-O 3.14Å; S195-S218 WeakPolarHBondContact CB-OG 3.47Å; E196-S218 PolarHBondContact N-O 2.99Å; N216-S218 WeakPolarHBondContact OD1-CB 3.41Å; N216-S218 PolarHBondContact OD1-N 3.44Å; N216-S218 PolarHBondContact OD1-OG 3Å; S218-N220 VanDerWaalsContact C-N 3.33Å; S218-N220 PolarHBondContact O-N 2.78Å; S218-N220 PolarHBondContact O-ND2 3.26Å
219S91.4Very high90.4Very high86 Ų8670.1 Ų70.160%0.60135%0.348SS*.SBendtrans53.845.3175.5-53.60000114.1E196 N197E196-S219 WeakPolarHBondContact CA-O 3.26Å; N197-S219 PolarHBondContact N-O 2.88Å
220N93.3Very high90.4Very high8 Ų870.7 Ų70.74%0.04335%0.351CS..  trans-124.2144.2172.7-83.2-87.7000110.8L194 N197 S198 I199 S218 L222 L228L194-N220 PolarHBondContact O-ND2 3.24Å; N197-N220 VanDerWaalsContact CA-OD1 3.3Å; N197-N220 WeakPolarHBondContact CA-OD1 3.46Å; N197-N220 WeakPolarHBondContact CB-OD1 3.49Å; N197-N220 PolarHBondContact O-OD1 2.92Å; N197-N220 VanDerWaalsContact O-OD1 3.06Å; S198-N220 PolarHBondContact N-OD1 3.06Å; I199-N220 HydrophobicContact CB-CB 4.22Å; I199-N220 WeakPolarHBondContact CB-OD1 2.97Å; I199-N220 WeakPolarHBondContact CD1-OD1 3.44Å; I199-N220 VanDerWaalsContact CG1-OD1 3.28Å; I199-N220 WeakPolarHBondContact CG1-OD1 3.31Å; I199-N220 PolarHBondContact N-OD1 3.19Å; S218-N220 VanDerWaalsContact C-N 3.33Å; S218-N220 PolarHBondContact O-N 2.78Å; S218-N220 PolarHBondContact O-ND2 3.26Å; N220-L222 HydrophobicContact CB-CG 4.15Å; N220-L222 PolarHBondContact O-N 3.22Å; N220-L228 WeakPolarHBondContact O-CD1 3.41Å
221P92Very high90.4Very high74 Ų7465.4 Ų65.448%0.48132%0.319SS..  trans-77.155.6178.934.6-37.6000112.6N197 I199 S223N197-P221 WeakPolarHBondContact O-CD 3.43Å; I199-P221 CarbonylContact O-C 3.57Å; P221-S223 PolarHBondContact O-N 3.37Å
222L91.3Very high90Very high9 Ų969.1 Ų69.15%0.04734%0.335CS..  trans-63.2126.1-178.6-64.9170.6000111.5I199 V202 N220 L227 L228 T231I199-L222 HydrophobicContact CG2-CD2 4.03Å; I199-L222 WeakPolarHBondContact O-CD2 3.47Å; I199-L222 PolarHBondContact O-N 3.11Å; V202-L222 HydrophobicContact CG2-CD2 3.82Å; N220-L222 HydrophobicContact CB-CG 4.15Å; N220-L222 PolarHBondContact O-N 3.22Å; L222-L227 HydrophobicContact CD1-CD2 4.01Å; L222-L227 HydrophobicContact CD1-CG 4.04Å; L222-L227 HydrophobicContact CD2-CD2 4.22Å; L222-L228 HydrophobicContact CB-CB 4.23Å; L222-L228 HydrophobicContact CB-CD1 4.22Å; L222-L228 HydrophobicContact CD1-CD1 4.49Å; L222-T231 HydrophobicContact CD1-CG2 3.71Å
223S88.4Confident89.4Confident91 Ų9174.2 Ų74.264%0.63636%0.359SS*.SBendtrans-66.4-35.2177.955.80000113K200 P221 R225K200-S223 WeakPolarHBondContact O-CB 3.26Å; K200-S223 PolarHBondContact O-N 2.99Å; K200-S223 PolarHBondContact O-OG 2.87Å; P221-S223 PolarHBondContact O-N 3.37Å; S223-R225 PolarHBondContact O-N 3Å; S223-R225 VanDerWaalsContact O-N 3.11Å
224D88.9Confident88.8Confident52 Ų5272.8 Ų72.828%0.27836%0.357SS..  trans-74.5101174.2-173.9-24.3000110.3R226 L227 L228 Y242D224-R226 PolarHBondContact O-N 3.37Å; D224-R226 VanDerWaalsContact O-N 3.12Å; D224-R226 WeakPolarHBondContact OD1-CA 3.36Å; D224-R226 WeakPolarHBondContact OD1-CB 3.47Å; D224-R226 PolarHBondContact OD1-N 2.95Å; D224-L227 HydrophobicContact CB-CB 3.8Å; D224-L227 PolarHBondContact O-N 2.87Å; D224-L227 VanDerWaalsContact O-N 3.1Å; D224-L227 PolarHBondContact OD1-N 2.8Å; D224-L227 VanDerWaalsContact OD1-N 3.13Å; D224-L228 WeakPolarHBondContact O-CB 3.33Å; D224-L228 PolarHBondContact O-N 2.91Å; D224-Y242 PolarHBondContact OD1-OH 3Å; D224-Y242 VanDerWaalsContact OD2-CE1 3.23Å; D224-Y242 WeakPolarHBondContact OD2-CE1 3.37Å; D224-Y242 PolarHBondContact OD2-OH 3.44Å
225R88.3Confident88.5Confident208 Ų20871.7 Ų71.779%0.78535%0.351SS*.Hα-helixtrans-56.6-27.1178.7-68.9-174.5176.6-172.8-1113.7S223 K229S223-R225 PolarHBondContact O-N 3Å; S223-R225 VanDerWaalsContact O-N 3.11Å; R225-K229 WeakPolarHBondContact O-CG 3.13Å; R225-K229 PolarHBondContact O-N 2.86Å
226R87.9Confident88.2Confident151 Ų15172 Ų7257%0.5735%0.354SS*.Hα-helixtrans-79.2-44.4177178.5169.7174103.44.4110.5D224 L228 K229 L230 Y242D224-R226 PolarHBondContact O-N 3.37Å; D224-R226 VanDerWaalsContact O-N 3.12Å; D224-R226 WeakPolarHBondContact OD1-CA 3.36Å; D224-R226 WeakPolarHBondContact OD1-CB 3.47Å; D224-R226 PolarHBondContact OD1-N 2.95Å; R226-L228 VanDerWaalsContact C-N 3.29Å; R226-L228 PolarHBondContact O-N 2.86Å; R226-K229 PolarHBondContact O-N 3.25Å; R226-K229 VanDerWaalsContact O-N 3.11Å; R226-L230 HydrophobicContact CG-CD1 4.45Å; R226-L230 WeakPolarHBondContact O-CG 3.45Å; R226-L230 PolarHBondContact O-N 3.43Å; R226-Y242 HydrophobicContact CB-CE2 4.4Å; R226-Y242 HydrophobicContact CG-CD2 4.37Å; R226-Y242 HydrophobicContact CG-CE2 3.77Å; R226-Y242 VanDerWaalsContact NE-CE2 3.28Å
227L88.2Confident87.9Confident6 Ų676.5 Ų76.53%0.03137%0.371CS..Hα-helixtrans-57.7-45.1173-169.869.3000110.5V202 L222 D224 K229 L230 T231 L239 Y242 L243V202-L227 HydrophobicContact CB-CD2 4.19Å; V202-L227 HydrophobicContact CG2-CD2 3.94Å; L222-L227 HydrophobicContact CD1-CD2 4.01Å; L222-L227 HydrophobicContact CD1-CG 4.04Å; L222-L227 HydrophobicContact CD2-CD2 4.22Å; D224-L227 HydrophobicContact CB-CB 3.8Å; D224-L227 PolarHBondContact O-N 2.87Å; D224-L227 VanDerWaalsContact O-N 3.1Å; D224-L227 PolarHBondContact OD1-N 2.8Å; D224-L227 VanDerWaalsContact OD1-N 3.13Å; L227-K229 PolarHBondContact O-N 2.76Å; L227-L230 WeakPolarHBondContact O-CB 3.45Å; L227-L230 PolarHBondContact O-N 3.48Å; L227-T231 WeakPolarHBondContact O-CG2 3.43Å; L227-T231 PolarHBondContact O-N 2.93Å; L227-L239 HydrophobicContact CD1-CD2 3.66Å; L227-L239 HydrophobicContact CG-CD2 4.44Å; L227-Y242 HydrophobicContact CB-CD1 4.37Å; L227-Y242 HydrophobicContact CB-CE1 3.99Å; L227-Y242 HydrophobicContact CD1-CD1 3.74Å; L227-Y242 HydrophobicContact CD1-CE1 4.18Å; L227-L243 HydrophobicContact CD1-CD2 4.15Å; L227-L243 HydrophobicContact CD1-CG 4.25Å; L227-L243 HydrophobicContact CD2-CD2 4.34Å
228L88.8Confident87.7Confident61 Ų6178.5 Ų78.532%0.31938%0.384SS..Hα-helixtrans-59-31176.1-174.465.6000113.7N220 L222 D224 R226 T231N220-L228 WeakPolarHBondContact O-CD1 3.41Å; L222-L228 HydrophobicContact CB-CB 4.23Å; L222-L228 HydrophobicContact CB-CD1 4.22Å; L222-L228 HydrophobicContact CD1-CD1 4.49Å; D224-L228 WeakPolarHBondContact O-CB 3.33Å; D224-L228 PolarHBondContact O-N 2.91Å; R226-L228 VanDerWaalsContact C-N 3.29Å; R226-L228 PolarHBondContact O-N 2.86Å; L228-T231 PolarHBondContact O-OG1 3.49Å
229K88.3Confident87.6Confident150 Ų15077.2 Ų77.265%0.65237%0.374SS*.Hα-helixtrans-74.5-42.1173.4-75.7176.6-178.6-1730111.2R225 R226 L227 T231 K232R225-K229 WeakPolarHBondContact O-CG 3.13Å; R225-K229 PolarHBondContact O-N 2.86Å; R226-K229 PolarHBondContact O-N 3.25Å; R226-K229 VanDerWaalsContact O-N 3.11Å; L227-K229 PolarHBondContact O-N 2.76Å; K229-T231 VanDerWaalsContact C-N 3.28Å; K229-T231 PolarHBondContact O-N 3.28Å; K229-K232 WeakPolarHBondContact O-CB 3.49Å; K229-K232 PolarHBondContact O-N 2.6Å
230L88.9Confident87.5Confident17 Ų1773.8 Ų73.89%0.08935%0.349CS..Hα-helixtrans-64.8-30.6179.1-67.8172.6000112.4R226 L227 K232 E233 L239 Y242R226-L230 HydrophobicContact CG-CD1 4.45Å; R226-L230 WeakPolarHBondContact O-CG 3.45Å; R226-L230 PolarHBondContact O-N 3.43Å; L227-L230 WeakPolarHBondContact O-CB 3.45Å; L227-L230 PolarHBondContact O-N 3.48Å; L230-K232 PolarHBondContact O-N 3.25Å; L230-E233 PolarHBondContact O-N 3.48Å; L230-E233 VanDerWaalsContact O-N 3.12Å; L230-L239 HydrophobicContact CB-CD2 3.42Å; L230-L239 VanDerWaalsContact CB-CD2 3.42Å; L230-L239 HydrophobicContact CB-CG 4.19Å; L230-Y242 HydrophobicContact CD1-CD1 3.97Å; L230-Y242 HydrophobicContact CD1-CD2 4.1Å; L230-Y242 HydrophobicContact CD1-CG 3.58Å
231T87.6Confident87.3Confident8 Ų875.7 Ų75.75%0.04936%0.359CS..G310 helixtrans-64.5-25.8176.659.10000112.6L217 L222 L227 L228 K229 L239L217-T231 HydrophobicContact CB-CG2 3.69Å; L222-T231 HydrophobicContact CD1-CG2 3.71Å; L227-T231 WeakPolarHBondContact O-CG2 3.43Å; L227-T231 PolarHBondContact O-N 2.93Å; L228-T231 PolarHBondContact O-OG1 3.49Å; K229-T231 VanDerWaalsContact C-N 3.28Å; K229-T231 PolarHBondContact O-N 3.28Å; T231-L239 HydrophobicContact CG2-CD1 4.39Å; T231-L239 HydrophobicContact CG2-CD2 3.89Å
232K82.7Confident87.2Confident170 Ų17073 Ų7374%0.73934%0.34SS*.G310 helixtrans-73.6-26.2175.4-60.9-173.6177.7-169.60113.2K229 L230 K234K229-K232 WeakPolarHBondContact O-CB 3.49Å; K229-K232 PolarHBondContact O-N 2.6Å; L230-K232 PolarHBondContact O-N 3.25Å; K232-K234 PolarHBondContact O-N 2.91Å
233E78.3Confident87.1Confident121 Ų12173 Ų7357%0.56534%0.34SS*.G310 helixtrans-73.8-9179.5-63177.5-17700112.6L230 N235L230-E233 PolarHBondContact O-N 3.48Å; L230-E233 VanDerWaalsContact O-N 3.12Å; E233-N235 PolarHBondContact O-N 3.37Å; E233-N235 VanDerWaalsContact O-N 3.13Å
234K75.6Confident87.1Confident131 Ų13175.2 Ų75.257%0.5733%0.334SS*.THydrogen-bonded Turntrans49.337-179.2-62-175.2178.2-178.20113K232K232-K234 PolarHBondContact O-N 2.91Å
235N85.5Confident87.1Confident70 Ų7079.8 Ų79.837%0.37435%0.354SS..  trans-117.399.4178-174.4-19.9000110.2E233 K237 T238 L239E233-N235 PolarHBondContact O-N 3.37Å; E233-N235 VanDerWaalsContact O-N 3.13Å; N235-K237 PolarHBondContact O-N 3.23Å; N235-K237 WeakPolarHBondContact OD1-CB 3.49Å; N235-K237 PolarHBondContact OD1-N 2.82Å; N235-K237 VanDerWaalsContact OD1-N 3.1Å; N235-T238 HydrophobicContact CB-CG2 4.36Å; N235-T238 WeakPolarHBondContact CB-OG1 3.48Å; N235-T238 PolarHBondContact O-N 3.24Å; N235-T238 PolarHBondContact O-OG1 2.94Å; N235-T238 PolarHBondContact OD1-N 3.16Å; N235-L239 PolarHBondContact O-N 2.87Å
236S88.6Confident86.8Confident16 Ų1676 Ų7611%0.11234%0.343CS..Hα-helixtrans-57.8-35-179.2-40.80000112.7R213 L215 L239 L240R213-S236 WeakPolarHBondContact O-CB 3.48Å; R213-S236 PolarHBondContact O-OG 3.11Å; L215-S236 PolarHBondContact N-OG 3.1Å; S236-L239 PolarHBondContact O-N 3.3Å; S236-L240 WeakPolarHBondContact O-CB 3.42Å; S236-L240 VanDerWaalsContact O-CG 3.27Å; S236-L240 WeakPolarHBondContact O-CG 3.42Å; S236-L240 PolarHBondContact O-N 3.09Å
237K87.3Confident86.4Confident144 Ų14473.9 Ų73.963%0.62634%0.335SS*.Hα-helixtrans-67.3-44.1-177.4-174.3-178.7176.5-176.20111.2N235 L239 L240 D241N235-K237 PolarHBondContact O-N 3.23Å; N235-K237 WeakPolarHBondContact OD1-CB 3.49Å; N235-K237 PolarHBondContact OD1-N 2.82Å; N235-K237 VanDerWaalsContact OD1-N 3.1Å; K237-L239 VanDerWaalsContact C-N 3.32Å; K237-L239 PolarHBondContact O-N 3.15Å; K237-L240 PolarHBondContact O-N 3.3Å; K237-D241 VanDerWaalsContact O-CB 3.29Å; K237-D241 WeakPolarHBondContact O-CB 3.31Å; K237-D241 PolarHBondContact O-N 3.43Å
238T89.1Confident85.4Confident45 Ų4578.3 Ų78.328%0.27636%0.364SS..Hα-helixtrans-67.4-35.417955.80000111.7N235 Y242N235-T238 HydrophobicContact CB-CG2 4.36Å; N235-T238 WeakPolarHBondContact CB-OG1 3.48Å; N235-T238 PolarHBondContact O-N 3.24Å; N235-T238 PolarHBondContact O-OG1 2.94Å; N235-T238 PolarHBondContact OD1-N 3.16Å; T238-Y242 VanDerWaalsContact O-CB 3.29Å; T238-Y242 WeakPolarHBondContact O-CB 3.29Å; T238-Y242 PolarHBondContact O-N 3.39Å
239L89Confident83.6Confident3 Ų383.7 Ų83.72%0.01639%0.388CS..Hα-helixtrans-61.4-51.4172.1-73.8169.1000111.9L215 L227 L230 T231 N235 S236 K237 D241 Y242 L243L215-L239 HydrophobicContact CD2-CB 4.38Å; L227-L239 HydrophobicContact CD1-CD2 3.66Å; L227-L239 HydrophobicContact CG-CD2 4.44Å; L230-L239 HydrophobicContact CB-CD2 3.42Å; L230-L239 VanDerWaalsContact CB-CD2 3.42Å; L230-L239 HydrophobicContact CB-CG 4.19Å; T231-L239 HydrophobicContact CG2-CD1 4.39Å; T231-L239 HydrophobicContact CG2-CD2 3.89Å; N235-L239 PolarHBondContact O-N 2.87Å; S236-L239 PolarHBondContact O-N 3.3Å; K237-L239 VanDerWaalsContact C-N 3.32Å; K237-L239 PolarHBondContact O-N 3.15Å; L239-D241 PolarHBondContact O-N 3.48Å; L239-Y242 WeakPolarHBondContact O-CB 3.44Å; L239-Y242 PolarHBondContact O-N 2.97Å; L239-L243 WeakPolarHBondContact O-CG 3.23Å; L239-L243 PolarHBondContact O-N 3.13Å
240L89Confident81.3Confident14 Ų1482.1 Ų82.17%0.07340%0.396CS..Hα-helixtrans-66-37.5179.5-68.1171.1000112.1L206 C207 L212 L215 S236 K237 Y242 L243 R244L206-L240 HydrophobicContact CG-CD2 4.26Å; C207-L240 PolarHBondContact SG-O 3.18Å; L212-L240 HydrophobicContact CB-CD1 4.37Å; L212-L240 HydrophobicContact CD2-CD1 4.3Å; L212-L240 HydrophobicContact CD2-CD2 4.03Å; L212-L240 HydrophobicContact CG-CD1 4.37Å; L215-L240 HydrophobicContact CD2-CD2 4.03Å; L215-L240 HydrophobicContact CD2-CG 4.32Å; S236-L240 WeakPolarHBondContact O-CB 3.42Å; S236-L240 VanDerWaalsContact O-CG 3.27Å; S236-L240 WeakPolarHBondContact O-CG 3.42Å; S236-L240 PolarHBondContact O-N 3.09Å; K237-L240 PolarHBondContact O-N 3.3Å; L240-Y242 VanDerWaalsContact C-N 3.34Å; L240-L243 PolarHBondContact O-N 3.08Å; L240-R244 WeakPolarHBondContact O-CB 3.42Å; L240-R244 PolarHBondContact O-N 3.35Å
241D89.7Confident78.6Confident48 Ų4890 Ų9026%0.25743%0.432SS..Hα-helixtrans-66.8-37.1175.3-71.9-18.8000111.3K237 L239 R244 Q245K237-D241 VanDerWaalsContact O-CB 3.29Å; K237-D241 WeakPolarHBondContact O-CB 3.31Å; K237-D241 PolarHBondContact O-N 3.43Å; L239-D241 PolarHBondContact O-N 3.48Å; D241-R244 PolarHBondContact O-N 2.91Å; D241-R244 IonicContact OD1-CZ 3.88Å; D241-R244 IonicContact OD1-NH1 3.62Å; D241-R244 PolarHBondContact OD1-NH1 2.98Å; D241-Q245 WeakPolarHBondContact O-CG 3.47Å; D241-Q245 PolarHBondContact O-N 3.34Å
242Y90.5Very high75.9Confident17 Ų1797.2 Ų97.27%0.06747%0.47CS..Hα-helixtrans-65.3-46.1175.1177.3-104.5000112.3D224 R226 L227 L230 T238 L239 L240 R244 Q245 K246D224-Y242 PolarHBondContact OD1-OH 3Å; D224-Y242 VanDerWaalsContact OD2-CE1 3.23Å; D224-Y242 WeakPolarHBondContact OD2-CE1 3.37Å; D224-Y242 PolarHBondContact OD2-OH 3.44Å; R226-Y242 HydrophobicContact CB-CE2 4.4Å; R226-Y242 HydrophobicContact CG-CD2 4.37Å; R226-Y242 HydrophobicContact CG-CE2 3.77Å; R226-Y242 VanDerWaalsContact NE-CE2 3.28Å; L227-Y242 HydrophobicContact CB-CD1 4.37Å; L227-Y242 HydrophobicContact CB-CE1 3.99Å; L227-Y242 HydrophobicContact CD1-CD1 3.74Å; L227-Y242 HydrophobicContact CD1-CE1 4.18Å; L230-Y242 HydrophobicContact CD1-CD1 3.97Å; L230-Y242 HydrophobicContact CD1-CD2 4.1Å; L230-Y242 HydrophobicContact CD1-CG 3.58Å; T238-Y242 VanDerWaalsContact O-CB 3.29Å; T238-Y242 WeakPolarHBondContact O-CB 3.29Å; T238-Y242 PolarHBondContact O-N 3.39Å; L239-Y242 WeakPolarHBondContact O-CB 3.44Å; L239-Y242 PolarHBondContact O-N 2.97Å; L240-Y242 VanDerWaalsContact C-N 3.34Å; Y242-R244 VanDerWaalsContact C-N 3.29Å; Y242-R244 PolarHBondContact O-N 3.02Å; Y242-Q245 PolarHBondContact O-N 3.08Å; Y242-K246 HydrophobicContact CE1-CG 4.19Å; Y242-K246 HydrophobicContact CE2-CG 4.16Å; Y242-K246 PolarHBondContact O-N 3.19Å; Y242-K246 VanDerWaalsContact O-N 3.13Å; Y242-K246 WeakPolarHBondContact OH-CE 3.49Å
243L88.2Confident73.4Confident11 Ų1193.6 Ų93.66%0.05847%0.466CS..Hα-helixtrans-61.1-39.3174.7-71173.1000111.1V202 L206 C207 L227 L239 L240 Q245 K246 R247V202-L243 HydrophobicContact CB-CD2 4.36Å; V202-L243 HydrophobicContact CG1-CD1 3.87Å; V202-L243 HydrophobicContact CG1-CD2 4.38Å; L206-L243 HydrophobicContact CB-CD1 4.48Å; L206-L243 HydrophobicContact CD2-CD1 4.17Å; C207-L243 VanDerWaalsContact SG-C 3.56Å; C207-L243 WeakPolarHBondContact SG-CB 3.35Å; L227-L243 HydrophobicContact CD1-CD2 4.15Å; L227-L243 HydrophobicContact CD1-CG 4.25Å; L227-L243 HydrophobicContact CD2-CD2 4.34Å; L239-L243 WeakPolarHBondContact O-CG 3.23Å; L239-L243 PolarHBondContact O-N 3.13Å; L240-L243 PolarHBondContact O-N 3.08Å; L243-Q245 VanDerWaalsContact C-N 3.33Å; L243-Q245 PolarHBondContact O-N 3Å; L243-K246 PolarHBondContact O-N 2.99Å; L243-R247 PolarHBondContact O-N 3.29Å
244R89.2Confident71.1Confident137 Ų13794.9 Ų94.952%0.51748%0.483SS..Hα-helixtrans-63.5-37.5176.8-166.8-178.2-63.6119.55.6112.4C207 L240 D241 Y242 K246C207-R244 HydrophobicContact CB-CB 4.47Å; C207-R244 PolarHBondContact SG-N 2.9Å; L240-R244 WeakPolarHBondContact O-CB 3.42Å; L240-R244 PolarHBondContact O-N 3.35Å; D241-R244 PolarHBondContact O-N 2.91Å; D241-R244 IonicContact OD1-CZ 3.88Å; D241-R244 IonicContact OD1-NH1 3.62Å; D241-R244 PolarHBondContact OD1-NH1 2.98Å; Y242-R244 VanDerWaalsContact C-N 3.29Å; Y242-R244 PolarHBondContact O-N 3.02Å; R244-K246 VanDerWaalsContact C-N 3.35Å
245Q87.8Confident69Low147 Ų14792.4 Ų92.469%0.68749%0.494SS*.Hα-helixtrans-71.4-28.4176.7-72.5170.624.900113.2D241 Y242 L243D241-Q245 WeakPolarHBondContact O-CG 3.47Å; D241-Q245 PolarHBondContact O-N 3.34Å; Y242-Q245 PolarHBondContact O-N 3.08Å; L243-Q245 VanDerWaalsContact C-N 3.33Å; L243-Q245 PolarHBondContact O-N 3Å
246K83Confident66.2Low130 Ų13098.8 Ų98.857%0.56552%0.518SS*.Hα-helixtrans-83.7-13.5-179.5-81.9-70.6-1691750114.2Y242 L243 R244Y242-K246 HydrophobicContact CE1-CG 4.19Å; Y242-K246 HydrophobicContact CE2-CG 4.16Å; Y242-K246 PolarHBondContact O-N 3.19Å; Y242-K246 VanDerWaalsContact O-N 3.13Å; Y242-K246 WeakPolarHBondContact OH-CE 3.49Å; L243-K246 PolarHBondContact O-N 2.99Å; R244-K246 VanDerWaalsContact C-N 3.35Å
247R79.3Confident63.6Low106 Ų106106 Ų10640%0.455%0.554SS.*SBendtrans-54.1128.7175.8-167.1174-173.7151.64.8108.9F204 D208 L243 Q249F204-R247 HydrophobicContact CB-CB 4.4Å; F204-R247 HydrophobicContact CB-CG 4.41Å; F204-R247 HydrophobicContact CD2-CG 4.03Å; F204-R247 HydrophobicContact CG-CG 4.31Å; D208-R247 IonicContact OD1-NH1 2.62Å; D208-R247 PolarHBondContact OD1-NH1 2.94Å; D208-R247 IonicContact OD2-CZ 2.73Å; D208-R247 IonicContact OD2-NH1 2.73Å; D208-R247 PolarHBondContact OD2-NH1 3.29Å; D208-R247 IonicContact OD2-NH2 2.73Å; L243-R247 PolarHBondContact O-N 3.29Å; R247-Q249 PolarHBondContact O-N 3.48Å
248P67.7Low60.7Low99 Ų99103.3 Ų103.364%0.64355%0.554SS**  trans-55.4109.8176-22.431.7000109S250P248-S250 PolarHBondContact O-N 3Å
249Q50.5Low58.2Low173 Ų173109.9 Ų109.981%0.80858%0.579SS**  trans-69.2115.5171.2-70.9-164.2-8.900106.5R247 H251R247-Q249 PolarHBondContact O-N 3.48Å; Q249-H251 PolarHBondContact O-N 3.1Å
250S41Very low55.5Low117 Ų117115.7 Ų115.782%0.81861%0.614SS**  trans-51.1115.6160.550.40000107P248 D252P248-S250 PolarHBondContact O-N 3Å; S250-D252 PolarHBondContact O-N 3.37Å
251H32.2Very low52.6Low182 Ų182119.4 Ų119.484%0.84365%0.647SS**  trans-50110.2179.8-97.2-94000110.4Q249Q249-H251 PolarHBondContact O-N 3.1Å
252D30.5Very low49.8Very low161 Ų161126.8 Ų126.886%0.86168%0.677SS**  trans-135.4113.9140.5-105.4-24.2000108.6S250S250-D252 PolarHBondContact O-N 3.37Å
253S28.6Very low46.9Very low94 Ų94133.1 Ų133.166%0.65772%0.717SS**  trans-64.8134.6-177.643.80000112.6
254T31.8Very low44.2Very low148 Ų148136.1 Ų136.191%0.90875%0.75SS**  trans154.2140.4130.949.30000111.5
255G31.2Very low41.3Very low79 Ų79139.2 Ų139.281%0.81477%0.768SS**  trans123.975.5161.100000116.6
256K26.5Very low38.6Very low203 Ų203140.7 Ų140.788%0.88377%0.774SS**  trans-46.9146.3157-72.7167.9170.8170.40111.1
257I33.6Very low36Very low167 Ų167139.1 Ų139.186%0.85678%0.78SS**  -168.1119.7114.1-86.8147.2000109.7
258S27.4Very low33.5Very low89 Ų89140.4 Ų140.462%0.62280%0.8SS**  trans-64.7153.3164.653.70000113.3
259K35.5Very low31.4Very low183 Ų183139.7 Ų139.780%0.79681%0.81SS**  176.2131.9112.4-95.9172.9-179.2178.20114.3
260T32.1Very low30.3Very low125 Ų125134.8 Ų134.877%0.76781%0.806SS**  trans66.8116.7138.657.80000119.4
261A29Very low29.6Very low91 Ų91138.8 Ų138.875%0.75281%0.812SS**  cis89.1111.443.200000115.1
262K30.1Very low29.5Very low204 Ų204136.3 Ų136.389%0.88781%0.809SS**  trans168.1105.3143.3-97.5176178.6-178.80107.7
263V30.5Very low29.4Very low150 Ų150135 Ų13591%0.90980%0.802SS**  72.211965.5-177.60000114.3
264G30.2Very low29.3Very low74 Ų74140.4 Ų140.476%0.76382%0.817SS**  trans114.8126.2161.200000113
265K29.7Very low29Very low202 Ų202139 Ų13988%0.87881%0.808SS**  cis-167.3149.79.5-154.6172.5-177.3-179.90108.5
266Q29.3Very low29Very low177 Ų177144.5 Ų144.583%0.82781%0.813SS**  trans-41.8164.2163.7-71.2160.9-2500113.1
267S28.4Very low29.5Very low98 Ų98142.1 Ų142.169%0.68581%0.805SS**  cis179.5146.810.935.50000103.3
268T28Very low30.4Very low133 Ų133136.6 Ų136.682%0.81679%0.785SS**  165.5128.193.741.40000104.7
269G24.4Very low32.5Very low84 Ų84134.4 Ų134.487%0.86678%0.776SS**  83.597.593.500000111
270G27.3Very low35Very low70 Ų70126.9 Ų126.972%0.72274%0.744SS**  trans18094.7175.600000110.6V272G270-V272 PolarHBondContact O-N 2.97Å
271E25.8Very low37.7Very low201 Ų201122.8 Ų122.894%0.93972%0.719SS**  trans-57.6125.2165.1-6817015300108.6
272V29.9Very low40.7Very low129 Ų129118.4 Ų118.478%0.78268%0.683SS**  trans-133.3124.8168.5-1730000108.9G270G270-V272 PolarHBondContact O-N 2.97Å
273N27.5Very low43.7Very low135 Ų135110.1 Ų110.172%0.72265%0.65SS**  trans-51.4150.7-174.7-64.4-40.4000114.3T275N273-T275 PolarHBondContact O-N 3.06Å; N273-T275 PolarHBondContact O-OG1 3.05Å
274E26.6Very low46.7Very low206 Ų206103.4 Ų103.496%0.96361%0.609SS**  trans-44.6102.6161.2-65.2178.1159.100109.7
275T27.2Very low49.7Very low118 Ų118103.3 Ų103.372%0.72459%0.589SS**  trans-108.1122.7175.121.10000107N273 Q277N273-T275 PolarHBondContact O-N 3.06Å; N273-T275 PolarHBondContact O-OG1 3.05Å; T275-Q277 PolarHBondContact O-N 3.28Å; T275-Q277 VanDerWaalsContact O-N 3.16Å
276E30.4Very low52.6Low195 Ų19598.7 Ų98.791%0.91158%0.577SS**  trans-40.7116.7174.9-67.917114400110.2A278E276-A278 PolarHBondContact O-N 3.05Å
277Q37.3Very low55.3Low153 Ų15391.9 Ų91.972%0.71555%0.549SS*.  trans-65.8106.9171.5-84.1167.931.900107.5T275 G279T275-Q277 PolarHBondContact O-N 3.28Å; T275-Q277 VanDerWaalsContact O-N 3.16Å; Q277-G279 PolarHBondContact O-N 2.77Å
278A52.5Low58.2Low52 Ų5290.2 Ų90.243%0.4353%0.533SS..  trans-56.1114.117400000109.4E276 G549E276-A278 PolarHBondContact O-N 3.05Å; A278-G549 WeakPolarHBondContact O-CA 3.5Å; A278-G549 PolarHBondContact O-N 3.17Å
279G71.8Confident60.9Low43 Ų4387 Ų8744%0.44352%0.519SS..  trans-66.7161.2176.700000112.1Q277Q277-G279 PolarHBondContact O-N 2.77Å
280N86.3Confident64.1Low24 Ų2488.7 Ų88.713%0.12851%0.509CS..  trans-64.6143.2169.9-65.4-35.4000109.4L533 T537 G549 V550 A582 D583N280-L533 HydrophobicContact CB-CD2 4.26Å; N280-T537 PolarHBondContact OD1-OG1 3.14Å; N280-T537 VanDerWaalsContact OD1-OG1 3.13Å; N280-G549 WeakPolarHBondContact OD1-CA 3.46Å; N280-V550 CarbonylContact C-O 3.09Å; N280-V550 WeakPolarHBondContact CA-O 3.49Å; N280-V550 HydrophobicContact CB-CG2 4.4Å; N280-V550 WeakPolarHBondContact OD1-CG2 3.4Å; N280-V550 PolarHBondContact OD1-N 2.99Å; N280-A582 HydrophobicContact CB-CB 3.78Å; N280-A582 CarbonylContact O-C 3.57Å; N280-A582 WeakPolarHBondContact O-CA 3.4Å; N280-A582 WeakPolarHBondContact O-CB 3.43Å; N280-D583 PolarHBondContact O-N 3.31Å
281V88.7Confident67.2Low39 Ų3986.8 Ų86.824%0.23648%0.481CS..EExtended strand (participates in β ladder)trans-122.1127.5179.8-178.10000109.7V283 V550 K551 I552 D583 V585V281-V283 HydrophobicContact CG1-CG2 4.22Å; V281-V550 PolarHBondContact N-O 3.34Å; V281-K551 HydrophobicContact CB-CG 4.36Å; V281-K551 VanDerWaalsContact O-CA 3.32Å; V281-K551 WeakPolarHBondContact O-CA 3.41Å; V281-I552 PolarHBondContact O-N 3.48Å; V281-D583 CarbonylContact C-O 3.08Å; V281-D583 WeakPolarHBondContact CA-O 3.24Å; V281-V585 HydrophobicContact CG1-CG2 4Å
282I91.9Very high70.4Confident0 Ų083.9 Ų83.90%046%0.461CS..EExtended strand (participates in β ladder)trans-106.6115.8170.4-57.2176.9000108.1V284 I529 L533 I552 L554 L577 L580 A582 D583 V584 V585I282-V284 HydrophobicContact CG2-CG2 4.28Å; I282-I529 HydrophobicContact CD1-CG2 4.06Å; I282-L533 HydrophobicContact CD1-CD1 4Å; I282-L533 HydrophobicContact CG1-CD1 4.24Å; I282-L533 HydrophobicContact CG1-CD2 4.44Å; I282-I552 HydrophobicContact CB-CG1 4.48Å; I282-I552 HydrophobicContact CG1-CD1 4.23Å; I282-I552 HydrophobicContact CG1-CG1 4.05Å; I282-I552 HydrophobicContact CG2-CG1 4.4Å; I282-L554 HydrophobicContact CG2-CB 4.4Å; I282-L554 HydrophobicContact CG2-CD1 3.58Å; I282-L554 HydrophobicContact CG2-CG 3.78Å; I282-L577 HydrophobicContact CG2-CD1 4.19Å; I282-L580 HydrophobicContact CD1-CD1 3.7Å; I282-A582 HydrophobicContact CD1-CB 3.95Å; I282-A582 HydrophobicContact CG1-CB 3.81Å; I282-D583 PolarHBondContact N-O 3.42Å; I282-V584 HydrophobicContact CB-CG2 4.41Å; I282-V584 HydrophobicContact CD1-CG2 4.37Å; I282-V584 CarbonylContact O-C 3.19Å; I282-V584 WeakPolarHBondContact O-CA 3.49Å; I282-V585 PolarHBondContact O-N 2.97Å
283V93.1Very high73.6Confident30 Ų3077.9 Ų77.918%0.18243%0.425CS..EExtended strand (participates in β ladder)trans-94.2118.2170.4-177.90000108.8V281 K551 I552 T553 L554 V585V281-V283 HydrophobicContact CG1-CG2 4.22Å; V283-K551 HydrophobicContact CG2-CD 4.48Å; V283-K551 HydrophobicContact CG2-CG 4.4Å; V283-I552 PolarHBondContact N-O 3.34Å; V283-T553 CarbonylContact O-C 3.53Å; V283-T553 VanDerWaalsContact O-CA 3.27Å; V283-T553 WeakPolarHBondContact O-CA 3.4Å; V283-L554 PolarHBondContact O-N 3.05Å; V283-V585 WeakPolarHBondContact CA-O 3.39Å; V283-V585 HydrophobicContact CG2-CB 4.43Å
284V94.1Very high76.9Confident8 Ų877.2 Ų77.25%0.04841%0.412CS..EExtended strand (participates in β ladder)trans-91.2123.6175.3179.90000109.2I282 L554 P572 L577 V584 V585 R586 P587I282-V284 HydrophobicContact CG2-CG2 4.28Å; V284-L554 CarbonylContact C-O 3.57Å; V284-L554 VanDerWaalsContact CA-O 3.28Å; V284-L554 WeakPolarHBondContact CA-O 3.35Å; V284-P572 HydrophobicContact CG1-CG 3.83Å; V284-P572 HydrophobicContact CG2-CG 4.14Å; V284-L577 HydrophobicContact CG2-CD1 4Å; V284-V584 HydrophobicContact CG2-CG1 3.84Å; V284-V585 PolarHBondContact N-O 3.41Å; V284-R586 HydrophobicContact CB-CG 4.09Å; V284-R586 HydrophobicContact CG2-CG 4.2Å; V284-P587 WeakPolarHBondContact O-CD 3.37Å
285E92.8Very high80.2Confident73 Ų7368 Ų6834%0.34137%0.369SS..EExtended strand (participates in β ladder)trans-99.3150.1172.5-73.3177.717700111K312 T553 L554 E555 Q556E285-K312 IonicContact OE2-NZ 3.73Å; E285-K312 PolarHBondContact OE2-NZ 2.99Å; E285-T553 HydrophobicContact CB-CG2 4.47Å; E285-T553 HydrophobicContact CG-CG2 3.7Å; E285-T553 WeakPolarHBondContact OE1-CG2 3.31Å; E285-L554 PolarHBondContact N-O 2.58Å; E285-E555 HydrophobicContact CB-CB 4.24Å; E285-E555 HydrophobicContact CB-CG 4.48Å; E285-Q556 PolarHBondContact O-N 3.43Å
286T90.5Very high83.5Confident104 Ų10463.1 Ų63.164%0.63834%0.339SS*.PPolyproline II helixtrans-68.1153.5172.746.70000111N288 P587T286-N288 PolarHBondContact O-N 3.33Å; T286-P587 HydrophobicContact CG2-CG 3.97Å
287S86.6Confident86.5Confident35 Ų3556.3 Ų56.325%0.24531%0.313CS..PPolyproline II helixtrans-60.5128.7-179.1-177.30000112.2Q556S287-Q556 WeakPolarHBondContact CA-O 3.28Å; S287-Q556 WeakPolarHBondContact CB-O 3.37Å; S287-Q556 PolarHBondContact OG-O 3.23Å
288N89.3Confident89.2Confident62 Ų6253.2 Ų53.233%0.33230%0.298SS..PPolyproline II helixtrans-74.6131.8171.7-172.7-13.8000110.5T286 D290 H291 E555T286-N288 PolarHBondContact O-N 3.33Å; N288-D290 PolarHBondContact O-N 3.47Å; N288-D290 PolarHBondContact OD1-N 3.28Å; N288-H291 HydrophobicContact CB-CB 4.48Å; N288-H291 PolarHBondContact O-N 2.87Å; N288-H291 VanDerWaalsContact O-N 3.12Å; N288-E555 WeakPolarHBondContact CB-OE1 3.25Å; N288-E555 PolarHBondContact N-OE1 3.3Å; N288-E555 VanDerWaalsContact N-OE1 3.12Å
289A86Confident91.2Very high65 Ų6550.7 Ų50.754%0.53728%0.278SS..THydrogen-bonded Turntrans-62.8-19.3178.400000113.9R292A289-R292 WeakPolarHBondContact O-CG 3.19Å; A289-R292 PolarHBondContact O-NE 3.18Å
290D89.6Confident92.2Very high120 Ų12050.4 Ų50.464%0.64227%0.271SS*.THydrogen-bonded Turntrans-80.2-26.9176.5-63.2-27.8000112.3N288 R292 F355N288-D290 PolarHBondContact O-N 3.47Å; N288-D290 PolarHBondContact OD1-N 3.28Å; D290-R292 VanDerWaalsContact C-N 3.25Å; D290-R292 PolarHBondContact O-N 3.05Å; D290-F355 VanDerWaalsContact O-CB 3.23Å; D290-F355 WeakPolarHBondContact O-CB 3.14Å
291H93.2Very high92.5Very high31 Ų3156.1 Ų56.114%0.14430%0.302CS..SBendtrans-86.853.4-177.9-62.1156.8000112.6N288 I310 F355 E555N288-H291 HydrophobicContact CB-CB 4.48Å; N288-H291 PolarHBondContact O-N 2.87Å; N288-H291 VanDerWaalsContact O-N 3.12Å; H291-I310 HydrophobicContact CB-CD1 4.1Å; H291-I310 WeakPolarHBondContact ND1-CD1 3.42Å; H291-F355 VanDerWaalsContact C-CD1 3.46Å; H291-F355 HydrophobicContact CB-CD1 4.28Å; H291-F355 HydrophobicContact CB-CE1 3.86Å; H291-F355 HydrophobicContact CB-CE2 4.27Å; H291-F355 HydrophobicContact CB-CZ 3.86Å; H291-F355 AromaticContact CD2-CD2 3.67Å; H291-F355 AromaticContact CD2-CE2 3.37Å; H291-F355 WeakPolarHBondContact CD2-CE2 3.36Å; H291-F355 AromaticContact CD2-CZ 3.84Å; H291-F355 AromaticContact CG-CE2 3.99Å; H291-F355 AromaticContact CG-CZ 3.98Å; H291-E555 IonicContact CE1-OE1 3.8Å; H291-E555 IonicContact CE1-OE2 2.86Å; H291-E555 IonicContact CG-OE1 2.7Å; H291-E555 IonicContact ND1-OE1 3.76Å; H291-E555 PolarHBondContact ND1-OE1 3.08Å; H291-E555 IonicContact ND1-OE2 3.72Å; H291-E555 PolarHBondContact ND1-OE2 2.76Å
292R93.1Very high92.7Very high140 Ų14055.7 Ų55.753%0.52830%0.299SS..  trans-75.8126.5-174.1-59-172-178.1-169.3-1.9112.5A289 D290 F355 P356 L357A289-R292 WeakPolarHBondContact O-CG 3.19Å; A289-R292 PolarHBondContact O-NE 3.18Å; D290-R292 VanDerWaalsContact C-N 3.25Å; D290-R292 PolarHBondContact O-N 3.05Å; R292-F355 WeakPolarHBondContact O-CD1 3.46Å; R292-P356 HydrophobicContact CB-CB 4.11Å; R292-P356 WeakPolarHBondContact O-CA 3.45Å; R292-L357 PolarHBondContact O-N 2.96Å
293I96.9Very high92.8Very high2 Ų256 Ų561%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-117.9127.2174.1-50179.5000109.1C308 F355 L357 L509 A557 V559 W560I293-C308 HydrophobicContact CD1-CB 3.73Å; I293-F355 HydrophobicContact CG1-CE1 4.23Å; I293-L357 HydrophobicContact CG1-CB 4.43Å; I293-L357 HydrophobicContact CG1-CD1 4.34Å; I293-L357 HydrophobicContact CG2-CB 4.35Å; I293-L509 HydrophobicContact CD1-CD1 4.48Å; I293-A557 HydrophobicContact CD1-CB 4.09Å; I293-V559 HydrophobicContact CB-CG2 4.25Å; I293-V559 HydrophobicContact CG2-CG1 4.2Å; I293-V559 HydrophobicContact CG2-CG2 4.05Å; I293-V559 WeakPolarHBondContact O-CA 3.43Å; I293-W560 PolarHBondContact O-N 3.01Å
294R96.7Very high92.9Very high121 Ų12155.7 Ų55.746%0.45730%0.299SS..EExtended strand (participates in β ladder)trans-111.3144.4178.1-66.5-175.8177.6170.5-1.8111.5L357 L358 Y359 W560 A562R294-L357 PolarHBondContact N-O 3.3Å; R294-L358 HydrophobicContact CB-CD1 3.92Å; R294-Y359 PolarHBondContact O-N 3.05Å; R294-W560 CarbonylContact C-O 3.48Å; R294-W560 WeakPolarHBondContact CA-O 3.16Å; R294-A562 HydrophobicContact CB-CB 4.43Å
295W97.2Very high93.1Very high14 Ų1458.6 Ų58.65%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-115.2126.1176.818099.6000109.1S297 V299 A300 P304 Y359 V559 W560 T561 A562 K568W295-S297 VanDerWaalsContact CZ3-CA 3.47Å; W295-V299 HydrophobicContact CD2-CG1 4.32Å; W295-V299 HydrophobicContact CZ2-CG1 3.8Å; W295-V299 VanDerWaalsContact NE1-CG1 3.28Å; W295-A300 HydrophobicContact CH2-CB 4.02Å; W295-A300 HydrophobicContact CZ2-CB 4.18Å; W295-P304 PolarHBondContact NE1-O 2.84Å; W295-Y359 AromaticContact CD1-CD1 3.72Å; W295-V559 HydrophobicContact CB-CG1 3.74Å; W295-W560 PolarHBondContact N-O 3.42Å; W295-T561 HydrophobicContact CE3-CG2 4.04Å; W295-T561 CarbonylContact O-C 3.6Å; W295-T561 WeakPolarHBondContact O-CA 3.37Å; W295-A562 WeakPolarHBondContact O-CB 3.49Å; W295-A562 PolarHBondContact O-N 2.85Å; W295-K568 HydrophobicContact CB-CG 4.33Å; W295-K568 HydrophobicContact CD2-CD 4.29Å; W295-K568 HydrophobicContact CD2-CG 4.24Å; W295-K568 HydrophobicContact CE3-CD 4.42Å; W295-K568 HydrophobicContact CG-CG 4.02Å
296S95.3Very high93.4Very high15 Ų1555.1 Ų55.111%0.10529%0.293CS..  trans-98.8143177.11740000111.3E298 V299 Y359 T360S296-E298 PolarHBondContact O-N 2.85Å; S296-E298 VanDerWaalsContact O-N 3.14Å; S296-E298 WeakPolarHBondContact OG-CG 3.39Å; S296-E298 PolarHBondContact OG-N 3.07Å; S296-V299 VanDerWaalsContact O-CG1 3.29Å; S296-V299 WeakPolarHBondContact O-CG1 3.35Å; S296-V299 PolarHBondContact O-N 2.95Å; S296-Y359 PolarHBondContact N-O 2.85Å; S296-T360 WeakPolarHBondContact CB-OG1 3.3Å; S296-T360 PolarHBondContact OG-OG1 3.32Å
297S94.5Very high93.7Very high51 Ų5150.3 Ų50.336%0.35726%0.263SS..G310 helixtrans-56-24.3173.142.40000114W295 V299 A300 D563W295-S297 VanDerWaalsContact CZ3-CA 3.47Å; S297-V299 PolarHBondContact O-N 3.11Å; S297-V299 VanDerWaalsContact O-N 3.1Å; S297-A300 WeakPolarHBondContact O-CB 3.43Å; S297-A300 PolarHBondContact O-N 3.25Å; S297-D563 WeakPolarHBondContact CB-OD2 3.32Å; S297-D563 PolarHBondContact OG-OD2 3.1Å
298E93.5Very high94.3Very high88 Ų8848.7 Ų48.741%0.41125%0.252SS..G310 helixtrans-57.6-26.5176.7-64.7-60.6143.400113.7S296 A300 A361 K476S296-E298 PolarHBondContact O-N 2.85Å; S296-E298 VanDerWaalsContact O-N 3.14Å; S296-E298 WeakPolarHBondContact OG-CG 3.39Å; S296-E298 PolarHBondContact OG-N 3.07Å; E298-A300 VanDerWaalsContact C-N 3.35Å; E298-A361 WeakPolarHBondContact O-CB 3.41Å; E298-K476 IonicContact OE2-NZ 3.19Å; E298-K476 PolarHBondContact OE2-NZ 2.97Å
299V94.3Very high94.6Very high0 Ų045.7 Ų45.70%024%0.236CC..G310 helixtrans-85.9-6.3-179.883.80000113.7W295 S296 S297 D301 V302 R303 Y359 A361 A478W295-V299 HydrophobicContact CD2-CG1 4.32Å; W295-V299 HydrophobicContact CZ2-CG1 3.8Å; W295-V299 VanDerWaalsContact NE1-CG1 3.28Å; S296-V299 VanDerWaalsContact O-CG1 3.29Å; S296-V299 WeakPolarHBondContact O-CG1 3.35Å; S296-V299 PolarHBondContact O-N 2.95Å; S297-V299 PolarHBondContact O-N 3.11Å; S297-V299 VanDerWaalsContact O-N 3.1Å; V299-D301 VanDerWaalsContact C-N 3.35Å; V299-D301 PolarHBondContact O-N 2.85Å; V299-V302 PolarHBondContact O-N 2.73Å; V299-V302 VanDerWaalsContact O-N 3.17Å; V299-R303 CarbonylContact O-C 3.56Å; V299-R303 PolarHBondContact O-N 2.75Å; V299-Y359 HydrophobicContact CB-CD1 4.46Å; V299-Y359 HydrophobicContact CB-CE1 4.23Å; V299-Y359 HydrophobicContact CG1-CD1 3.79Å; V299-Y359 HydrophobicContact CG1-CE1 3.67Å; V299-Y359 HydrophobicContact CG2-CD1 4.19Å; V299-Y359 HydrophobicContact CG2-CE1 3.6Å; V299-Y359 HydrophobicContact CG2-CE2 4.44Å; V299-A361 HydrophobicContact CB-CB 4.3Å; V299-A361 HydrophobicContact CG2-CB 4.24Å; V299-A478 HydrophobicContact CG2-CB 3.71Å
300A93.6Very high95.2Very high36 Ų3642.7 Ų42.730%0.29821%0.211SC..THydrogen-bonded Turntrans-56.7-44.5-17200000113W295 S297 E298 V302 P304W295-A300 HydrophobicContact CH2-CB 4.02Å; W295-A300 HydrophobicContact CZ2-CB 4.18Å; S297-A300 WeakPolarHBondContact O-CB 3.43Å; S297-A300 PolarHBondContact O-N 3.25Å; E298-A300 VanDerWaalsContact C-N 3.35Å; A300-V302 VanDerWaalsContact C-N 3.35Å; A300-P304 WeakPolarHBondContact O-CB 3.42Å; A300-P304 WeakPolarHBondContact O-CD 3.48Å; A300-P304 WeakPolarHBondContact O-CG 3.18Å
301D92.1Very high95.6Very high145 Ų14537 Ų3778%0.77518%0.181SC*.THydrogen-bonded Turntrans-90.60.5-175.7-60.2-35.7000113.7V299 R474V299-D301 VanDerWaalsContact C-N 3.35Å; V299-D301 PolarHBondContact O-N 2.85Å; D301-R474 PolarHBondContact O-NH1 3.27Å
302V92.1Very high95.6Very high29 Ų2938 Ų3818%0.17619%0.185CC..THydrogen-bonded Turntrans-109-61.5-176.5-174.70000110.8V299 A300 A361 K476 A478V299-V302 PolarHBondContact O-N 2.73Å; V299-V302 VanDerWaalsContact O-N 3.17Å; A300-V302 VanDerWaalsContact C-N 3.35Å; V302-A361 HydrophobicContact CB-CB 4.32Å; V302-A361 HydrophobicContact CG2-CB 3.88Å; V302-K476 HydrophobicContact CG2-CB 4.16Å; V302-A478 HydrophobicContact CG1-CB 4.08Å
303R94.6Very high95.4Very high7 Ų734.3 Ų34.33%0.02619%0.19CC..  trans-158.575-177.8-165.7171.8-170.277.2-4.8109.8V299 Y305 T344 Y359 A478 T513 S514 S515V299-R303 CarbonylContact O-C 3.56Å; V299-R303 PolarHBondContact O-N 2.75Å; R303-Y305 VanDerWaalsContact C-N 3.35Å; R303-Y305 PolarHBondContact O-N 3.24Å; R303-T344 PolarHBondContact NH2-OG1 2.86Å; R303-T344 VanDerWaalsContact NH2-OG1 3.16Å; R303-Y359 WeakPolarHBondContact O-CE1 3.38Å; R303-Y359 PolarHBondContact O-OH 3.21Å; R303-A478 HydrophobicContact CB-CB 4.03Å; R303-T513 PolarHBondContact NE-O 2.82Å; R303-T513 PolarHBondContact NE-OG1 2.99Å; R303-T513 PolarHBondContact NH2-O 3.03Å; R303-S514 WeakPolarHBondContact CG-O 3.41Å; R303-S515 PolarHBondContact NH1-OG 3.38Å
304P95.5Very high95Very high24 Ų2434.5 Ų34.516%0.15619%0.191CC..  trans-68.2-26.4-162.520-30.9000115.2W295 A300W295-P304 PolarHBondContact NE1-O 2.84Å; A300-P304 WeakPolarHBondContact O-CB 3.42Å; A300-P304 WeakPolarHBondContact O-CD 3.48Å; A300-P304 WeakPolarHBondContact O-CG 3.18Å
305Y97.8Very high94.4Very high69 Ų6934.1 Ų34.127%0.27120%0.198SC..EExtended strand (participates in β ladder)trans-97124.9-168.5-53.3-70.4000111.2R303 T513 S514 E516 S517 F518R303-Y305 VanDerWaalsContact C-N 3.35Å; R303-Y305 PolarHBondContact O-N 3.24Å; Y305-T513 CarbonylContact O-C 3.08Å; Y305-T513 WeakPolarHBondContact O-CA 3.44Å; Y305-S514 WeakPolarHBondContact CB-O 3.34Å; Y305-S514 WeakPolarHBondContact CD2-O 3.33Å; Y305-S514 PolarHBondContact N-O 3.19Å; Y305-S514 PolarHBondContact O-N 3.21Å; Y305-E516 VanDerWaalsContact CE2-O 3.24Å; Y305-E516 WeakPolarHBondContact CE2-O 3.49Å; Y305-S517 VanDerWaalsContact CD2-N 3.34Å; Y305-F518 HydrophobicContact CD1-CD1 4.02Å; Y305-F518 AromaticContact CD1-CD2 3.5Å; Y305-F518 HydrophobicContact CD1-CD2 3.5Å; Y305-F518 HydrophobicContact CD1-CE1 4.04Å; Y305-F518 AromaticContact CD1-CE2 3.54Å; Y305-F518 HydrophobicContact CD1-CE2 3.54Å; Y305-F518 AromaticContact CD1-CG 3.75Å; Y305-F518 HydrophobicContact CD1-CG 3.75Å; Y305-F518 AromaticContact CD1-CZ 3.8Å; Y305-F518 HydrophobicContact CD1-CZ 3.8Å; Y305-F518 AromaticContact CE1-CD2 3.83Å; Y305-F518 HydrophobicContact CE1-CD2 3.83Å; Y305-F518 AromaticContact CE1-CE2 3.89Å; Y305-F518 HydrophobicContact CE1-CE2 3.89Å; Y305-F518 HydrophobicContact CE1-CG 4.44Å
306I98.1Very high93.8Very high0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans-136.8134.3171.5-173.9169.2000109.8Y359 V512 T513 V559 S569I306-Y359 HydrophobicContact CB-CD1 3.96Å; I306-Y359 HydrophobicContact CB-CE1 3.93Å; I306-Y359 HydrophobicContact CB-CG 4.45Å; I306-Y359 HydrophobicContact CD1-CD1 4.11Å; I306-Y359 HydrophobicContact CD1-CD2 3.77Å; I306-Y359 HydrophobicContact CD1-CE1 4.5Å; I306-Y359 HydrophobicContact CD1-CE2 4.21Å; I306-Y359 HydrophobicContact CD1-CG 3.71Å; I306-Y359 HydrophobicContact CG2-CD1 3.59Å; I306-Y359 HydrophobicContact CG2-CE1 3.98Å; I306-Y359 HydrophobicContact CG2-CG 4.19Å; I306-V512 WeakPolarHBondContact CA-O 3.07Å; I306-T513 HydrophobicContact CB-CG2 4.18Å; I306-T513 HydrophobicContact CD1-CG2 4.04Å; I306-T513 HydrophobicContact CG1-CG2 3.93Å; I306-V559 HydrophobicContact CG2-CG1 4.07Å; I306-V559 HydrophobicContact CG2-CG2 4.48Å; I306-S569 PolarHBondContact O-OG 3.45Å
307I97.9Very high93Very high2 Ų235.8 Ų35.81%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-129.4150.4163.972.6-179.7000108.6V512 F518 C521 K522 M525 Y571I307-V512 HydrophobicContact CG1-CB 4.05Å; I307-V512 PolarHBondContact N-O 3.08Å; I307-V512 PolarHBondContact O-N 3.25Å; I307-F518 HydrophobicContact CG2-CD1 3.85Å; I307-F518 HydrophobicContact CG2-CE1 4.35Å; I307-C521 HydrophobicContact CD1-CB 3.69Å; I307-C521 WeakPolarHBondContact CD1-O 3.2Å; I307-C521 HydrophobicContact CG1-CB 3.82Å; I307-C521 HydrophobicContact CG2-CB 4.08Å; I307-K522 HydrophobicContact CD1-CB 4.41Å; I307-K522 HydrophobicContact CD1-CG 4.02Å; I307-M525 HydrophobicContact CD1-CB 3.81Å; I307-M525 HydrophobicContact CD1-CE 4.45Å; I307-M525 HydrophobicContact CD1-CG 4.35Å; I307-M525 HydrophobicContact CG1-CE 4.03Å; I307-Y571 HydrophobicContact CD1-CD2 4.19Å; I307-Y571 HydrophobicContact CD1-CG 4.24Å
308C98Very high92.5Very high1 Ų136.6 Ų36.61%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-134.4159.4178-57.60000110.7I293 L509 V510 A557 Y571I293-C308 HydrophobicContact CD1-CB 3.73Å; C308-L509 HydrophobicContact CB-CD1 4.1Å; C308-V510 CarbonylContact C-O 3.05Å; C308-V510 WeakPolarHBondContact CA-O 3.35Å; C308-A557 HydrophobicContact CB-CB 3.75Å; C308-A557 WeakPolarHBondContact O-CB 3.46Å; C308-Y571 VanDerWaalsContact O-O 3.13Å
309C97.6Very high92.2Very high0 Ų037.9 Ų37.90%022%0.215CC..EExtended strand (participates in β ladder)trans-149162.5158.359.40000109.5V510 Y571C309-V510 PolarHBondContact N-O 3.07Å; C309-V510 PolarHBondContact O-N 2.92Å; C309-Y571 HydrophobicContact CB-CD1 3.97Å; C309-Y571 HydrophobicContact CB-CE1 4.43Å
310I98Very high91.8Very high1 Ų140.8 Ų40.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-108.2122.5173.3-65.2165.5000108.3H291 K312 L350 V508 L509 L554 E555H291-I310 HydrophobicContact CB-CD1 4.1Å; H291-I310 WeakPolarHBondContact ND1-CD1 3.42Å; I310-K312 HydrophobicContact CG2-CG 3.99Å; I310-L350 HydrophobicContact CD1-CD1 3.81Å; I310-L350 HydrophobicContact CD1-CD2 4.44Å; I310-L350 HydrophobicContact CG1-CD1 4.1Å; I310-L350 HydrophobicContact CG2-CD1 4.4Å; I310-L350 HydrophobicContact CG2-CD2 3.71Å; I310-V508 WeakPolarHBondContact CA-O 3.4Å; I310-L509 HydrophobicContact CG1-CB 4.48Å; I310-L509 HydrophobicContact CG1-CD1 3.9Å; I310-L554 CarbonylContact O-C 3.43Å; I310-L554 WeakPolarHBondContact O-CA 3.47Å; I310-E555 HydrophobicContact CB-CB 4.11Å; I310-E555 PolarHBondContact N-O 3.13Å; I310-E555 VanDerWaalsContact N-O 3.07Å; I310-E555 PolarHBondContact O-N 2.92Å
311V96.9Very high91.5Very high1 Ų139.1 Ų39.11%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-94.8119.4174-176.60000107.8L314 D507 V508 V510 F528 I529 L532 L554V311-L314 HydrophobicContact CB-CD1 4.46Å; V311-L314 HydrophobicContact CG1-CD1 4.06Å; V311-L314 HydrophobicContact CG1-CD2 3.82Å; V311-L314 HydrophobicContact CG1-CG 3.92Å; V311-D507 CarbonylContact O-C 3.51Å; V311-D507 WeakPolarHBondContact O-CA 3.32Å; V311-V508 PolarHBondContact N-O 3.45Å; V311-V508 PolarHBondContact O-N 3.16Å; V311-V510 HydrophobicContact CG2-CG2 3.72Å; V311-F528 HydrophobicContact CG2-CE1 4.49Å; V311-I529 HydrophobicContact CG2-CD1 4.1Å; V311-L532 HydrophobicContact CG1-CD2 3.64Å; V311-L532 HydrophobicContact CG2-CD2 4.28Å; V311-L554 HydrophobicContact CB-CD2 4.24Å; V311-L554 HydrophobicContact CG1-CD2 4.24Å; V311-L554 HydrophobicContact CG2-CD2 3.71Å
312K94.8Very high91.4Very high52 Ų5233.4 Ų33.423%0.22619%0.191CC..EExtended strand (participates in β ladder)trans-104.7153.7-179.2-62.3-178.2-179.3168.10112.5E285 I310 D507 T553 E555E285-K312 IonicContact OE2-NZ 3.73Å; E285-K312 PolarHBondContact OE2-NZ 2.99Å; I310-K312 HydrophobicContact CG2-CG 3.99Å; K312-D507 WeakPolarHBondContact CA-OD1 3.49Å; K312-D507 VanDerWaalsContact CB-OD1 3.31Å; K312-D507 WeakPolarHBondContact CB-OD1 3.1Å; K312-D507 HydrophobicContact CG-CB 4.46Å; K312-T553 HydrophobicContact CB-CG2 4.3Å; K312-T553 HydrophobicContact CD-CG2 4.21Å; K312-T553 PolarHBondContact N-O 2.93Å; K312-E555 WeakPolarHBondContact CE-OE2 3.16Å; K312-E555 IonicContact NZ-OE2 2.72Å; K312-E555 PolarHBondContact NZ-OE2 2.73Å
313G87Confident91.4Very high63 Ų6337.9 Ų37.965%0.64921%0.208SC*.  trans75.227171.600000114.7T506 D507G313-T506 PolarHBondContact N-O 3.25Å; G313-D507 PolarHBondContact N-OD1 3.18Å
314L89.2Confident91.1Very high5 Ų539.4 Ų39.43%0.02622%0.222CC..  trans-69.6142.7168.5-60.8-179.8000110.2V311 F316 T506 V508 L532 L536V311-L314 HydrophobicContact CB-CD1 4.46Å; V311-L314 HydrophobicContact CG1-CD1 4.06Å; V311-L314 HydrophobicContact CG1-CD2 3.82Å; V311-L314 HydrophobicContact CG1-CG 3.92Å; L314-F316 HydrophobicContact CB-CE2 4.36Å; L314-F316 HydrophobicContact CB-CZ 4.33Å; L314-F316 HydrophobicContact CD1-CZ 4.14Å; L314-T506 WeakPolarHBondContact CB-O 3.34Å; L314-T506 PolarHBondContact N-O 3.5Å; L314-T506 WeakPolarHBondContact O-CA 3.5Å; L314-V508 HydrophobicContact CD1-CB 4.05Å; L314-V508 HydrophobicContact CD1-CG2 3.65Å; L314-L532 HydrophobicContact CD2-CD1 4Å; L314-L532 HydrophobicContact CD2-CD2 4.21Å; L314-L536 HydrophobicContact CD2-CD1 4.03Å; L314-L536 HydrophobicContact CD2-CD2 4.28Å
315N84.2Confident90.9Very high113 Ų11338.3 Ų38.360%0.60421%0.214SC*.  trans-135100.7178.2-172.8-6.1000110.1T317N315-T317 PolarHBondContact O-N 2.89Å
316F85.7Confident90.6Very high11 Ų1138.6 Ų38.65%0.04822%0.22CC..  trans-85.186.5175.8-57.9-63.3000110.1L314 D318 S321 L322 F325 V501 S502 L503 T505L314-F316 HydrophobicContact CB-CE2 4.36Å; L314-F316 HydrophobicContact CB-CZ 4.33Å; L314-F316 HydrophobicContact CD1-CZ 4.14Å; F316-D318 PolarHBondContact O-N 3.41Å; F316-S321 VanDerWaalsContact CA-OG 3.25Å; F316-S321 WeakPolarHBondContact CA-OG 3.32Å; F316-L322 HydrophobicContact CB-CB 4.4Å; F316-L322 HydrophobicContact CD1-CB 4.33Å; F316-L322 HydrophobicContact CD1-CD1 4.27Å; F316-L322 HydrophobicContact CD2-CD1 4.31Å; F316-L322 HydrophobicContact CE1-CD1 4.37Å; F316-L322 HydrophobicContact CE2-CD1 4.4Å; F316-L322 HydrophobicContact CG-CB 4.41Å; F316-L322 HydrophobicContact CG-CD1 4.24Å; F316-L322 HydrophobicContact CZ-CD1 4.42Å; F316-F325 HydrophobicContact CE1-CB 3.7Å; F316-F325 HydrophobicContact CE1-CD1 4.01Å; F316-F325 HydrophobicContact CE1-CD2 4.14Å; F316-F325 AromaticContact CE1-CG 3.69Å; F316-F325 HydrophobicContact CE1-CG 3.69Å; F316-F325 HydrophobicContact CZ-CB 4.42Å; F316-F325 AromaticContact CZ-CD1 3.87Å; F316-F325 HydrophobicContact CZ-CD1 3.87Å; F316-F325 HydrophobicContact CZ-CD2 4.26Å; F316-F325 HydrophobicContact CZ-CE1 4.14Å; F316-F325 AromaticContact CZ-CG 3.93Å; F316-F325 HydrophobicContact CZ-CG 3.93Å; F316-F325 HydrophobicContact CZ-CZ 4.46Å; F316-V501 HydrophobicContact CE2-CG1 3.72Å; F316-V501 HydrophobicContact CZ-CG1 4.11Å; F316-S502 WeakPolarHBondContact CD2-O 3.43Å; F316-L503 HydrophobicContact CB-CD2 4.24Å; F316-T505 WeakPolarHBondContact CD2-O 3.47Å
317T77.9Confident90.3Very high54 Ų5446.1 Ų46.133%0.33125%0.253SS..  trans-69.1-22.7-170.557.80000113.7N315 S321 H539N315-T317 PolarHBondContact O-N 2.89Å; T317-S321 PolarHBondContact N-OG 3.12Å; T317-H539 PolarHBondContact OG1-CE1 3.24Å
318D83.5Confident90Very high68 Ų6846.7 Ų46.736%0.36426%0.256SS..SBendtrans-154.5172.9177.466.422.6000111.8F316 S320 S321 L322 L503 H539F316-D318 PolarHBondContact O-N 3.41Å; D318-S320 VanDerWaalsContact CG-OG 3.27Å; D318-S320 PolarHBondContact O-N 3.4Å; D318-S320 VanDerWaalsContact OD1-CA 3.3Å; D318-S320 WeakPolarHBondContact OD1-CA 3.43Å; D318-S320 VanDerWaalsContact OD1-CB 3.26Å; D318-S320 WeakPolarHBondContact OD1-CB 3.48Å; D318-S320 PolarHBondContact OD1-N 3.16Å; D318-S320 PolarHBondContact OD1-OG 3.42Å; D318-S320 PolarHBondContact OD2-OG 2.95Å; D318-S321 PolarHBondContact N-OG 3.11Å; D318-S321 PolarHBondContact O-N 3.03Å; D318-S321 PolarHBondContact O-OG 3.13Å; D318-S321 PolarHBondContact OD1-N 3.07Å; D318-L322 PolarHBondContact O-N 2.88Å; D318-L503 WeakPolarHBondContact O-CD2 3.27Å; D318-H539 IonicContact OD1-NE2 3.3Å
319E88.3Confident89.8Confident115 Ų11547.4 Ų47.454%0.53726%0.259SS..Hα-helixtrans-59.6-26.6175.2-73.2-163175.900113.8K323 L503E319-K323 VanDerWaalsContact O-CB 3.25Å; E319-K323 WeakPolarHBondContact O-CB 3.31Å; E319-K323 WeakPolarHBondContact O-CG 3.34Å; E319-K323 PolarHBondContact O-N 3.1Å; E319-K323 IonicContact OE2-NZ 2.82Å; E319-K323 PolarHBondContact OE2-NZ 3.05Å; E319-L503 HydrophobicContact CG-CD1 4.31Å
320S85.4Confident89.4Confident61 Ų6151.1 Ų51.143%0.42728%0.282SS..Hα-helixtrans-70.6-39.2-178.290.10000111.1D318 K323 A324D318-S320 VanDerWaalsContact CG-OG 3.27Å; D318-S320 PolarHBondContact O-N 3.4Å; D318-S320 VanDerWaalsContact OD1-CA 3.3Å; D318-S320 WeakPolarHBondContact OD1-CA 3.43Å; D318-S320 VanDerWaalsContact OD1-CB 3.26Å; D318-S320 WeakPolarHBondContact OD1-CB 3.48Å; D318-S320 PolarHBondContact OD1-N 3.16Å; D318-S320 PolarHBondContact OD1-OG 3.42Å; D318-S320 PolarHBondContact OD2-OG 2.95Å; S320-K323 PolarHBondContact O-N 3.43Å; S320-A324 VanDerWaalsContact O-CB 3.29Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; S320-A324 PolarHBondContact O-N 2.97Å
321S87.2Confident89.1Confident1 Ų154.4 Ų54.41%0.00730%0.296CS..Hα-helixtrans-63.3-49.2175.471.80000110.7F316 T317 D318 K323 A324 F325 H535 H539F316-S321 VanDerWaalsContact CA-OG 3.25Å; F316-S321 WeakPolarHBondContact CA-OG 3.32Å; T317-S321 PolarHBondContact N-OG 3.12Å; D318-S321 PolarHBondContact N-OG 3.11Å; D318-S321 PolarHBondContact O-N 3.03Å; D318-S321 PolarHBondContact O-OG 3.13Å; D318-S321 PolarHBondContact OD1-N 3.07Å; S321-K323 PolarHBondContact O-N 3.24Å; S321-A324 PolarHBondContact O-N 3.11Å; S321-F325 PolarHBondContact O-N 3.39Å; S321-H535 PolarHBondContact O-CE1 3.03Å; S321-H535 PolarHBondContact O-NE2 2.83Å; S321-H539 WeakPolarHBondContact CB-NE2 3.44Å
322L90.4Very high88.9Confident24 Ų2454.4 Ų54.413%0.12630%0.296CS..Hα-helixtrans-63.4-45177.2-179.262000111.5F316 D318 A324 F325 L326 V501 L503F316-L322 HydrophobicContact CB-CB 4.4Å; F316-L322 HydrophobicContact CD1-CB 4.33Å; F316-L322 HydrophobicContact CD1-CD1 4.27Å; F316-L322 HydrophobicContact CD2-CD1 4.31Å; F316-L322 HydrophobicContact CE1-CD1 4.37Å; F316-L322 HydrophobicContact CE2-CD1 4.4Å; F316-L322 HydrophobicContact CG-CB 4.41Å; F316-L322 HydrophobicContact CG-CD1 4.24Å; F316-L322 HydrophobicContact CZ-CD1 4.42Å; D318-L322 PolarHBondContact O-N 2.88Å; L322-A324 VanDerWaalsContact C-N 3.28Å; L322-A324 PolarHBondContact O-N 3.05Å; L322-F325 PolarHBondContact O-N 3.27Å; L322-L326 HydrophobicContact CD1-CD1 4.46Å; L322-L326 HydrophobicContact CD1-CG 4.43Å; L322-L326 HydrophobicContact CG-CD1 4.26Å; L322-L326 VanDerWaalsContact O-CG 3.32Å; L322-L326 WeakPolarHBondContact O-CG 3.15Å; L322-L326 PolarHBondContact O-N 3.12Å; L322-V501 HydrophobicContact CD1-CG1 3.91Å; L322-L503 HydrophobicContact CB-CD2 3.96Å; L322-L503 HydrophobicContact CD2-CD2 3.96Å; L322-L503 HydrophobicContact CD2-CG 4.12Å
323K90.4Very high88.8Confident124 Ų12452.8 Ų52.854%0.53929%0.289SS..Hα-helixtrans-60.3-38.2175.3-77169.9-170.4162.20111.6E319 S320 S321 K327E319-K323 VanDerWaalsContact O-CB 3.25Å; E319-K323 WeakPolarHBondContact O-CB 3.31Å; E319-K323 WeakPolarHBondContact O-CG 3.34Å; E319-K323 PolarHBondContact O-N 3.1Å; E319-K323 IonicContact OE2-NZ 2.82Å; E319-K323 PolarHBondContact OE2-NZ 3.05Å; S320-K323 PolarHBondContact O-N 3.43Å; S321-K323 PolarHBondContact O-N 3.24Å; K323-K327 WeakPolarHBondContact O-CB 3.23Å; K323-K327 PolarHBondContact O-N 3.08Å
324A88.5Confident88.9Confident38 Ų3853.4 Ų53.431%0.31428%0.278SS..Hα-helixtrans-68.2-42177.100000112.2S320 S321 L322 K327 M328 H535S320-A324 VanDerWaalsContact O-CB 3.29Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; S320-A324 PolarHBondContact O-N 2.97Å; S321-A324 PolarHBondContact O-N 3.11Å; L322-A324 VanDerWaalsContact C-N 3.28Å; L322-A324 PolarHBondContact O-N 3.05Å; A324-K327 PolarHBondContact O-N 3.15Å; A324-M328 WeakPolarHBondContact O-CB 3.36Å; A324-M328 PolarHBondContact O-N 3.47Å; A324-H535 VanDerWaalsContact CB-CE1 3.42Å; A324-H535 WeakPolarHBondContact CB-CE1 3.37Å
325F92.2Very high88.9Confident1 Ų156.9 Ų56.90%0.00430%0.3CS..Hα-helixtrans-58.7-45.8171.9174.8-102000112.3F316 S321 L322 M328 Q329 T347 V501 F528 L532F316-F325 HydrophobicContact CE1-CB 3.7Å; F316-F325 HydrophobicContact CE1-CD1 4.01Å; F316-F325 HydrophobicContact CE1-CD2 4.14Å; F316-F325 AromaticContact CE1-CG 3.69Å; F316-F325 HydrophobicContact CE1-CG 3.69Å; F316-F325 HydrophobicContact CZ-CB 4.42Å; F316-F325 AromaticContact CZ-CD1 3.87Å; F316-F325 HydrophobicContact CZ-CD1 3.87Å; F316-F325 HydrophobicContact CZ-CD2 4.26Å; F316-F325 HydrophobicContact CZ-CE1 4.14Å; F316-F325 AromaticContact CZ-CG 3.93Å; F316-F325 HydrophobicContact CZ-CG 3.93Å; F316-F325 HydrophobicContact CZ-CZ 4.46Å; S321-F325 PolarHBondContact O-N 3.39Å; L322-F325 PolarHBondContact O-N 3.27Å; F325-M328 WeakPolarHBondContact O-CB 3.42Å; F325-M328 PolarHBondContact O-N 2.89Å; F325-Q329 PolarHBondContact O-N 2.87Å; F325-T347 HydrophobicContact CZ-CG2 4.07Å; F325-V501 HydrophobicContact CE1-CG1 4.18Å; F325-F528 HydrophobicContact CE2-CE2 4.37Å; F325-F528 AromaticContact CE2-CZ 3.91Å; F325-F528 HydrophobicContact CE2-CZ 3.91Å; F325-F528 HydrophobicContact CZ-CZ 4.16Å; F325-L532 HydrophobicContact CD2-CD1 4.07Å; F325-L532 HydrophobicContact CE2-CD1 4.08Å
326L91.6Very high89.2Confident75 Ų7552.8 Ų52.839%0.39328%0.279SS..Hα-helixtrans-67.8-37.7177-64.6174.8000112.5L322 M328 Q329 T330L322-L326 HydrophobicContact CD1-CD1 4.46Å; L322-L326 HydrophobicContact CD1-CG 4.43Å; L322-L326 HydrophobicContact CG-CD1 4.26Å; L322-L326 VanDerWaalsContact O-CG 3.32Å; L322-L326 WeakPolarHBondContact O-CG 3.15Å; L322-L326 PolarHBondContact O-N 3.12Å; L326-M328 VanDerWaalsContact C-N 3.31Å; L326-M328 PolarHBondContact O-N 3.13Å; L326-Q329 PolarHBondContact O-N 3.13Å; L326-T330 PolarHBondContact O-N 2.91Å; L326-T330 VanDerWaalsContact O-N 3.1Å; L326-T330 PolarHBondContact O-OG1 3.17Å; L326-T330 VanDerWaalsContact O-OG1 3.06Å
327K90.6Very high89.5Confident158 Ų15852.3 Ų52.369%0.68728%0.276SS*.Hα-helixtrans-67.9-32.8177.5-167.5175.4-173.9176.20112K323 A324 T330 K331K323-K327 WeakPolarHBondContact O-CB 3.23Å; K323-K327 PolarHBondContact O-N 3.08Å; A324-K327 PolarHBondContact O-N 3.15Å; K327-T330 PolarHBondContact O-N 2.93Å; K327-K331 WeakPolarHBondContact O-CB 3.31Å; K327-K331 PolarHBondContact O-N 3.29Å
328M92.7Very high90Very high14 Ų1455.2 Ų55.27%0.06929%0.286CS..Hα-helixtrans-60.4-48.3171.8177.7-155.5-53.600111.3A324 F325 L326 T330 K331 L332 Y531 L532 H535A324-M328 WeakPolarHBondContact O-CB 3.36Å; A324-M328 PolarHBondContact O-N 3.47Å; F325-M328 WeakPolarHBondContact O-CB 3.42Å; F325-M328 PolarHBondContact O-N 2.89Å; L326-M328 VanDerWaalsContact C-N 3.31Å; L326-M328 PolarHBondContact O-N 3.13Å; M328-T330 VanDerWaalsContact C-N 3.33Å; M328-T330 PolarHBondContact O-N 2.86Å; M328-K331 WeakPolarHBondContact O-CB 3.44Å; M328-K331 PolarHBondContact O-N 3.43Å; M328-L332 HydrophobicContact CG-CD1 4.32Å; M328-L332 WeakPolarHBondContact O-CG 3.35Å; M328-L332 PolarHBondContact O-N 2.98Å; M328-Y531 VanDerWaalsContact CE-O 3.31Å; M328-Y531 WeakPolarHBondContact CE-O 3.27Å; M328-Y531 HydrophobicContact CG-CD1 4.09Å; M328-Y531 HydrophobicContact CG-CG 4.25Å; M328-L532 HydrophobicContact SD-CB 4.49Å; M328-H535 HydrophobicContact CE-CB 3.3Å
329Q93Very high90.3Very high16 Ų1655.7 Ų55.78%0.07529%0.285CS..Hα-helixtrans-59-45.1176.3-65.8-175.146.400111.8F325 L326 K331 L332 H333 T347 F528F325-Q329 PolarHBondContact O-N 2.87Å; L326-Q329 PolarHBondContact O-N 3.13Å; Q329-K331 VanDerWaalsContact C-N 3.3Å; Q329-K331 PolarHBondContact O-N 3.04Å; Q329-L332 PolarHBondContact O-N 2.79Å; Q329-L332 VanDerWaalsContact O-N 3.17Å; Q329-H333 PolarHBondContact O-N 3.05Å; Q329-T347 VanDerWaalsContact NE2-CG2 3.34Å; Q329-T347 PolarHBondContact NE2-OG1 3.45Å; Q329-T347 PolarHBondContact OE1-OG1 3.12Å; Q329-F528 HydrophobicContact CG-CE2 3.94Å
330T90.4Very high90.5Very high79 Ų7953.3 Ų53.349%0.48527%0.271SS..Hα-helixtrans-58.5-43.2176.6-53.30000111.3L326 K327 M328 L332 H333 D334L326-T330 PolarHBondContact O-N 2.91Å; L326-T330 VanDerWaalsContact O-N 3.1Å; L326-T330 PolarHBondContact O-OG1 3.17Å; L326-T330 VanDerWaalsContact O-OG1 3.06Å; K327-T330 PolarHBondContact O-N 2.93Å; M328-T330 VanDerWaalsContact C-N 3.33Å; M328-T330 PolarHBondContact O-N 2.86Å; T330-L332 PolarHBondContact O-N 2.74Å; T330-H333 WeakPolarHBondContact O-CB 3.16Å; T330-H333 PolarHBondContact O-N 3.32Å; T330-D334 PolarHBondContact O-N 3.45Å
331K91Very high90.7Very high69 Ų6951.8 Ų51.830%0.326%0.259SS..Hα-helixtrans-62-43.8176.6-173-172.1-177.5-161.40111.8K327 M328 Q329 D334 T335 Y531K327-K331 WeakPolarHBondContact O-CB 3.31Å; K327-K331 PolarHBondContact O-N 3.29Å; M328-K331 WeakPolarHBondContact O-CB 3.44Å; M328-K331 PolarHBondContact O-N 3.43Å; Q329-K331 VanDerWaalsContact C-N 3.3Å; Q329-K331 PolarHBondContact O-N 3.04Å; K331-D334 PolarHBondContact O-N 2.96Å; K331-T335 WeakPolarHBondContact O-CG2 3.24Å; K331-T335 PolarHBondContact O-N 3.07Å; K331-T335 PolarHBondContact O-OG1 3.08Å; K331-T335 VanDerWaalsContact O-OG1 3.09Å; K331-Y531 HydrophobicContact CD-CE1 4.01Å; K331-Y531 PolarHBondContact NZ-OH 3.36Å
332L93.1Very high90.9Very high2 Ų251.8 Ų51.81%0.0126%0.259CS..Hα-helixtrans-66.3-39.3178.3-68.6170.2000111.7M328 Q329 T330 D334 T335 V336 C337 I345 L527 F528 Y531M328-L332 HydrophobicContact CG-CD1 4.32Å; M328-L332 WeakPolarHBondContact O-CG 3.35Å; M328-L332 PolarHBondContact O-N 2.98Å; Q329-L332 PolarHBondContact O-N 2.79Å; Q329-L332 VanDerWaalsContact O-N 3.17Å; T330-L332 PolarHBondContact O-N 2.74Å; L332-D334 VanDerWaalsContact C-N 3.3Å; L332-D334 PolarHBondContact O-N 3.18Å; L332-T335 PolarHBondContact O-N 3.1Å; L332-V336 HydrophobicContact CB-CG1 4.19Å; L332-V336 HydrophobicContact CD2-CG1 4Å; L332-V336 WeakPolarHBondContact O-CG1 3.41Å; L332-V336 PolarHBondContact O-N 3.36Å; L332-V336 VanDerWaalsContact O-N 3.08Å; L332-C337 WeakPolarHBondContact O-CB 3.41Å; L332-C337 PolarHBondContact O-N 3.18Å; L332-C337 VanDerWaalsContact O-N 3.08Å; L332-I345 HydrophobicContact CB-CD1 3.56Å; L332-I345 HydrophobicContact CD1-CD1 3.81Å; L332-I345 HydrophobicContact CG-CD1 4.33Å; L332-L527 HydrophobicContact CD2-CB 4.22Å; L332-F528 HydrophobicContact CD1-CB 3.97Å; L332-F528 HydrophobicContact CD1-CD2 4.01Å; L332-F528 HydrophobicContact CD1-CG 4.46Å; L332-Y531 HydrophobicContact CD2-CD2 4.13Å; L332-Y531 HydrophobicContact CD2-CE2 4.29Å
333H92.6Very high91Very high17 Ų1750.7 Ų50.78%0.07925%0.254CS..Hα-helixtrans-55.5-44.9170.7-77.7174.3000111.4Q329 T330 C337 K339 R340 I345Q329-H333 PolarHBondContact O-N 3.05Å; T330-H333 WeakPolarHBondContact O-CB 3.16Å; T330-H333 PolarHBondContact O-N 3.32Å; H333-C337 WeakPolarHBondContact O-CB 3.29Å; H333-K339 WeakPolarHBondContact O-CA 3.48Å; H333-K339 PolarHBondContact O-N 3.03Å; H333-R340 HydrophobicContact CB-CG 4.18Å; H333-R340 PolarHBondContact ND1-NE 3.36Å; H333-R340 VanDerWaalsContact ND1-NE 3.13Å; H333-I345 PolarHBondContact CE1-O 3.5Å; H333-I345 PolarHBondContact NE2-N 2.76Å; H333-I345 PolarHBondContact NE2-O 2.77Å
334D88.3Confident91.3Very high76 Ų7645 Ų4541%0.40623%0.23SC..Hα-helixtrans-70.6-34.7179.8-76.7-25.6000113.7T330 K331 L332T330-D334 PolarHBondContact O-N 3.45Å; K331-D334 PolarHBondContact O-N 2.96Å; L332-D334 VanDerWaalsContact C-N 3.3Å; L332-D334 PolarHBondContact O-N 3.18Å
335T90.1Very high91.7Very high79 Ų7943.4 Ų43.449%0.48522%0.215SC..THydrogen-bonded Turntrans-95.4-81.4-174.762.10000113.1K331 L332 C337 Q338K331-T335 WeakPolarHBondContact O-CG2 3.24Å; K331-T335 PolarHBondContact O-N 3.07Å; K331-T335 PolarHBondContact O-OG1 3.08Å; K331-T335 VanDerWaalsContact O-OG1 3.09Å; L332-T335 PolarHBondContact O-N 3.1Å; T335-C337 PolarHBondContact O-N 3.11Å; T335-Q338 PolarHBondContact O-N 2.8Å
336V90.6Very high92Very high27 Ų2743.4 Ų43.416%0.16422%0.216CC..THydrogen-bonded Turntrans-72.9-32.9-168.761.70000111.5L332 Q338 R523 I524 L527L332-V336 HydrophobicContact CB-CG1 4.19Å; L332-V336 HydrophobicContact CD2-CG1 4Å; L332-V336 WeakPolarHBondContact O-CG1 3.41Å; L332-V336 PolarHBondContact O-N 3.36Å; L332-V336 VanDerWaalsContact O-N 3.08Å; V336-Q338 PolarHBondContact O-N 3.06Å; V336-R523 HydrophobicContact CG2-CG 4.47Å; V336-I524 HydrophobicContact CG1-CG1 4.06Å; V336-I524 HydrophobicContact CG2-CG1 3.79Å; V336-L527 HydrophobicContact CB-CD1 3.96Å; V336-L527 HydrophobicContact CG1-CD1 4.28Å; V336-L527 HydrophobicContact CG2-CD1 3.62Å
337C91Very high92.2Very high0 Ų040.3 Ų40.30%020%0.2CC..THydrogen-bonded Turntrans-79.7-0.6177.3-67.20000113.5L332 H333 T335 K339 R340 V341 A342 G343L332-C337 WeakPolarHBondContact O-CB 3.41Å; L332-C337 PolarHBondContact O-N 3.18Å; L332-C337 VanDerWaalsContact O-N 3.08Å; H333-C337 WeakPolarHBondContact O-CB 3.29Å; T335-C337 PolarHBondContact O-N 3.11Å; C337-K339 VanDerWaalsContact C-N 3.32Å; C337-K339 PolarHBondContact O-N 3.13Å; C337-R340 CarbonylContact O-C 3.13Å; C337-R340 WeakPolarHBondContact O-CA 3.45Å; C337-R340 PolarHBondContact O-N 2.98Å; C337-V341 PolarHBondContact O-N 3.4Å; C337-A342 PolarHBondContact O-N 3.11Å; C337-G343 WeakPolarHBondContact CB-O 3.4Å; C337-G343 PolarHBondContact SG-O 3.33Å; C337-G343 VanDerWaalsContact SG-O 3.41Å
338Q89.4Confident92.5Very high115 Ų11532.8 Ų32.854%0.53717%0.167SC..THydrogen-bonded Turntrans49.249.9-177.7-56.5-177.218.900113T335 V336 R340 V341 A342T335-Q338 PolarHBondContact O-N 2.8Å; V336-Q338 PolarHBondContact O-N 3.06Å; Q338-R340 VanDerWaalsContact C-N 3.34Å; Q338-R340 PolarHBondContact O-N 2.98Å; Q338-V341 HydrophobicContact CB-CB 4.37Å; Q338-V341 WeakPolarHBondContact O-CB 3.46Å; Q338-V341 WeakPolarHBondContact O-CG2 3.19Å; Q338-V341 PolarHBondContact O-N 3.06Å; Q338-A342 HydrophobicContact CB-CB 4.12Å; Q338-A342 HydrophobicContact CG-CB 3.97Å
339K89.3Confident92.7Very high78 Ų7832.4 Ų32.434%0.33917%0.165SC..THydrogen-bonded Turntrans57.647.1-176.6-54.2175.4-170166.40112.1H333 C337 V341 G463 I464H333-K339 WeakPolarHBondContact O-CA 3.48Å; H333-K339 PolarHBondContact O-N 3.03Å; C337-K339 VanDerWaalsContact C-N 3.32Å; C337-K339 PolarHBondContact O-N 3.13Å; K339-V341 PolarHBondContact O-N 2.69Å; K339-G463 WeakPolarHBondContact CB-O 3.36Å; K339-G463 VanDerWaalsContact CD-O 3.3Å; K339-G463 WeakPolarHBondContact CD-O 3.28Å; K339-I464 HydrophobicContact CD-CG2 4.48Å
340R91.7Very high92.9Very high65 Ų6532.7 Ų32.725%0.24517%0.168CC..THydrogen-bonded Turntrans67.310.1-179.3-48.8-179.7-176.1175.23.3116H333 C337 Q338 G343 Y467 P492 I493H333-R340 HydrophobicContact CB-CG 4.18Å; H333-R340 PolarHBondContact ND1-NE 3.36Å; H333-R340 VanDerWaalsContact ND1-NE 3.13Å; C337-R340 CarbonylContact O-C 3.13Å; C337-R340 WeakPolarHBondContact O-CA 3.45Å; C337-R340 PolarHBondContact O-N 2.98Å; Q338-R340 VanDerWaalsContact C-N 3.34Å; Q338-R340 PolarHBondContact O-N 2.98Å; R340-G343 WeakPolarHBondContact CA-O 3.47Å; R340-Y467 HydrophobicContact CB-CD1 4.35Å; R340-Y467 HydrophobicContact CB-CG 4.32Å; R340-P492 HydrophobicContact CB-CB 4.11Å; R340-P492 VanDerWaalsContact CD-O 3.3Å; R340-P492 WeakPolarHBondContact CD-O 3.09Å; R340-P492 PolarHBondContact NH1-O 3.01Å; R340-I493 PolarHBondContact NH1-O 3.46Å
341V90.1Very high93.1Very high29 Ų2935.3 Ų35.318%0.17617%0.172CC..THydrogen-bonded Turntrans-74.1-54.8176.1178.20000110.3C337 Q338 K339 Q466 L470C337-V341 PolarHBondContact O-N 3.4Å; Q338-V341 HydrophobicContact CB-CB 4.37Å; Q338-V341 WeakPolarHBondContact O-CB 3.46Å; Q338-V341 WeakPolarHBondContact O-CG2 3.19Å; Q338-V341 PolarHBondContact O-N 3.06Å; K339-V341 PolarHBondContact O-N 2.69Å; V341-Q466 HydrophobicContact CG2-CB 4.07Å; V341-Q466 HydrophobicContact CG2-CG 3.86Å; V341-L470 HydrophobicContact CG1-CD1 4.42Å
342A90.9Very high93.3Very high2 Ų235.7 Ų35.72%0.01718%0.177CC..SBendtrans-74.2-35.2-176.500000112.9C337 Q338 S514 E516 T520C337-A342 PolarHBondContact O-N 3.11Å; Q338-A342 HydrophobicContact CB-CB 4.12Å; Q338-A342 HydrophobicContact CG-CB 3.97Å; A342-S514 WeakPolarHBondContact O-CB 3.39Å; A342-S514 PolarHBondContact O-OG 3.16Å; A342-E516 WeakPolarHBondContact CA-OE1 3.35Å; A342-E516 VanDerWaalsContact CB-OE1 3.31Å; A342-E516 WeakPolarHBondContact CB-OE1 3.4Å; A342-T520 HydrophobicContact CB-CG2 4.32Å; A342-T520 WeakPolarHBondContact O-CG2 3.29Å
343G94.3Very high93.3Very high0 Ų036.2 Ų36.20%018%0.18CC..  trans-165.8162.818000000112.5C337 R340 T513C337-G343 WeakPolarHBondContact CB-O 3.4Å; C337-G343 PolarHBondContact SG-O 3.33Å; C337-G343 VanDerWaalsContact SG-O 3.41Å; R340-G343 WeakPolarHBondContact CA-O 3.47Å; G343-T513 CarbonylContact C-O 3.32Å; G343-T513 WeakPolarHBondContact CA-O 3.39Å
344T96.3Very high93.3Very high6 Ų638.6 Ų38.64%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-132.1121.6-179.1-52.10000109.1R303 P492 V512 T513R303-T344 PolarHBondContact NH2-OG1 2.86Å; R303-T344 VanDerWaalsContact NH2-OG1 3.16Å; T344-P492 HydrophobicContact CG2-CB 4.43Å; T344-P492 WeakPolarHBondContact OG1-CA 3.06Å; T344-P492 WeakPolarHBondContact OG1-CB 3.26Å; T344-V512 WeakPolarHBondContact O-CA 3.42Å; T344-T513 PolarHBondContact N-O 2.88Å; T344-T513 PolarHBondContact O-N 3.3Å
345I97.5Very high93.7Very high3 Ų337 Ų372%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-87.8135.9169.4-56.1161.3000108.5L332 H333 T347 V510 E511 V512 I524 F528L332-I345 HydrophobicContact CB-CD1 3.56Å; L332-I345 HydrophobicContact CD1-CD1 3.81Å; L332-I345 HydrophobicContact CG-CD1 4.33Å; H333-I345 PolarHBondContact CE1-O 3.5Å; H333-I345 PolarHBondContact NE2-N 2.76Å; H333-I345 PolarHBondContact NE2-O 2.77Å; I345-T347 HydrophobicContact CG2-CG2 4.48Å; I345-V510 HydrophobicContact CG2-CG1 4.31Å; I345-E511 WeakPolarHBondContact CA-O 3.41Å; I345-V512 HydrophobicContact CG1-CG2 4.19Å; I345-I524 HydrophobicContact CD1-CG2 3.69Å; I345-I524 HydrophobicContact CG1-CG2 3.4Å; I345-F528 HydrophobicContact CD1-CD2 4.39Å; I345-F528 HydrophobicContact CG2-CD2 4.01Å; I345-F528 HydrophobicContact CG2-CE2 4.25Å
346A96.7Very high93.9Very high2 Ų236.2 Ų36.22%0.01718%0.177CC..EExtended strand (participates in β ladder)trans-139141.3169.700000110.4N495 E511A346-N495 WeakPolarHBondContact CB-ND2 3.29Å; A346-N495 WeakPolarHBondContact CB-OD1 3.15Å; A346-E511 HydrophobicContact CB-CG 3.37Å; A346-E511 WeakPolarHBondContact CB-OE1 3.34Å; A346-E511 PolarHBondContact N-O 2.44Å; A346-E511 WeakPolarHBondContact O-CG 3.39Å; A346-E511 PolarHBondContact O-N 2.62Å
347T97.2Very high94.2Very high10 Ų1035 Ų356%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-125.2134.3-176.158.70000110.4F325 Q329 I345 N495 V508 L509 V510 F528F325-T347 HydrophobicContact CZ-CG2 4.07Å; Q329-T347 VanDerWaalsContact NE2-CG2 3.34Å; Q329-T347 PolarHBondContact NE2-OG1 3.45Å; Q329-T347 PolarHBondContact OE1-OG1 3.12Å; I345-T347 HydrophobicContact CG2-CG2 4.48Å; T347-N495 PolarHBondContact N-ND2 3.09Å; T347-N495 PolarHBondContact O-ND2 3.36Å; T347-V508 HydrophobicContact CG2-CG1 4.05Å; T347-L509 WeakPolarHBondContact CA-O 3.26Å; T347-V510 HydrophobicContact CG2-CG1 4.42Å; T347-V510 HydrophobicContact CG2-CG2 4.36Å; T347-F528 HydrophobicContact CG2-CE2 4.14Å; T347-F528 HydrophobicContact CG2-CZ 4.07Å
348H96.7Very high94.4Very high0 Ų037.1 Ų37.10%018%0.181CC..EExtended strand (participates in β ladder)trans-126.7135.9-175.6-55.4-83.4000109.8L350 V353 I488 N495 T499 V508 L509 E511H348-L350 PolarHBondContact O-N 2.8Å; H348-L350 VanDerWaalsContact O-N 3.15Å; H348-V353 HydrophobicContact CB-CG2 3.73Å; H348-I488 PolarHBondContact CE1-O 3.47Å; H348-N495 PolarHBondContact CE1-ND2 3.01Å; H348-N495 VanDerWaalsContact CE1-ND2 3.35Å; H348-T499 WeakPolarHBondContact CA-O 3.3Å; H348-T499 PolarHBondContact ND1-OG1 3Å; H348-V508 CarbonylContact O-C 3.6Å; H348-V508 VanDerWaalsContact O-CA 3.31Å; H348-V508 WeakPolarHBondContact O-CA 2.96Å; H348-L509 HydrophobicContact CB-CB 4.25Å; H348-L509 PolarHBondContact N-O 2.91Å; H348-L509 PolarHBondContact O-N 3.18Å; H348-E511 IonicContact NE2-OE1 2.7Å; H348-E511 IonicContact NE2-OE2 3.75Å
349D96.5Very high94.7Very high5 Ų531.6 Ų31.63%0.02716%0.155CC..EExtended strand (participates in β ladder)trans-63.9114168.4-172.4-30.2000108.9K351 L352 V353 T499 T505D349-K351 PolarHBondContact O-N 2.99Å; D349-K351 WeakPolarHBondContact OD1-CB 3.46Å; D349-K351 PolarHBondContact OD1-N 3.01Å; D349-L352 HydrophobicContact CB-CB 4.41Å; D349-L352 HydrophobicContact CB-CD1 3.97Å; D349-L352 HydrophobicContact CB-CG 4.11Å; D349-L352 PolarHBondContact O-N 2.78Å; D349-V353 WeakPolarHBondContact O-CG2 3.5Å; D349-V353 PolarHBondContact O-N 2.79Å; D349-T499 PolarHBondContact N-O 3.39Å; D349-T505 HydrophobicContact CB-CG2 3.9Å; D349-T505 VanDerWaalsContact CG-OG1 3.31Å; D349-T505 WeakPolarHBondContact OD2-CB 3.18Å; D349-T505 PolarHBondContact OD2-OG1 2.9Å
350L96.3Very high95Very high23 Ų2328.3 Ų28.312%0.1214%0.141CC..G310 helixtrans-58.7-33.2-174.1-172.670.9000111.9I310 H348 L352 V353 F355 D507 L509I310-L350 HydrophobicContact CD1-CD1 3.81Å; I310-L350 HydrophobicContact CD1-CD2 4.44Å; I310-L350 HydrophobicContact CG1-CD1 4.1Å; I310-L350 HydrophobicContact CG2-CD1 4.4Å; I310-L350 HydrophobicContact CG2-CD2 3.71Å; H348-L350 PolarHBondContact O-N 2.8Å; H348-L350 VanDerWaalsContact O-N 3.15Å; L350-L352 PolarHBondContact O-N 3.2Å; L350-V353 PolarHBondContact O-N 3.22Å; L350-V353 VanDerWaalsContact O-N 3.17Å; L350-F355 HydrophobicContact CD1-CE2 3.87Å; L350-F355 HydrophobicContact CD1-CZ 4.09Å; L350-D507 HydrophobicContact CB-CB 3.97Å; L350-D507 VanDerWaalsContact CB-O 3.27Å; L350-D507 WeakPolarHBondContact CB-O 3.49Å; L350-D507 HydrophobicContact CD2-CB 3.73Å; L350-D507 PolarHBondContact N-O 2.82Å; L350-L509 HydrophobicContact CD1-CB 4.17Å
351K95.1Very high95.1Very high133 Ų13325.3 Ų25.358%0.57813%0.13SC*.G310 helixtrans-65.3-22.2-179.8-64.5175.8-176.5164.30112.8D349 T506D349-K351 PolarHBondContact O-N 2.99Å; D349-K351 WeakPolarHBondContact OD1-CB 3.46Å; D349-K351 PolarHBondContact OD1-N 3.01Å; K351-T506 WeakPolarHBondContact CE-OG1 3.36Å; K351-T506 PolarHBondContact NZ-OG1 3.39Å
352L94.8Very high95Very high78 Ų7824.6 Ų24.641%0.40813%0.126SC..G310 helixtrans-99.4-6.6-178.5-56.2179.5000112.4D349 L350 K498 T499D349-L352 HydrophobicContact CB-CB 4.41Å; D349-L352 HydrophobicContact CB-CD1 3.97Å; D349-L352 HydrophobicContact CB-CG 4.11Å; D349-L352 PolarHBondContact O-N 2.78Å; L350-L352 PolarHBondContact O-N 3.2Å; L352-K498 VanDerWaalsContact CD1-O 3.31Å; L352-K498 WeakPolarHBondContact CD1-O 3.36Å; L352-T499 HydrophobicContact CB-CG2 4.41Å
353V94Very high94.8Very high13 Ų1326.6 Ų26.68%0.07914%0.138CC..  trans-86.5131.6179.5175.90000109.6H348 D349 L350 F355 L357 I488 T499 L509H348-V353 HydrophobicContact CB-CG2 3.73Å; D349-V353 WeakPolarHBondContact O-CG2 3.5Å; D349-V353 PolarHBondContact O-N 2.79Å; L350-V353 PolarHBondContact O-N 3.22Å; L350-V353 VanDerWaalsContact O-N 3.17Å; V353-F355 HydrophobicContact CB-CE2 4.38Å; V353-F355 HydrophobicContact CG1-CD2 4.14Å; V353-F355 HydrophobicContact CG1-CE2 3.77Å; V353-F355 HydrophobicContact CG1-CZ 3.99Å; V353-L357 HydrophobicContact CG1-CD1 3.94Å; V353-L357 HydrophobicContact CG1-CD2 3.76Å; V353-L357 HydrophobicContact CG1-CG 4.29Å; V353-I488 HydrophobicContact CG1-CD1 4.42Å; V353-T499 HydrophobicContact CG2-CG2 3.92Å; V353-L509 HydrophobicContact CG1-CD2 4.32Å; V353-L509 HydrophobicContact CG2-CD2 4.44Å
354Q93.1Very high94Very high66 Ų6632.6 Ų32.631%0.30816%0.161SC..  trans-108.4112176.3-59.1-175.49.200111.1L357 D482 A483 E484Q354-L357 WeakPolarHBondContact O-CD2 3.36Å; Q354-D482 HydrophobicContact CB-CB 4.23Å; Q354-D482 WeakPolarHBondContact O-CB 3.44Å; Q354-A483 HydrophobicContact CB-CB 4.09Å; Q354-A483 PolarHBondContact O-N 3.33Å; Q354-E484 PolarHBondContact NE2-OE1 2.87Å; Q354-E484 PolarHBondContact NE2-OE2 2.93Å; Q354-E484 PolarHBondContact OE1-OE1 3.1Å; Q354-E484 PolarHBondContact OE1-OE2 2.8Å
355F95.3Very high92.7Very high44 Ų4437.2 Ų37.219%0.19319%0.186CC..SBendtrans-83.7152.6177-69.1-87.8000111.8D290 H291 R292 I293 L350 V353 L357 A483D290-F355 VanDerWaalsContact O-CB 3.23Å; D290-F355 WeakPolarHBondContact O-CB 3.14Å; H291-F355 VanDerWaalsContact C-CD1 3.46Å; H291-F355 HydrophobicContact CB-CD1 4.28Å; H291-F355 HydrophobicContact CB-CE1 3.86Å; H291-F355 HydrophobicContact CB-CE2 4.27Å; H291-F355 HydrophobicContact CB-CZ 3.86Å; H291-F355 AromaticContact CD2-CD2 3.67Å; H291-F355 AromaticContact CD2-CE2 3.37Å; H291-F355 WeakPolarHBondContact CD2-CE2 3.36Å; H291-F355 AromaticContact CD2-CZ 3.84Å; H291-F355 AromaticContact CG-CE2 3.99Å; H291-F355 AromaticContact CG-CZ 3.98Å; R292-F355 WeakPolarHBondContact O-CD1 3.46Å; I293-F355 HydrophobicContact CG1-CE1 4.23Å; L350-F355 HydrophobicContact CD1-CE2 3.87Å; L350-F355 HydrophobicContact CD1-CZ 4.09Å; V353-F355 HydrophobicContact CB-CE2 4.38Å; V353-F355 HydrophobicContact CG1-CD2 4.14Å; V353-F355 HydrophobicContact CG1-CE2 3.77Å; V353-F355 HydrophobicContact CG1-CZ 3.99Å; F355-L357 HydrophobicContact CD1-CD1 4.02Å; F355-L357 HydrophobicContact CD1-CD2 4.47Å; F355-L357 HydrophobicContact CD1-CG 3.65Å; F355-L357 HydrophobicContact CE1-CD1 3.55Å; F355-L357 HydrophobicContact CE1-CG 3.75Å; F355-L357 HydrophobicContact CG-CG 4.44Å; F355-L357 HydrophobicContact CZ-CD1 4.15Å; F355-A483 WeakPolarHBondContact O-CB 3.31Å
356P95Very high91.3Very high61 Ų6140.3 Ų40.340%0.39620%0.2SC..SBendcis-76.9150.74.532.7-36.4000113R292 D482 A483R292-P356 HydrophobicContact CB-CB 4.11Å; R292-P356 WeakPolarHBondContact O-CA 3.45Å; P356-D482 CarbonylContact O-C 3.58Å; P356-A483 PolarHBondContact O-N 3.1Å
357L96.2Very high89.5Confident1 Ų140.2 Ų40.21%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-94.9145.7174-56-179.5000111.2R292 I293 R294 V353 Q354 F355 L480 L481 D482 I488 L509R292-L357 PolarHBondContact O-N 2.96Å; I293-L357 HydrophobicContact CG1-CB 4.43Å; I293-L357 HydrophobicContact CG1-CD1 4.34Å; I293-L357 HydrophobicContact CG2-CB 4.35Å; R294-L357 PolarHBondContact N-O 3.3Å; V353-L357 HydrophobicContact CG1-CD1 3.94Å; V353-L357 HydrophobicContact CG1-CD2 3.76Å; V353-L357 HydrophobicContact CG1-CG 4.29Å; Q354-L357 WeakPolarHBondContact O-CD2 3.36Å; F355-L357 HydrophobicContact CD1-CD1 4.02Å; F355-L357 HydrophobicContact CD1-CD2 4.47Å; F355-L357 HydrophobicContact CD1-CG 3.65Å; F355-L357 HydrophobicContact CE1-CD1 3.55Å; F355-L357 HydrophobicContact CE1-CG 3.75Å; F355-L357 HydrophobicContact CG-CG 4.44Å; F355-L357 HydrophobicContact CZ-CD1 4.15Å; L357-L480 HydrophobicContact CB-CD1 4Å; L357-L480 HydrophobicContact CD1-CD2 4.16Å; L357-L481 CarbonylContact C-O 3.44Å; L357-L481 VanDerWaalsContact CA-O 3.23Å; L357-L481 WeakPolarHBondContact CA-O 3.48Å; L357-D482 HydrophobicContact CD2-CB 4.1Å; L357-I488 HydrophobicContact CD1-CD1 4.43Å; L357-I488 HydrophobicContact CD2-CD1 3.93Å; L357-L509 HydrophobicContact CD1-CD2 3.59Å
358L95.9Very high86.9Confident45 Ų4541.6 Ų41.624%0.23621%0.209CC..EExtended strand (participates in β ladder)trans-126.3112.1174.617764.6000110.4R294 T360 L481 A562R294-L358 HydrophobicContact CB-CD1 3.92Å; L358-T360 HydrophobicContact CD2-CG2 4.44Å; L358-T360 HydrophobicContact CG-CG2 4.36Å; L358-L481 HydrophobicContact CB-CB 4.26Å; L358-L481 HydrophobicContact CB-CD1 4.45Å; L358-L481 HydrophobicContact CD2-CD1 4.05Å; L358-L481 HydrophobicContact CG-CD1 4.36Å; L358-L481 PolarHBondContact N-O 3.29Å; L358-L481 PolarHBondContact O-N 3.1Å; L358-A562 HydrophobicContact CD1-CB 4.47Å
359Y96.9Very high84.1Confident0 Ų045.2 Ų45.20%023%0.226CC..EExtended strand (participates in β ladder)trans-88.6113.9169.4-173.7-116.6000109.3R294 W295 S296 V299 R303 I306 A478 C479 L480 P491 T513R294-Y359 PolarHBondContact O-N 3.05Å; W295-Y359 AromaticContact CD1-CD1 3.72Å; S296-Y359 PolarHBondContact N-O 2.85Å; V299-Y359 HydrophobicContact CB-CD1 4.46Å; V299-Y359 HydrophobicContact CB-CE1 4.23Å; V299-Y359 HydrophobicContact CG1-CD1 3.79Å; V299-Y359 HydrophobicContact CG1-CE1 3.67Å; V299-Y359 HydrophobicContact CG2-CD1 4.19Å; V299-Y359 HydrophobicContact CG2-CE1 3.6Å; V299-Y359 HydrophobicContact CG2-CE2 4.44Å; R303-Y359 WeakPolarHBondContact O-CE1 3.38Å; R303-Y359 PolarHBondContact O-OH 3.21Å; I306-Y359 HydrophobicContact CB-CD1 3.96Å; I306-Y359 HydrophobicContact CB-CE1 3.93Å; I306-Y359 HydrophobicContact CB-CG 4.45Å; I306-Y359 HydrophobicContact CD1-CD1 4.11Å; I306-Y359 HydrophobicContact CD1-CD2 3.77Å; I306-Y359 HydrophobicContact CD1-CE1 4.5Å; I306-Y359 HydrophobicContact CD1-CE2 4.21Å; I306-Y359 HydrophobicContact CD1-CG 3.71Å; I306-Y359 HydrophobicContact CG2-CD1 3.59Å; I306-Y359 HydrophobicContact CG2-CE1 3.98Å; I306-Y359 HydrophobicContact CG2-CG 4.19Å; Y359-A478 HydrophobicContact CE2-CB 4.38Å; Y359-C479 WeakPolarHBondContact CA-O 3.45Å; Y359-L480 HydrophobicContact CD2-CD1 4.39Å; Y359-P491 HydrophobicContact CE2-CG 4.06Å; Y359-T513 HydrophobicContact CE2-CG2 3.94Å
360T94.9Very high81.2Confident8 Ų847.8 Ų47.85%0.04924%0.242CC..EExtended strand (participates in β ladder)trans-144.4179.2-174.1-169.40000110.5S296 L358 L362 A478 C479 L481S296-T360 WeakPolarHBondContact CB-OG1 3.3Å; S296-T360 PolarHBondContact OG-OG1 3.32Å; L358-T360 HydrophobicContact CD2-CG2 4.44Å; L358-T360 HydrophobicContact CG-CG2 4.36Å; T360-L362 HydrophobicContact CG2-CD2 4.17Å; T360-L362 HydrophobicContact CG2-CG 4.18Å; T360-A478 CarbonylContact O-C 3.51Å; T360-A478 WeakPolarHBondContact O-CA 3.27Å; T360-C479 PolarHBondContact N-O 3.05Å; T360-C479 PolarHBondContact O-N 2.88Å; T360-L481 HydrophobicContact CG2-CD1 3.59Å; T360-L481 HydrophobicContact CG2-CG 4.37Å
361A92.9Very high78.5Confident2 Ų252.7 Ų52.72%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-120.5131.8162.700000110.5E298 V299 V302 K476 Y477E298-A361 WeakPolarHBondContact O-CB 3.41Å; V299-A361 HydrophobicContact CB-CB 4.3Å; V299-A361 HydrophobicContact CG2-CB 4.24Å; V302-A361 HydrophobicContact CB-CB 4.32Å; V302-A361 HydrophobicContact CG2-CB 3.88Å; A361-K476 HydrophobicContact CB-CB 3.95Å; A361-K476 HydrophobicContact CB-CD 4.5Å; A361-Y477 CarbonylContact C-O 3.47Å; A361-Y477 WeakPolarHBondContact CA-O 3.2Å
362L88.8Confident75.7Confident15 Ų1551.8 Ų51.88%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-107.8146.2178.1-62.8175.5000110.2T360 E366 I367 K476 Y477 L481T360-L362 HydrophobicContact CG2-CD2 4.17Å; T360-L362 HydrophobicContact CG2-CG 4.18Å; L362-E366 HydrophobicContact CB-CB 4.47Å; L362-I367 HydrophobicContact CB-CD1 4.18Å; L362-I367 HydrophobicContact CB-CG1 4.03Å; L362-I367 HydrophobicContact CD1-CG1 4.09Å; L362-K476 CarbonylContact O-C 3.22Å; L362-K476 WeakPolarHBondContact O-CA 3.4Å; L362-K476 WeakPolarHBondContact O-CB 3.36Å; L362-Y477 PolarHBondContact N-O 3.15Å; L362-Y477 PolarHBondContact O-N 3.47Å; L362-L481 HydrophobicContact CD1-CD2 4.44Å
363P86Confident72.9Confident43 Ų4352.4 Ų52.428%0.27926%0.264SS..EExtended strand (participates in β ladder)trans-49.4142.3167.1-24.834.2000110.7D365 E366P363-D365 PolarHBondContact O-N 2.77Å; P363-E366 HydrophobicContact CB-CB 4.48Å; P363-E366 HydrophobicContact CB-CG 4.17Å; P363-E366 WeakPolarHBondContact CD-OE2 3.47Å; P363-E366 HydrophobicContact CG-CG 4.18Å; P363-E366 PolarHBondContact O-N 3.41Å
364R77.8Confident70.2Confident127 Ų12754.5 Ų54.548%0.47928%0.278SS..G310 helixtrans-53.1-32.5-176.975.1-177.9-173.2-176.3-1.8112.9V439 E475 Y477R364-V439 HydrophobicContact CB-CG2 3.51Å; R364-V439 HydrophobicContact CG-CG2 3.75Å; R364-V439 WeakPolarHBondContact O-CG2 3.37Å; R364-E475 PolarHBondContact N-O 3.19Å; R364-Y477 HydrophobicContact CB-CD2 4.02Å; R364-Y477 HydrophobicContact CB-CE2 3.56Å
365D69.3Low67.7Low103 Ų10354 Ų5455%0.55128%0.277SS*.G310 helixtrans-82.1-18.2-176.8-56.8-42.7000113.4P363 I367 V424P363-D365 PolarHBondContact O-N 2.77Å; D365-I367 VanDerWaalsContact C-N 3.29Å; D365-I367 PolarHBondContact O-N 2.95Å; D365-V424 VanDerWaalsContact O-CG1 3.27Å; D365-V424 WeakPolarHBondContact O-CG1 3.08Å
366E67.9Low65.1Low67 Ų6755.1 Ų55.131%0.31329%0.288SS..G310 helixtrans-82.3-2.7178.3-72.9-175.1-167.800113.5L362 P363 V422 V424 R425L362-E366 HydrophobicContact CB-CB 4.47Å; P363-E366 HydrophobicContact CB-CB 4.48Å; P363-E366 HydrophobicContact CB-CG 4.17Å; P363-E366 WeakPolarHBondContact CD-OE2 3.47Å; P363-E366 HydrophobicContact CG-CG 4.18Å; P363-E366 PolarHBondContact O-N 3.41Å; E366-V422 HydrophobicContact CG-CG1 4.02Å; E366-V424 CarbonylContact O-C 3.55Å; E366-V424 VanDerWaalsContact O-CA 3.31Å; E366-V424 WeakPolarHBondContact O-CA 3.28Å; E366-R425 PolarHBondContact O-N 2.93Å
367I59.6Low62.6Low0 Ų061.1 Ų61.10%030%0.304CS..SBendtrans-107.869.6173.7-46.2176.2000109.1L362 D365 R425 L427 T437 A438 Y477 V487 L490L362-I367 HydrophobicContact CB-CD1 4.18Å; L362-I367 HydrophobicContact CB-CG1 4.03Å; L362-I367 HydrophobicContact CD1-CG1 4.09Å; D365-I367 VanDerWaalsContact C-N 3.29Å; D365-I367 PolarHBondContact O-N 2.95Å; I367-R425 CarbonylContact C-O 2.9Å; I367-R425 WeakPolarHBondContact CA-O 3.37Å; I367-R425 WeakPolarHBondContact CG2-O 3.37Å; I367-L427 HydrophobicContact CG2-CD2 4.03Å; I367-T437 CarbonylContact O-C 3.56Å; I367-T437 WeakPolarHBondContact O-CA 3.46Å; I367-T437 WeakPolarHBondContact O-CB 3.41Å; I367-A438 HydrophobicContact CB-CB 3.69Å; I367-A438 HydrophobicContact CD1-CB 3.79Å; I367-A438 HydrophobicContact CG1-CB 4.31Å; I367-A438 HydrophobicContact CG2-CB 3.68Å; I367-A438 PolarHBondContact O-N 3.24Å; I367-Y477 HydrophobicContact CD1-CD2 4.47Å; I367-V487 HydrophobicContact CG2-CG2 4.29Å; I367-L490 HydrophobicContact CD1-CD1 4.1Å
368S41.5Very low59.9Low40 Ų4062.9 Ų62.928%0.2832%0.323SS..SBendtrans-156.8-167.6-174.8172.90000110.2V424 R425 T437S368-V424 VanDerWaalsContact N-CG1 3.3Å; S368-V424 CarbonylContact O-C 3.58Å; S368-V424 VanDerWaalsContact O-CA 3.32Å; S368-V424 WeakPolarHBondContact O-CA 3.41Å; S368-V424 WeakPolarHBondContact O-CB 3.07Å; S368-V424 WeakPolarHBondContact O-CG1 3.1Å; S368-R425 PolarHBondContact N-O 3.29Å; S368-R425 CarbonylContact O-C 3.58Å; S368-R425 PolarHBondContact O-N 2.84Å; S368-T437 VanDerWaalsContact CB-CG2 3.46Å; S368-T437 WeakPolarHBondContact OG-CG2 3.21Å
369H37.3Very low57.2Low75 Ų7563.5 Ų63.535%0.34734%0.34SS..  trans-81.1129.2-170.9-129.4-67.5000114.6Y371 V424 I426H369-Y371 HydrophobicContact CB-CE2 4.38Å; H369-Y371 PolarHBondContact O-N 2.98Å; H369-V424 VanDerWaalsContact O-CB 3.31Å; H369-V424 WeakPolarHBondContact O-CB 3.45Å; H369-V424 WeakPolarHBondContact O-CG2 3.34Å; H369-I426 HydrophobicContact CB-CD1 4.26Å; H369-I426 VanDerWaalsContact CD2-CD1 3.43Å; H369-I426 WeakPolarHBondContact CD2-CD1 3.42Å
370T35.7Very low54.4Low59 Ų5971.9 Ų71.936%0.36238%0.377SS..  trans-74.1108.9163.4-57.30000107.9L372 V424T370-L372 HydrophobicContact CG2-CD1 4.23Å; T370-V424 PolarHBondContact N-O 3.12Å; T370-V424 PolarHBondContact OG1-N 2.96Å; T370-V424 VanDerWaalsContact OG1-N 3.08Å; T370-V424 PolarHBondContact OG1-O 3.39Å
371Y40.3Very low51.8Low126 Ų12678 Ų7849%0.49440%0.403SS..  trans-87.9109.4153.5-67.6-67.6000106.4H369 L373 I391H369-Y371 HydrophobicContact CB-CE2 4.38Å; H369-Y371 PolarHBondContact O-N 2.98Å; Y371-L373 VanDerWaalsContact C-N 3.29Å; Y371-L373 PolarHBondContact O-N 2.84Å; Y371-I391 HydrophobicContact CD1-CG2 3.3Å; Y371-I391 HydrophobicContact CE1-CG2 3.71Å; Y371-I391 HydrophobicContact CG-CG2 4.24Å
372L37.1Very low49.1Very low114 Ų11484.1 Ų84.160%0.59744%0.442SS*.EExtended strand (participates in β ladder)trans-64.2101.9159-112.6105.8000106T370 C374T370-L372 HydrophobicContact CG2-CD1 4.23Å; L372-C374 PolarHBondContact O-N 2.76Å
373L36.3Very low46.8Very low92 Ų9287.5 Ų87.548%0.48248%0.48SS..EExtended strand (participates in β ladder)trans-77.694.5166.8-153.186.2000106.6Y371 I375 A389 I391Y371-L373 VanDerWaalsContact C-N 3.29Å; Y371-L373 PolarHBondContact O-N 2.84Å; L373-I375 HydrophobicContact CD2-CD1 4.09Å; L373-I375 HydrophobicContact CD2-CG1 3.8Å; L373-I375 HydrophobicContact CG-CG1 4.36Å; L373-I375 PolarHBondContact O-N 3.38Å; L373-I375 VanDerWaalsContact O-N 3.08Å; L373-A389 HydrophobicContact CD1-CB 3.98Å; L373-A389 HydrophobicContact CD2-CB 4.03Å; L373-A389 HydrophobicContact CG-CB 4.01Å; L373-I391 HydrophobicContact CD1-CG1 4.37Å
374C35.7Very low44.6Very low56 Ų5692 Ų9238%0.37850%0.495SS..EExtended strand (participates in β ladder)trans-71.9101.8164.8-900000107.3L372 T376 Q390L372-C374 PolarHBondContact O-N 2.76Å; C374-T376 PolarHBondContact O-N 3.34Å; C374-Q390 PolarHBondContact N-O 3.42Å; C374-Q390 VanDerWaalsContact N-O 3.09Å; C374-Q390 PolarHBondContact O-N 3.36Å
375I42.1Very low42.7Very low55 Ų5591 Ų9128%0.28250%0.499SS..EExtended strand (participates in β ladder)trans-80.5110.5166.4-55.5177.5000106.8L373 R388L373-I375 HydrophobicContact CD2-CD1 4.09Å; L373-I375 HydrophobicContact CD2-CG1 3.8Å; L373-I375 HydrophobicContact CG-CG1 4.36Å; L373-I375 PolarHBondContact O-N 3.38Å; L373-I375 VanDerWaalsContact O-N 3.08Å; I375-R388 WeakPolarHBondContact CA-O 3.3Å
376T39.6Very low41.5Very low68 Ų6891.8 Ų91.842%0.41750%0.495SS..EExtended strand (participates in β ladder)trans-98.9130.7167.744.20000108.8C374 G378 R388C374-T376 PolarHBondContact O-N 3.34Å; T376-G378 PolarHBondContact O-N 2.86Å; T376-R388 PolarHBondContact N-O 3.14Å; T376-R388 PolarHBondContact O-N 3.25Å
377Y42.1Very low40.3Very low187 Ų18793.6 Ų93.673%0.73351%0.505SS*.EExtended strand (participates in β ladder)trans-68.6112.1175.5-77.5-86.9000109.5
378G40.4Very low39.5Very low39 Ų39100.8 Ų100.840%0.40253%0.532SS..EExtended strand (participates in β ladder)trans-100.969.4-176.600000112.9T376 Y386T376-G378 PolarHBondContact O-N 2.86Å; G378-Y386 PolarHBondContact N-O 3.27Å; G378-Y386 WeakPolarHBondContact O-CB 3.32Å
379G40Very low39.4Very low58 Ų58101.9 Ų101.960%0.59854%0.544SS*.EExtended strand (participates in β ladder)trans71.1138.9166.100000116.8
380F36.4Very low39.6Very low176 Ų176102.4 Ų102.477%0.77255%0.546SS*.EExtended strand (participates in β ladder)trans-96.4125.5180-145-96.3000110.4L385F380-L385 HydrophobicContact CD2-CD1 4.45Å; F380-L385 HydrophobicContact CE2-CD1 3.96Å
381K41.1Very low39.8Very low137 Ų137104.4 Ų104.460%0.59655%0.554SS**EExtended strand (participates in β ladder)trans-116.7142.7158.7-81.3-173.2178.1-1800108.3G383 K384K381-G383 PolarHBondContact O-N 3.23Å; K381-G383 VanDerWaalsContact O-N 3.12Å; K381-K384 PolarHBondContact O-N 3.01Å; K381-K384 VanDerWaalsContact O-N 3.09Å
382P35.1Very low39.6Very low130 Ų130101.6 Ų101.684%0.84455%0.552SS**THydrogen-bonded Turntrans-56.4122.1179.7-17.328.7000110.1
383G42.6Very low39.6Very low85 Ų85101.2 Ų101.288%0.87655%0.547SS*.THydrogen-bonded Turntrans853.5179.100000117K381K381-G383 PolarHBondContact O-N 3.23Å; K381-G383 VanDerWaalsContact O-N 3.12Å
384K38.2Very low39.4Very low137 Ų137102.6 Ų102.660%0.59656%0.561SS**EExtended strand (participates in β ladder)trans-142.2120.5174-70.1-173.9179.91790112.1K381 Y386K381-K384 PolarHBondContact O-N 3.01Å; K381-K384 VanDerWaalsContact O-N 3.09Å; K384-Y386 HydrophobicContact CB-CD2 4.36Å; K384-Y386 HydrophobicContact CB-CE2 3.78Å; K384-Y386 HydrophobicContact CD-CE2 4.46Å
385L39.1Very low39.2Very low108 Ų108104.8 Ų104.857%0.56558%0.577SS**EExtended strand (participates in β ladder)trans-88.2123.3168.5-152.290.5000108.7F380 M387F380-L385 HydrophobicContact CD2-CD1 4.45Å; F380-L385 HydrophobicContact CE2-CD1 3.96Å; L385-M387 HydrophobicContact CD2-CG 4.12Å; L385-M387 HydrophobicContact CD2-SD 4.47Å
386Y43.7Very low38.7Very low119 Ų119110.3 Ų110.347%0.46760%0.602SS.*EExtended strand (participates in β ladder)trans-104.3113.9173.6-70.6-89.8000109G378 K384G378-Y386 PolarHBondContact N-O 3.27Å; G378-Y386 WeakPolarHBondContact O-CB 3.32Å; K384-Y386 HydrophobicContact CB-CD2 4.36Å; K384-Y386 HydrophobicContact CB-CE2 3.78Å; K384-Y386 HydrophobicContact CD-CE2 4.46Å
387M42.1Very low38.1Very low104 Ų104116.4 Ų116.451%0.51262%0.623SS.*EExtended strand (participates in β ladder)trans-100.3129.9171.8-69.9-167.7-76.100109.5L385L385-M387 HydrophobicContact CD2-CG 4.12Å; L385-M387 HydrophobicContact CD2-SD 4.47Å
388R42.9Very low37.4Very low151 Ų151115.8 Ų115.857%0.5763%0.632SS**EExtended strand (participates in β ladder)trans-105.9109.1170.3-170.3176.8-176.3164.10.3108.1I375 T376I375-R388 WeakPolarHBondContact CA-O 3.3Å; T376-R388 PolarHBondContact N-O 3.14Å; T376-R388 PolarHBondContact O-N 3.25Å
389A40.7Very low36.7Very low64 Ų64120.9 Ų120.953%0.52965%0.649SS.*EExtended strand (participates in β ladder)trans-87.6124.9169.600000108.9L373L373-A389 HydrophobicContact CD1-CB 3.98Å; L373-A389 HydrophobicContact CD2-CB 4.03Å; L373-A389 HydrophobicContact CG-CB 4.01Å
390Q40Very low36.3Very low85 Ų85121.3 Ų121.340%0.39765%0.653SS.*EExtended strand (participates in β ladder)trans-118.6122.6175.1-160.4167.2-16.100108.9C374C374-Q390 PolarHBondContact N-O 3.42Å; C374-Q390 VanDerWaalsContact N-O 3.09Å; C374-Q390 PolarHBondContact O-N 3.36Å
391I40.3Very low36Very low102 Ų102122 Ų12252%0.52366%0.659SS.*EExtended strand (participates in β ladder)trans-85.1113.7175.4-64.2170.7000107.7Y371 L373Y371-I391 HydrophobicContact CD1-CG2 3.3Å; Y371-I391 HydrophobicContact CE1-CG2 3.71Å; Y371-I391 HydrophobicContact CG-CG2 4.24Å; L373-I391 HydrophobicContact CD1-CG1 4.37Å
392C36.2Very low35.6Very low67 Ų67121.4 Ų121.445%0.45367%0.667SS.*EExtended strand (participates in β ladder)trans-92.6105.4173.1-73.60000110
393Q37Very low35.4Very low106 Ų106121.8 Ų121.850%0.49566%0.662SS.*  trans-87.1137.3162.6-76.8-170.5-40.700110S395 Q396Q393-S395 PolarHBondContact O-N 2.97Å; Q393-Q396 PolarHBondContact OE1-O 3.22Å
394P31.7Very low35.1Very low120 Ų120125.3 Ų125.378%0.77966%0.659SS**SBendtrans-78.2108.1158.427.6-19.5000107.5
395S31.7Very low34.7Very low102 Ų102127.7 Ų127.771%0.71367%0.67SS**SBendtrans83.3124.5177.779.20000117.1Q393Q393-S395 PolarHBondContact O-N 2.97Å
396Q31.8Very low34.5Very low172 Ų172126.6 Ų126.680%0.80467%0.671SS**  trans85.6112.9177.4-55.6-170-5.400117.2Q393Q393-Q396 PolarHBondContact OE1-O 3.22Å
397F26.8Very low33.8Very low196 Ų196126.4 Ų126.486%0.8669%0.687SS**  trans-69126.7177-88.8-106.2000111.8
398L27.5Very low33.5Very low174 Ų174131.1 Ų131.191%0.91170%0.701SS**  trans-160.5104.7146.2-107.5144000109.7G400L398-G400 PolarHBondContact O-N 2.94Å
399L27.2Very low33.3Very low145 Ų145129.3 Ų129.376%0.75971%0.711SS**  trans-73.9109.8174.5-95141000109.8
400G29.7Very low33.1Very low68 Ų68130.4 Ų130.470%0.70172%0.72SS**  trans-105.1117.9163.300000110.5L398L398-G400 PolarHBondContact O-N 2.94Å
401Q31.2Very low33.2Very low190 Ų190129.6 Ų129.689%0.88872%0.722SS**  trans-74.2131167.6-86.5179.5-43.100109.5
402V32.2Very low33.1Very low125 Ų125129.4 Ų129.476%0.75872%0.723SS**  trans-116.5110.3166-177.50000108L404V402-L404 PolarHBondContact O-N 3.12Å
403D32Very low33.4Very low138 Ų138130.4 Ų130.474%0.73873%0.726SS**  trans-80.8103.7170.9-99.6-17.2000109K405D403-K405 PolarHBondContact O-N 3.18Å; D403-K405 VanDerWaalsContact O-N 3.14Å
404L35.4Very low33.6Very low158 Ų158130.8 Ų130.883%0.82773%0.732SS**  trans-79.791.9168.5-76.6165.3000109.4V402V402-L404 PolarHBondContact O-N 3.12Å
405K29.5Very low33.9Very low188 Ų188130.8 Ų130.882%0.81772%0.721SS**  trans-94.191.4164.6-74.1-178.2-177.7171.40109.3D403D403-K405 PolarHBondContact O-N 3.18Å; D403-K405 VanDerWaalsContact O-N 3.14Å
406S35.3Very low34.2Very low84 Ų84128.6 Ų128.659%0.58770%0.701SS**  trans-146.9122.1161620000111.4Y408S406-Y408 PolarHBondContact O-N 2.94Å; S406-Y408 VanDerWaalsContact O-N 3.08Å
407S28.6Very low34.3Very low116 Ų116124.9 Ų124.981%0.81169%0.687SS**  trans-68.787.8172.949.80000110.9
408Y35.3Very low34.7Very low203 Ų203119.6 Ų119.680%0.79667%0.674SS**  trans-138.7143.6164.8-79.7-84.1000108.7S406S406-Y408 PolarHBondContact O-N 2.94Å; S406-Y408 VanDerWaalsContact O-N 3.08Å
409S39Very low35.2Very low112 Ų112119.5 Ų119.578%0.78367%0.667SS**  trans-42.1134.8178.442.50000112
410A38.1Very low35.8Very low88 Ų88118 Ų11873%0.72766%0.658SS**PPolyproline II helixtrans-51.6129.8-179.500000110.9
411P40.4Very low36.2Very low67 Ų67117.6 Ų117.644%0.43565%0.654SS.*PPolyproline II helixtrans-61148.6172.7-12.625.4000109.7L416P411-L416 HydrophobicContact CB-CD1 4.02Å; P411-L416 HydrophobicContact CB-CG 4.22Å; P411-L416 HydrophobicContact CG-CD1 4.08Å; P411-L416 HydrophobicContact CG-CG 4.44Å
412N39.7Very low36.8Very low99 Ų99112.1 Ų112.153%0.52963%0.633SS.*PPolyproline II helixtrans-63.2143.8174.2-163.61.9000109.2D414 E415 L416N412-D414 PolarHBondContact O-N 2.98Å; N412-D414 VanDerWaalsContact O-N 3.1Å; N412-E415 HydrophobicContact CB-CG 4.36Å; N412-E415 PolarHBondContact N-OE2 2.71Å; N412-E415 WeakPolarHBondContact O-CB 3.37Å; N412-E415 PolarHBondContact O-N 2.82Å; N412-L416 PolarHBondContact O-N 3.12Å
413V42Very low37.7Very low87 Ų87110.2 Ų110.253%0.52762%0.622SS.*Hα-helixtrans-57.8-29.1-178.3175.70000111N417V413-N417 WeakPolarHBondContact O-CB 3.42Å; V413-N417 VanDerWaalsContact O-CG 3.29Å; V413-N417 PolarHBondContact O-N 3.38Å; V413-N417 PolarHBondContact O-ND2 2.88Å
414D39.9Very low38.6Very low115 Ų115104.8 Ų104.862%0.61559%0.594SS**Hα-helixtrans-69.8-33.2174.1-62.2-37.6000113.6N412 S418N412-D414 PolarHBondContact O-N 2.98Å; N412-D414 VanDerWaalsContact O-N 3.1Å; D414-S418 PolarHBondContact O-N 3.02Å; D414-S418 VanDerWaalsContact O-N 3.16Å
415E39.8Very low40Very low119 Ų11999.1 Ų99.156%0.55656%0.561SS**Hα-helixtrans-70.9-38.8175-74179.2149.500111.3N412 S418N412-E415 HydrophobicContact CB-CG 4.36Å; N412-E415 PolarHBondContact N-OE2 2.71Å; N412-E415 WeakPolarHBondContact O-CB 3.37Å; N412-E415 PolarHBondContact O-N 2.82Å; E415-S418 PolarHBondContact O-N 2.79Å; E415-S418 PolarHBondContact O-OG 2.84Å
416L37.7Very low41.7Very low56 Ų5692.1 Ų92.129%0.29353%0.532SS..Hα-helixtrans-69-37175.4-88155.1000112.1P411 N412 S418 F419 I420P411-L416 HydrophobicContact CB-CD1 4.02Å; P411-L416 HydrophobicContact CB-CG 4.22Å; P411-L416 HydrophobicContact CG-CD1 4.08Å; P411-L416 HydrophobicContact CG-CG 4.44Å; N412-L416 PolarHBondContact O-N 3.12Å; L416-S418 VanDerWaalsContact C-N 3.29Å; L416-S418 PolarHBondContact O-N 2.89Å; L416-F419 PolarHBondContact O-N 3.45Å; L416-I420 WeakPolarHBondContact O-CD1 3.45Å; L416-I420 WeakPolarHBondContact O-CG1 3.5Å
417N32.4Very low43.5Very low95 Ų9588.3 Ų88.351%0.50851%0.505SS..Hα-helixtrans-66.7-28.3174.2-76.4-26.1000113V413 F419 I420V413-N417 WeakPolarHBondContact O-CB 3.42Å; V413-N417 VanDerWaalsContact O-CG 3.29Å; V413-N417 PolarHBondContact O-N 3.38Å; V413-N417 PolarHBondContact O-ND2 2.88Å; N417-F419 VanDerWaalsContact C-N 3.28Å; N417-F419 PolarHBondContact O-N 2.73Å; N417-I420 PolarHBondContact O-N 2.84Å
418S36.6Very low46.1Very low84 Ų8484.9 Ų84.959%0.58748%0.479SS*.Hα-helixtrans-67.7-25.817579.70000113.7D414 E415 L416D414-S418 PolarHBondContact O-N 3.02Å; D414-S418 VanDerWaalsContact O-N 3.16Å; E415-S418 PolarHBondContact O-N 2.79Å; E415-S418 PolarHBondContact O-OG 2.84Å; L416-S418 VanDerWaalsContact C-N 3.29Å; L416-S418 PolarHBondContact O-N 2.89Å
419F37.6Very low48.2Very low173 Ų17375.3 Ų75.376%0.75944%0.442SS*.THydrogen-bonded Turntrans-86.1-10.7178.9-95.4-90.4000114.1L416 N417 G421L416-F419 PolarHBondContact O-N 3.45Å; N417-F419 VanDerWaalsContact C-N 3.28Å; N417-F419 PolarHBondContact O-N 2.73Å; F419-G421 VanDerWaalsContact C-N 3.33Å; F419-G421 PolarHBondContact O-N 2.6Å
420I39.4Very low50Low113 Ų11372.8 Ų72.858%0.57942%0.42SS*.THydrogen-bonded Turntrans-86-0.2-171.9-71.8168.7000112.9L416 N417L416-I420 WeakPolarHBondContact O-CD1 3.45Å; L416-I420 WeakPolarHBondContact O-CG1 3.5Å; N417-I420 PolarHBondContact O-N 2.84Å
421G38.4Very low51.7Low59 Ų5975.1 Ų75.161%0.60842%0.42SS*.THydrogen-bonded Turntrans-116.86.1-170.200000118F419 V423F419-G421 VanDerWaalsContact C-N 3.33Å; F419-G421 PolarHBondContact O-N 2.6Å; G421-V423 PolarHBondContact O-N 3.02Å; G421-V423 VanDerWaalsContact O-N 3.08Å
422V44.4Very low53.4Low75 Ų7574.9 Ų74.946%0.45541%0.41SS..  trans-79.599.1-176.8-168.30000109.5E366 V424E366-V422 HydrophobicContact CG-CG1 4.02Å; V422-V424 HydrophobicContact CB-CG2 4.48Å; V422-V424 HydrophobicContact CG1-CG2 4.12Å; V422-V424 WeakPolarHBondContact O-CG2 3.42Å; V422-V424 PolarHBondContact O-N 3.28Å
423V50.9Low54.8Low85 Ų8579.3 Ų79.352%0.51543%0.43SS..  trans-75.3107.5171.6178.20000107.7G421 R425G421-V423 PolarHBondContact O-N 3.02Å; G421-V423 VanDerWaalsContact O-N 3.08Å; V423-R425 HydrophobicContact CG1-CG 4.39Å
424V51.3Low56.5Low25 Ų2579.7 Ų79.715%0.15243%0.433CS..  trans-101.1125.7-175.8-136.80000108.2D365 E366 S368 H369 T370 V422D365-V424 VanDerWaalsContact O-CG1 3.27Å; D365-V424 WeakPolarHBondContact O-CG1 3.08Å; E366-V424 CarbonylContact O-C 3.55Å; E366-V424 VanDerWaalsContact O-CA 3.31Å; E366-V424 WeakPolarHBondContact O-CA 3.28Å; S368-V424 VanDerWaalsContact N-CG1 3.3Å; S368-V424 CarbonylContact O-C 3.58Å; S368-V424 VanDerWaalsContact O-CA 3.32Å; S368-V424 WeakPolarHBondContact O-CA 3.41Å; S368-V424 WeakPolarHBondContact O-CB 3.07Å; S368-V424 WeakPolarHBondContact O-CG1 3.1Å; H369-V424 VanDerWaalsContact O-CB 3.31Å; H369-V424 WeakPolarHBondContact O-CB 3.45Å; H369-V424 WeakPolarHBondContact O-CG2 3.34Å; T370-V424 PolarHBondContact N-O 3.12Å; T370-V424 PolarHBondContact OG1-N 2.96Å; T370-V424 VanDerWaalsContact OG1-N 3.08Å; T370-V424 PolarHBondContact OG1-O 3.39Å; V422-V424 HydrophobicContact CB-CG2 4.48Å; V422-V424 HydrophobicContact CG1-CG2 4.12Å; V422-V424 WeakPolarHBondContact O-CG2 3.42Å; V422-V424 PolarHBondContact O-N 3.28Å
425R64.5Low58.2Low38 Ų3880 Ų8014%0.14343%0.43CS..  trans-107.7133.8-171-55.8175.5-170.1-129.75113.5E366 I367 S368 V423 Q485 V487E366-R425 PolarHBondContact O-N 2.93Å; I367-R425 CarbonylContact C-O 2.9Å; I367-R425 WeakPolarHBondContact CA-O 3.37Å; I367-R425 WeakPolarHBondContact CG2-O 3.37Å; S368-R425 PolarHBondContact N-O 3.29Å; S368-R425 CarbonylContact O-C 3.58Å; S368-R425 PolarHBondContact O-N 2.84Å; V423-R425 HydrophobicContact CG1-CG 4.39Å; R425-Q485 WeakPolarHBondContact CD-O 3.28Å; R425-Q485 VanDerWaalsContact CZ-OE1 3.25Å; R425-Q485 VanDerWaalsContact NH1-CB 3.32Å; R425-Q485 PolarHBondContact NH1-O 3.02Å; R425-V487 HydrophobicContact CB-CG2 4.13Å
426I65Low60Low41 Ų4175.1 Ų75.121%0.2141%0.409CS..  trans-105.7146.9-177.3-57.1174.1000110.6H369 E435H369-I426 HydrophobicContact CB-CD1 4.26Å; H369-I426 VanDerWaalsContact CD2-CD1 3.43Å; H369-I426 WeakPolarHBondContact CD2-CD1 3.42Å; I426-E435 HydrophobicContact CG2-CB 3.48Å; I426-E435 VanDerWaalsContact CG2-CB 3.48Å; I426-E435 HydrophobicContact CG2-CG 3.56Å
427L73.6Confident61.8Low4 Ų474.2 Ų74.22%0.02141%0.406CS..BIsolated β-bridgetrans-124.1148.2164.672.6126000111.6I367 P429 V436 A438 L441 V487 L490 T494I367-L427 HydrophobicContact CG2-CD2 4.03Å; L427-P429 HydrophobicContact CD1-CB 4.23Å; L427-P429 HydrophobicContact CD1-CG 3.7Å; L427-P429 HydrophobicContact CG-CG 4.44Å; L427-P429 WeakPolarHBondContact O-CD 2.97Å; L427-V436 PolarHBondContact O-N 3.2Å; L427-A438 HydrophobicContact CD2-CB 4.48Å; L427-L441 HydrophobicContact CD1-CD2 4.09Å; L427-V487 HydrophobicContact CB-CB 4.39Å; L427-L490 HydrophobicContact CD2-CD2 4.12Å; L427-T494 HydrophobicContact CD1-CG2 3.93Å
428V81.7Confident64.1Low44 Ų4469.7 Ų69.727%0.26738%0.382SS..  trans-100.3102.3162.8-179.20000106.8R432 E435 A496 S497V428-R432 WeakPolarHBondContact CG1-O 3.13Å; V428-E435 HydrophobicContact CG2-CG 3.54Å; V428-A496 CarbonylContact O-C 3.33Å; V428-A496 WeakPolarHBondContact O-CA 3.27Å; V428-S497 PolarHBondContact O-N 3.18Å; V428-S497 PolarHBondContact O-OG 3.25Å
429P80.5Confident66.2Low2 Ų267.1 Ų67.11%0.01336%0.362CS..BIsolated β-bridgetrans-58.1148.2-179.1-24.934.4000111.2L427 N431 R432 V436 L441 T494 S497L427-P429 HydrophobicContact CD1-CB 4.23Å; L427-P429 HydrophobicContact CD1-CG 3.7Å; L427-P429 HydrophobicContact CG-CG 4.44Å; L427-P429 WeakPolarHBondContact O-CD 2.97Å; P429-N431 PolarHBondContact O-N 3Å; P429-R432 HydrophobicContact CB-CB 4.16Å; P429-R432 HydrophobicContact CB-CG 4.11Å; P429-R432 HydrophobicContact CG-CB 4.42Å; P429-R432 PolarHBondContact O-N 3.22Å; P429-V436 HydrophobicContact CG-CG1 3.36Å; P429-L441 HydrophobicContact CB-CD1 4.35Å; P429-L441 HydrophobicContact CB-CD2 4.36Å; P429-L441 HydrophobicContact CG-CD1 3.91Å; P429-L441 HydrophobicContact CG-CD2 3.86Å; P429-L441 HydrophobicContact CG-CG 4.46Å; P429-T494 HydrophobicContact CB-CG2 4.05Å; P429-S497 PolarHBondContact O-OG 3.21Å; P429-S497 VanDerWaalsContact O-OG 3.1Å
430L77.2Confident68.3Low59 Ų5964 Ų6431%0.30935%0.345SS..THydrogen-bonded Turntrans-53.7133172.5-157.374.1000110.2R432 T494 N495 K500L430-R432 PolarHBondContact O-N 3.08Å; L430-T494 PolarHBondContact N-OG1 2.89Å; L430-N495 PolarHBondContact N-O 3.3Å; L430-K500 HydrophobicContact CD1-CB 3.97Å; L430-K500 HydrophobicContact CD1-CD 3.81Å; L430-K500 HydrophobicContact CD1-CG 3.82Å
431N72.3Confident70.5Confident138 Ų13858.8 Ų58.874%0.73832%0.319SS*.THydrogen-bonded Turntrans66.413.2-177.7-50-38.6000115.7P429P429-N431 PolarHBondContact O-N 3Å
432R76.1Confident72.8Confident61 Ų6156.3 Ų56.323%0.2329%0.292CS..  trans-111.6146.4166.3-62.5-167.9178.5-165.3-4.6109.6V428 P429 L430 L441 I444 E448V428-R432 WeakPolarHBondContact CG1-O 3.13Å; P429-R432 HydrophobicContact CB-CB 4.16Å; P429-R432 HydrophobicContact CB-CG 4.11Å; P429-R432 HydrophobicContact CG-CB 4.42Å; P429-R432 PolarHBondContact O-N 3.22Å; L430-R432 PolarHBondContact O-N 3.08Å; R432-L441 VanDerWaalsContact NH1-CD1 3.34Å; R432-I444 VanDerWaalsContact NH2-CG2 3.34Å; R432-E448 IonicContact NH2-OE1 2.68Å; R432-E448 PolarHBondContact NH2-OE1 2.62Å
433M70.3Confident74.8Confident192 Ų19256.6 Ų56.695%0.94629%0.288SS*.SBendtrans-94.1-14.6179.6-61.4-170.3-167.200112.8
434T76Confident76.5Confident96 Ų9654.4 Ų54.459%0.58927%0.273SS*.SBendtrans-109.4140.5-174.856.80000110.7
435E76.3Confident78.3Confident120 Ų12054.4 Ų54.456%0.56127%0.272SS*.  trans-56.8137.8164.1-76.4-179.6-17200110.8I426 V428I426-E435 HydrophobicContact CG2-CB 3.48Å; I426-E435 VanDerWaalsContact CG2-CB 3.48Å; I426-E435 HydrophobicContact CG2-CG 3.56Å; V428-E435 HydrophobicContact CG2-CG 3.54Å
436V77.2Confident79.4Confident17 Ų1753 Ų5310%0.10327%0.268CS..BIsolated β-bridgetrans-147.2147178.671.10000110.2L427 P429 R440 L441 I444L427-V436 PolarHBondContact O-N 3.2Å; P429-V436 HydrophobicContact CG-CG1 3.36Å; V436-R440 HydrophobicContact CG2-CB 3.65Å; V436-R440 HydrophobicContact CG2-CG 3.69Å; V436-L441 HydrophobicContact CG1-CB 3.92Å; V436-L441 HydrophobicContact CG1-CD1 4.3Å; V436-L441 HydrophobicContact CG2-CB 4.4Å; V436-I444 HydrophobicContact CG2-CD1 4.44Å
437T76.8Confident80.6Confident38 Ų3856.3 Ų56.323%0.23328%0.282CS..  trans-71.1153.9173.475.40000109.8I367 S368 V439 R440 L441I367-T437 CarbonylContact O-C 3.56Å; I367-T437 WeakPolarHBondContact O-CA 3.46Å; I367-T437 WeakPolarHBondContact O-CB 3.41Å; S368-T437 VanDerWaalsContact CB-CG2 3.46Å; S368-T437 WeakPolarHBondContact OG-CG2 3.21Å; T437-V439 VanDerWaalsContact C-N 3.28Å; T437-V439 PolarHBondContact O-N 2.83Å; T437-R440 PolarHBondContact O-N 2.76Å; T437-R440 WeakPolarHBondContact OG1-CB 3.18Å; T437-R440 PolarHBondContact OG1-N 2.98Å; T437-L441 WeakPolarHBondContact O-CB 3.35Å; T437-L441 PolarHBondContact O-N 2.92Å
438A79.3Confident81.3Confident0 Ų060.6 Ų60.60%030%0.302CS..Hα-helixtrans-60.9-40.817700000111.4I367 L427 L441 V442 Y477 L490I367-A438 HydrophobicContact CB-CB 3.69Å; I367-A438 HydrophobicContact CD1-CB 3.79Å; I367-A438 HydrophobicContact CG1-CB 4.31Å; I367-A438 HydrophobicContact CG2-CB 3.68Å; I367-A438 PolarHBondContact O-N 3.24Å; L427-A438 HydrophobicContact CD2-CB 4.48Å; A438-L441 PolarHBondContact O-N 3.03Å; A438-V442 WeakPolarHBondContact O-CG2 3.36Å; A438-V442 PolarHBondContact O-N 2.99Å; A438-Y477 HydrophobicContact CB-CD2 3.78Å; A438-Y477 HydrophobicContact CB-CE2 4.12Å; A438-L490 HydrophobicContact CB-CD1 4.34Å; A438-L490 HydrophobicContact CB-CD2 3.96Å
439V80.7Confident81.5Confident29 Ų2958.5 Ų58.518%0.17629%0.29CS..Hα-helixtrans-57.3-53.1175.31720000110.6R364 T437 L441 V442 E443 Y477R364-V439 HydrophobicContact CB-CG2 3.51Å; R364-V439 HydrophobicContact CG-CG2 3.75Å; R364-V439 WeakPolarHBondContact O-CG2 3.37Å; T437-V439 VanDerWaalsContact C-N 3.28Å; T437-V439 PolarHBondContact O-N 2.83Å; V439-L441 VanDerWaalsContact C-N 3.27Å; V439-L441 PolarHBondContact O-N 2.8Å; V439-V442 PolarHBondContact O-N 3.07Å; V439-V442 VanDerWaalsContact O-N 3.13Å; V439-E443 HydrophobicContact CG1-CG 4.46Å; V439-E443 WeakPolarHBondContact O-CG 3.26Å; V439-E443 PolarHBondContact O-N 2.92Å; V439-Y477 HydrophobicContact CG2-CE2 4.21Å
440R83.4Confident81.9Confident108 Ų10861.1 Ų61.141%0.40830%0.302SS..Hα-helixtrans-65.6-34.5-177-174.960.7-177.1152.46.3111.5V436 T437 E443 I444V436-R440 HydrophobicContact CG2-CB 3.65Å; V436-R440 HydrophobicContact CG2-CG 3.69Å; T437-R440 PolarHBondContact O-N 2.76Å; T437-R440 WeakPolarHBondContact OG1-CB 3.18Å; T437-R440 PolarHBondContact OG1-N 2.98Å; R440-E443 VanDerWaalsContact CD-OE2 3.26Å; R440-E443 WeakPolarHBondContact CD-OE2 3.17Å; R440-E443 IonicContact CZ-OE2 3.5Å; R440-E443 IonicContact NH1-OE2 3.05Å; R440-E443 PolarHBondContact NH1-OE2 3.28Å; R440-I444 HydrophobicContact CG-CD1 4.04Å; R440-I444 WeakPolarHBondContact O-CD1 3.49Å; R440-I444 WeakPolarHBondContact O-CG1 3.15Å; R440-I444 PolarHBondContact O-N 3.09Å
441L85.4Confident82.4Confident3 Ų361 Ų612%0.01631%0.309CS..Hα-helixtrans-62.2-47.7173179.760.7000111.7L427 P429 R432 V436 T437 A438 V439 E443 I444 L445 L490 I493 T494L427-L441 HydrophobicContact CD1-CD2 4.09Å; P429-L441 HydrophobicContact CB-CD1 4.35Å; P429-L441 HydrophobicContact CB-CD2 4.36Å; P429-L441 HydrophobicContact CG-CD1 3.91Å; P429-L441 HydrophobicContact CG-CD2 3.86Å; P429-L441 HydrophobicContact CG-CG 4.46Å; R432-L441 VanDerWaalsContact NH1-CD1 3.34Å; V436-L441 HydrophobicContact CG1-CB 3.92Å; V436-L441 HydrophobicContact CG1-CD1 4.3Å; V436-L441 HydrophobicContact CG2-CB 4.4Å; T437-L441 WeakPolarHBondContact O-CB 3.35Å; T437-L441 PolarHBondContact O-N 2.92Å; A438-L441 PolarHBondContact O-N 3.03Å; V439-L441 VanDerWaalsContact C-N 3.27Å; V439-L441 PolarHBondContact O-N 2.8Å; L441-E443 VanDerWaalsContact C-N 3.33Å; L441-E443 PolarHBondContact O-N 2.86Å; L441-I444 PolarHBondContact O-N 2.97Å; L441-L445 HydrophobicContact CD1-CD1 4Å; L441-L445 HydrophobicContact CD1-CG 4.17Å; L441-L445 HydrophobicContact CG-CD1 3.97Å; L441-L445 WeakPolarHBondContact O-CB 3.38Å; L441-L445 VanDerWaalsContact O-CG 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.38Å; L441-L445 PolarHBondContact O-N 3.48Å; L441-L490 HydrophobicContact CD2-CD2 4.13Å; L441-I493 HydrophobicContact CD2-CG2 3.85Å; L441-I493 HydrophobicContact CG-CG2 4.25Å; L441-T494 HydrophobicContact CD2-CG2 3.79Å
442V85.6Confident83.1Confident7 Ų757.3 Ų57.34%0.04229%0.287CS..Hα-helixtrans-63.4-39.9178.8171.20000111.4A438 V439 T446 V471 Y477 I493A438-V442 WeakPolarHBondContact O-CG2 3.36Å; A438-V442 PolarHBondContact O-N 2.99Å; V439-V442 PolarHBondContact O-N 3.07Å; V439-V442 VanDerWaalsContact O-N 3.13Å; V442-T446 WeakPolarHBondContact O-CB 3.35Å; V442-T446 PolarHBondContact O-N 2.83Å; V442-T446 PolarHBondContact O-OG1 3.32Å; V442-V471 HydrophobicContact CG1-CG2 4.4Å; V442-V471 HydrophobicContact CG2-CG2 4.4Å; V442-Y477 HydrophobicContact CG2-CE1 4.07Å; V442-I493 HydrophobicContact CG2-CD1 3.43Å; V442-I493 VanDerWaalsContact CG2-CD1 3.43Å
443E87.3Confident83.7Confident82 Ų8257.5 Ų57.538%0.38329%0.288SS..Hα-helixtrans-58.7-53173.3-72.9173.5177.100111.4V439 R440 L441 L445 T446 E447V439-E443 HydrophobicContact CG1-CG 4.46Å; V439-E443 WeakPolarHBondContact O-CG 3.26Å; V439-E443 PolarHBondContact O-N 2.92Å; R440-E443 VanDerWaalsContact CD-OE2 3.26Å; R440-E443 WeakPolarHBondContact CD-OE2 3.17Å; R440-E443 IonicContact CZ-OE2 3.5Å; R440-E443 IonicContact NH1-OE2 3.05Å; R440-E443 PolarHBondContact NH1-OE2 3.28Å; L441-E443 VanDerWaalsContact C-N 3.33Å; L441-E443 PolarHBondContact O-N 2.86Å; E443-L445 VanDerWaalsContact C-N 3.34Å; E443-L445 PolarHBondContact O-N 3.01Å; E443-T446 WeakPolarHBondContact O-CB 3.34Å; E443-T446 PolarHBondContact O-N 3.26Å; E443-T446 VanDerWaalsContact O-N 3.13Å; E443-E447 WeakPolarHBondContact O-CG 3.41Å; E443-E447 PolarHBondContact O-N 3.49Å
444I87Confident84.6Confident38 Ų3854.8 Ų54.820%0.19527%0.27CS..Hα-helixtrans-58.2-47.6-180-67.4163.7000110.6R432 V436 R440 L441 T446 E447 E448R432-I444 VanDerWaalsContact NH2-CG2 3.34Å; V436-I444 HydrophobicContact CG2-CD1 4.44Å; R440-I444 HydrophobicContact CG-CD1 4.04Å; R440-I444 WeakPolarHBondContact O-CD1 3.49Å; R440-I444 WeakPolarHBondContact O-CG1 3.15Å; R440-I444 PolarHBondContact O-N 3.09Å; L441-I444 PolarHBondContact O-N 2.97Å; I444-T446 VanDerWaalsContact C-N 3.28Å; I444-T446 PolarHBondContact O-N 2.86Å; I444-E447 PolarHBondContact O-N 3.14Å; I444-E448 HydrophobicContact CG2-CG 4.46Å; I444-E448 VanDerWaalsContact CG2-OE1 3.3Å; I444-E448 WeakPolarHBondContact CG2-OE1 3.41Å; I444-E448 WeakPolarHBondContact O-CG 3.49Å; I444-E448 PolarHBondContact O-N 3.35Å
445L88.2Confident85.2Confident25 Ų2556.2 Ų56.213%0.13127%0.271CS..Hα-helixtrans-65.3-34.5179.9-68.3173.5000112.1L441 E443 A449 I468 I493L441-L445 HydrophobicContact CD1-CD1 4Å; L441-L445 HydrophobicContact CD1-CG 4.17Å; L441-L445 HydrophobicContact CG-CD1 3.97Å; L441-L445 WeakPolarHBondContact O-CB 3.38Å; L441-L445 VanDerWaalsContact O-CG 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.38Å; L441-L445 PolarHBondContact O-N 3.48Å; E443-L445 VanDerWaalsContact C-N 3.34Å; E443-L445 PolarHBondContact O-N 3.01Å; L445-A449 WeakPolarHBondContact O-CB 3.5Å; L445-A449 PolarHBondContact O-N 3.09Å; L445-I468 HydrophobicContact CB-CD1 4.16Å; L445-I468 WeakPolarHBondContact O-CD1 3.48Å; L445-I493 HydrophobicContact CD1-CG2 3.39Å
446T88.3Confident85.8Confident9 Ų955.1 Ų55.16%0.05526%0.264CS..Hα-helixtrans-65-45.7174.3-66.10000111.1V442 E443 I444 A449 E450 I468 K472V442-T446 WeakPolarHBondContact O-CB 3.35Å; V442-T446 PolarHBondContact O-N 2.83Å; V442-T446 PolarHBondContact O-OG1 3.32Å; E443-T446 WeakPolarHBondContact O-CB 3.34Å; E443-T446 PolarHBondContact O-N 3.26Å; E443-T446 VanDerWaalsContact O-N 3.13Å; I444-T446 VanDerWaalsContact C-N 3.28Å; I444-T446 PolarHBondContact O-N 2.86Å; T446-A449 PolarHBondContact O-N 2.66Å; T446-E450 WeakPolarHBondContact O-CB 3.39Å; T446-E450 WeakPolarHBondContact O-CG 3.44Å; T446-E450 PolarHBondContact O-N 2.96Å; T446-I468 WeakPolarHBondContact OG1-CG2 2.94Å; T446-K472 HydrophobicContact CG2-CD 3.53Å; T446-K472 HydrophobicContact CG2-CG 4.31Å
447E89.8Confident86.1Confident110 Ų11063.5 Ų63.551%0.51430%0.299SS..Hα-helixtrans-60.6-45.2176-71170.6-168.600111E443 I444 A449 E450 A451E443-E447 WeakPolarHBondContact O-CG 3.41Å; E443-E447 PolarHBondContact O-N 3.49Å; I444-E447 PolarHBondContact O-N 3.14Å; E447-A449 PolarHBondContact O-N 2.93Å; E447-E450 PolarHBondContact O-N 3.47Å; E447-A451 WeakPolarHBondContact O-CB 3.36Å; E447-A451 PolarHBondContact O-N 3.08Å
448E88.3Confident86.3Confident95 Ų9567.8 Ų67.844%0.44431%0.311SS..Hα-helixtrans-58.7-45.5174.9-72.9171.6-165.800111.7R432 I444 A451 F452R432-E448 IonicContact NH2-OE1 2.68Å; R432-E448 PolarHBondContact NH2-OE1 2.62Å; I444-E448 HydrophobicContact CG2-CG 4.46Å; I444-E448 VanDerWaalsContact CG2-OE1 3.3Å; I444-E448 WeakPolarHBondContact CG2-OE1 3.41Å; I444-E448 WeakPolarHBondContact O-CG 3.49Å; I444-E448 PolarHBondContact O-N 3.35Å; E448-A451 PolarHBondContact O-N 2.89Å; E448-F452 WeakPolarHBondContact O-CB 3.18Å; E448-F452 PolarHBondContact O-N 2.82Å
449A86.4Confident86.2Confident0 Ų075.1 Ų75.10%035%0.35CS..Hα-helixtrans-66.7-38.9178.200000113L445 T446 E447 R453 Y461 H465 I468L445-A449 WeakPolarHBondContact O-CB 3.5Å; L445-A449 PolarHBondContact O-N 3.09Å; T446-A449 PolarHBondContact O-N 2.66Å; E447-A449 PolarHBondContact O-N 2.93Å; A449-R453 VanDerWaalsContact O-CB 3.29Å; A449-R453 WeakPolarHBondContact O-CB 3.23Å; A449-R453 PolarHBondContact O-N 3.46Å; A449-Y461 HydrophobicContact CB-CD1 4.23Å; A449-Y461 HydrophobicContact CB-CD2 4.33Å; A449-Y461 HydrophobicContact CB-CE1 4.21Å; A449-Y461 HydrophobicContact CB-CE2 4.3Å; A449-Y461 HydrophobicContact CB-CG 4.34Å; A449-H465 HydrophobicContact CB-CB 3.69Å; A449-I468 HydrophobicContact CB-CD1 3.54Å
450E87.8Confident86Confident56 Ų5678 Ų7826%0.26237%0.367SS..Hα-helixtrans-67.1-42.1174.9-76.8-178-16400111.8T446 E447 R453 K454 Y461 K472T446-E450 WeakPolarHBondContact O-CB 3.39Å; T446-E450 WeakPolarHBondContact O-CG 3.44Å; T446-E450 PolarHBondContact O-N 2.96Å; E447-E450 PolarHBondContact O-N 3.47Å; E450-R453 PolarHBondContact O-N 3.45Å; E450-K454 WeakPolarHBondContact O-CB 3.3Å; E450-K454 VanDerWaalsContact O-CG 3.29Å; E450-K454 WeakPolarHBondContact O-CG 3.34Å; E450-K454 PolarHBondContact O-N 3.44Å; E450-Y461 HydrophobicContact CG-CE1 3.72Å; E450-Y461 WeakPolarHBondContact CG-OH 3.34Å; E450-Y461 PolarHBondContact OE1-OH 3.21Å; E450-K472 IonicContact OE1-NZ 3.25Å; E450-K472 PolarHBondContact OE1-NZ 3.15Å
451A89.1Confident85.6Confident57 Ų5773.5 Ų73.547%0.47135%0.35SS..Hα-helixtrans-60.2-48.4174.500000110.9E447 E448 R453 K454 E455E447-A451 WeakPolarHBondContact O-CB 3.36Å; E447-A451 PolarHBondContact O-N 3.08Å; E448-A451 PolarHBondContact O-N 2.89Å; A451-R453 PolarHBondContact O-N 3.42Å; A451-K454 PolarHBondContact O-N 2.78Å; A451-E455 WeakPolarHBondContact O-CB 3.25Å; A451-E455 PolarHBondContact O-N 3.39Å
452F86.6Confident85Confident60 Ų6073.7 Ų73.726%0.26335%0.352SS..Hα-helixtrans-63-40.2177.2-171.4-100.8000112.5E448 E455 K456 S462 H465E448-F452 WeakPolarHBondContact O-CB 3.18Å; E448-F452 PolarHBondContact O-N 2.82Å; F452-E455 PolarHBondContact O-N 2.86Å; F452-K456 HydrophobicContact CD1-CG 4.31Å; F452-K456 HydrophobicContact CE1-CG 3.93Å; F452-K456 HydrophobicContact CE2-CG 4.29Å; F452-K456 HydrophobicContact CZ-CD 4.49Å; F452-K456 HydrophobicContact CZ-CG 3.93Å; F452-K456 WeakPolarHBondContact O-CB 3.07Å; F452-K456 WeakPolarHBondContact O-CG 3.3Å; F452-K456 PolarHBondContact O-N 3.06Å; F452-S462 WeakPolarHBondContact CD1-OG 3.43Å; F452-S462 WeakPolarHBondContact CE1-OG 3.36Å; F452-H465 AromaticContact CD1-CE1 3.94Å; F452-H465 AromaticContact CD1-ND1 3.95Å
453R88.2Confident84.3Confident66 Ų6674 Ų7425%0.24936%0.357CS..Hα-helixtrans-60.7-45.8174.9-178.7-174.475.190.3-8.7111.4A449 E450 A451 K456 K457 R458 V460 Y461A449-R453 VanDerWaalsContact O-CB 3.29Å; A449-R453 WeakPolarHBondContact O-CB 3.23Å; A449-R453 PolarHBondContact O-N 3.46Å; E450-R453 PolarHBondContact O-N 3.45Å; A451-R453 PolarHBondContact O-N 3.42Å; R453-K456 PolarHBondContact O-N 2.99Å; R453-K457 PolarHBondContact O-N 3.26Å; R453-K457 VanDerWaalsContact O-N 3.13Å; R453-R458 WeakPolarHBondContact CD-O 3.25Å; R453-R458 HydrophobicContact CG-CB 4.2Å; R453-R458 WeakPolarHBondContact CG-O 3.27Å; R453-R458 PolarHBondContact NH1-O 2.61Å; R453-R458 PolarHBondContact O-N 3.38Å; R453-V460 WeakPolarHBondContact CG-O 3.47Å; R453-Y461 HydrophobicContact CB-CD1 4.2Å
454K89.2Confident83.6Confident134 Ų13474.1 Ų74.158%0.58336%0.359SS*.Hα-helixtrans-64.4-45.5177.8-73.9171.3-177.9171.50111.1E450 A451 K456 K457E450-K454 WeakPolarHBondContact O-CB 3.3Å; E450-K454 VanDerWaalsContact O-CG 3.29Å; E450-K454 WeakPolarHBondContact O-CG 3.34Å; E450-K454 PolarHBondContact O-N 3.44Å; A451-K454 PolarHBondContact O-N 2.78Å; K454-K456 VanDerWaalsContact C-N 3.34Å; K454-K456 PolarHBondContact O-N 2.79Å; K454-K457 PolarHBondContact O-N 2.68Å
455E89.3Confident83.4Confident127 Ų12773.7 Ų73.759%0.59336%0.356SS*.Hα-helixtrans-58-44.5176.7-169.8-152.2128.500111.6A451 F452 K457A451-E455 WeakPolarHBondContact O-CB 3.25Å; A451-E455 PolarHBondContact O-N 3.39Å; F452-E455 PolarHBondContact O-N 2.86Å; E455-K457 VanDerWaalsContact C-N 3.26Å; E455-K457 PolarHBondContact O-N 2.8Å
456K88.1Confident83Confident96 Ų9676.8 Ų76.842%0.41737%0.37SS..THydrogen-bonded Turntrans-81.93.9177.9-61.3-53.1-175-141.50114.5F452 R453 K454 R458F452-K456 HydrophobicContact CD1-CG 4.31Å; F452-K456 HydrophobicContact CE1-CG 3.93Å; F452-K456 HydrophobicContact CE2-CG 4.29Å; F452-K456 HydrophobicContact CZ-CD 4.49Å; F452-K456 HydrophobicContact CZ-CG 3.93Å; F452-K456 WeakPolarHBondContact O-CB 3.07Å; F452-K456 WeakPolarHBondContact O-CG 3.3Å; F452-K456 PolarHBondContact O-N 3.06Å; R453-K456 PolarHBondContact O-N 2.99Å; K454-K456 VanDerWaalsContact C-N 3.34Å; K454-K456 PolarHBondContact O-N 2.79Å; K456-R458 VanDerWaalsContact C-N 3.27Å; K456-R458 HydrophobicContact CB-CG 4.09Å; K456-R458 PolarHBondContact O-N 3.03Å
457K84.2Confident82.9Confident193 Ų19377.4 Ų77.484%0.83937%0.372SS*.THydrogen-bonded Turntrans50.741.6-178.1-58.1-177.6179.5-179.60113.5R453 K454 E455R453-K457 PolarHBondContact O-N 3.26Å; R453-K457 VanDerWaalsContact O-N 3.13Å; K454-K457 PolarHBondContact O-N 2.68Å; E455-K457 VanDerWaalsContact C-N 3.26Å; E455-K457 PolarHBondContact O-N 2.8Å
458R79.3Confident82.8Confident129 Ų12972.2 Ų72.249%0.48735%0.348SS..  trans-101.2149.9-179.4-66.5-176.6179.7172.6-0.9111.8R453 K456 V460R453-R458 WeakPolarHBondContact CD-O 3.25Å; R453-R458 HydrophobicContact CG-CB 4.2Å; R453-R458 WeakPolarHBondContact CG-O 3.27Å; R453-R458 PolarHBondContact NH1-O 2.61Å; R453-R458 PolarHBondContact O-N 3.38Å; K456-R458 VanDerWaalsContact C-N 3.27Å; K456-R458 HydrophobicContact CB-CG 4.09Å; K456-R458 PolarHBondContact O-N 3.03Å; R458-V460 WeakPolarHBondContact CB-O 3.38Å
459N77.6Confident82.6Confident153 Ų15373.1 Ų73.182%0.81835%0.348SS*.SBendtrans-80.1-23.1175.3-68.9-13.8000113.1
460V76.6Confident82.4Confident89 Ų8975.6 Ų75.654%0.53936%0.361SS..SBendtrans-122.6153.2-179.1-173.40000109.2R453 R458 S462 Y469R453-V460 WeakPolarHBondContact CG-O 3.47Å; R458-V460 WeakPolarHBondContact CB-O 3.38Å; V460-S462 PolarHBondContact O-N 2.86Å; V460-Y469 HydrophobicContact CG1-CE2 4.28Å
461Y76.3Confident82.3Confident14 Ų1473.4 Ų73.46%0.05535%0.351CS..  trans-49.2143.3168.5-67.6-16.1000110.9A449 E450 R453 H465 I468 Y469A449-Y461 HydrophobicContact CB-CD1 4.23Å; A449-Y461 HydrophobicContact CB-CD2 4.33Å; A449-Y461 HydrophobicContact CB-CE1 4.21Å; A449-Y461 HydrophobicContact CB-CE2 4.3Å; A449-Y461 HydrophobicContact CB-CG 4.34Å; E450-Y461 HydrophobicContact CG-CE1 3.72Å; E450-Y461 WeakPolarHBondContact CG-OH 3.34Å; E450-Y461 PolarHBondContact OE1-OH 3.21Å; R453-Y461 HydrophobicContact CB-CD1 4.2Å; Y461-H465 HydrophobicContact CD2-CB 4.4Å; Y461-H465 HydrophobicContact CG-CB 4.33Å; Y461-I468 HydrophobicContact CD2-CB 4.47Å; Y461-I468 HydrophobicContact CE2-CB 4.21Å; Y461-I468 HydrophobicContact CE2-CG2 4.1Å; Y461-Y469 HydrophobicContact CD1-CE2 4.48Å; Y461-Y469 HydrophobicContact CD2-CD1 4.41Å; Y461-Y469 AromaticContact CD2-CD2 3.67Å; Y461-Y469 HydrophobicContact CD2-CD2 3.67Å; Y461-Y469 AromaticContact CD2-CE1 3.97Å; Y461-Y469 HydrophobicContact CD2-CE1 3.97Å; Y461-Y469 AromaticContact CD2-CE2 3.16Å; Y461-Y469 HydrophobicContact CD2-CE2 3.16Å; Y461-Y469 HydrophobicContact CD2-CG 4.27Å; Y461-Y469 AromaticContact CD2-CZ 3.32Å; Y461-Y469 HydrophobicContact CE2-CD1 4.11Å; Y461-Y469 HydrophobicContact CE2-CD2 4.18Å; Y461-Y469 AromaticContact CE2-CE1 3.66Å; Y461-Y469 HydrophobicContact CE2-CE1 3.66Å; Y461-Y469 AromaticContact CE2-CE2 3.77Å; Y461-Y469 HydrophobicContact CE2-CE2 3.77Å; Y461-Y469 HydrophobicContact CE2-CG 4.34Å; Y461-Y469 AromaticContact CE2-CZ 3.48Å; Y461-Y469 VanDerWaalsContact CE2-CZ 3.48Å; Y461-Y469 HydrophobicContact CG-CD2 4.44Å; Y461-Y469 AromaticContact CG-CE2 3.56Å; Y461-Y469 HydrophobicContact CG-CE2 3.56Å; Y461-Y469 AromaticContact CG-CZ 3.67Å; Y461-Y469 AromaticContact CZ-CZ 3.95Å
462S71.2Confident82Confident7 Ų774.2 Ų74.25%0.04934%0.344CS..  trans-56.5146.3167.257.20000109.3F452 V460 I464 H465 Q466F452-S462 WeakPolarHBondContact CD1-OG 3.43Å; F452-S462 WeakPolarHBondContact CE1-OG 3.36Å; V460-S462 PolarHBondContact O-N 2.86Å; S462-I464 PolarHBondContact O-N 3.38Å; S462-I464 VanDerWaalsContact OG-CG1 3.22Å; S462-I464 WeakPolarHBondContact OG-CG1 3.24Å; S462-H465 PolarHBondContact O-N 2.84Å; S462-H465 PolarHBondContact OG-ND1 2.82Å; S462-Q466 PolarHBondContact O-N 2.97Å
463G71.3Confident81.8Confident15 Ų1578.2 Ų78.216%0.15537%0.368CS..G310 helixtrans-50.4-32-177.400000114.4K339 H465 Q466K339-G463 WeakPolarHBondContact CB-O 3.36Å; K339-G463 VanDerWaalsContact CD-O 3.3Å; K339-G463 WeakPolarHBondContact CD-O 3.28Å; G463-H465 PolarHBondContact O-N 2.81Å; G463-Q466 VanDerWaalsContact O-CB 3.23Å; G463-Q466 WeakPolarHBondContact O-CB 3.36Å; G463-Q466 PolarHBondContact O-N 2.82Å; G463-Q466 VanDerWaalsContact O-N 3.1Å
464I72.6Confident81.7Confident83 Ų8380.5 Ų80.543%0.42638%0.377SS..G310 helixtrans-63.4-20.4177.958.8166.6000113.7K339 S462 Y467K339-I464 HydrophobicContact CD-CG2 4.48Å; S462-I464 PolarHBondContact O-N 3.38Å; S462-I464 VanDerWaalsContact OG-CG1 3.22Å; S462-I464 WeakPolarHBondContact OG-CG1 3.24Å; I464-Y467 WeakPolarHBondContact O-CD1 3.17Å; I464-Y467 WeakPolarHBondContact O-CE1 3.37Å
465H82.3Confident81.6Confident29 Ų2982 Ų8213%0.13439%0.386CS..G310 helixtrans-107.13.3179-64.8117.6000111.7A449 F452 Y461 S462 G463 Y467 I468A449-H465 HydrophobicContact CB-CB 3.69Å; F452-H465 AromaticContact CD1-CE1 3.94Å; F452-H465 AromaticContact CD1-ND1 3.95Å; Y461-H465 HydrophobicContact CD2-CB 4.4Å; Y461-H465 HydrophobicContact CG-CB 4.33Å; S462-H465 PolarHBondContact O-N 2.84Å; S462-H465 PolarHBondContact OG-ND1 2.82Å; G463-H465 PolarHBondContact O-N 2.81Å; H465-Y467 VanDerWaalsContact C-N 3.25Å; H465-Y467 PolarHBondContact O-N 2.84Å; H465-I468 HydrophobicContact CB-CD1 4.06Å; H465-I468 VanDerWaalsContact O-CB 3.3Å; H465-I468 WeakPolarHBondContact O-CB 3.15Å; H465-I468 WeakPolarHBondContact O-CG1 3.42Å; H465-I468 PolarHBondContact O-N 2.79Å; H465-I468 VanDerWaalsContact O-N 3.08Å
466Q81.5Confident81.7Confident90 Ų9079.3 Ų79.342%0.42137%0.372SS..THydrogen-bonded Turntrans-64.5-31.3-173.7-170.5172.4-6.300112.3V341 S462 G463 I468 Y469V341-Q466 HydrophobicContact CG2-CB 4.07Å; V341-Q466 HydrophobicContact CG2-CG 3.86Å; S462-Q466 PolarHBondContact O-N 2.97Å; G463-Q466 VanDerWaalsContact O-CB 3.23Å; G463-Q466 WeakPolarHBondContact O-CB 3.36Å; G463-Q466 PolarHBondContact O-N 2.82Å; G463-Q466 VanDerWaalsContact O-N 3.1Å; Q466-I468 PolarHBondContact O-N 3.07Å; Q466-I468 VanDerWaalsContact O-N 3.15Å; Q466-Y469 WeakPolarHBondContact O-CB 3.2Å; Q466-Y469 PolarHBondContact O-N 3.01Å; Q466-Y469 VanDerWaalsContact O-N 3.14Å
467Y85.4Confident81.8Confident22 Ų2275.2 Ų75.29%0.08635%0.354CS..THydrogen-bonded Turntrans-60.2-22.3175.371.5-98.1000113.4R340 I464 H465 Y469 L470 P492R340-Y467 HydrophobicContact CB-CD1 4.35Å; R340-Y467 HydrophobicContact CB-CG 4.32Å; I464-Y467 WeakPolarHBondContact O-CD1 3.17Å; I464-Y467 WeakPolarHBondContact O-CE1 3.37Å; H465-Y467 VanDerWaalsContact C-N 3.25Å; H465-Y467 PolarHBondContact O-N 2.84Å; Y467-Y469 PolarHBondContact O-N 3.46Å; Y467-L470 VanDerWaalsContact O-CB 3.24Å; Y467-L470 WeakPolarHBondContact O-CB 3.32Å; Y467-L470 PolarHBondContact O-N 2.56Å; Y467-P492 HydrophobicContact CD2-CG 4.13Å
468I87.2Confident82.3Confident2 Ų266.2 Ų66.21%0.0132%0.316CS..Hα-helixtrans-63.1-33178.3-64.3173.5000110.5L445 T446 A449 Y461 H465 Q466 L470 V471 K472L445-I468 HydrophobicContact CB-CD1 4.16Å; L445-I468 WeakPolarHBondContact O-CD1 3.48Å; T446-I468 WeakPolarHBondContact OG1-CG2 2.94Å; A449-I468 HydrophobicContact CB-CD1 3.54Å; Y461-I468 HydrophobicContact CD2-CB 4.47Å; Y461-I468 HydrophobicContact CE2-CB 4.21Å; Y461-I468 HydrophobicContact CE2-CG2 4.1Å; H465-I468 HydrophobicContact CB-CD1 4.06Å; H465-I468 VanDerWaalsContact O-CB 3.3Å; H465-I468 WeakPolarHBondContact O-CB 3.15Å; H465-I468 WeakPolarHBondContact O-CG1 3.42Å; H465-I468 PolarHBondContact O-N 2.79Å; H465-I468 VanDerWaalsContact O-N 3.08Å; Q466-I468 PolarHBondContact O-N 3.07Å; Q466-I468 VanDerWaalsContact O-N 3.15Å; I468-L470 PolarHBondContact O-N 3.1Å; I468-V471 VanDerWaalsContact O-CG2 3.29Å; I468-V471 WeakPolarHBondContact O-CG2 3.32Å; I468-V471 PolarHBondContact O-N 3.16Å; I468-V471 VanDerWaalsContact O-N 3.1Å; I468-K472 HydrophobicContact CG2-CB 4.26Å; I468-K472 WeakPolarHBondContact O-CB 3.33Å; I468-K472 PolarHBondContact O-N 3.44Å
469Y83.8Confident83Confident113 Ų11360 Ų6044%0.44329%0.292SS..Hα-helixtrans-63.3-23.4174.5-70.3-62.9000113.1V460 Y461 Q466 Y467 V471V460-Y469 HydrophobicContact CG1-CE2 4.28Å; Y461-Y469 HydrophobicContact CD1-CE2 4.48Å; Y461-Y469 HydrophobicContact CD2-CD1 4.41Å; Y461-Y469 AromaticContact CD2-CD2 3.67Å; Y461-Y469 HydrophobicContact CD2-CD2 3.67Å; Y461-Y469 AromaticContact CD2-CE1 3.97Å; Y461-Y469 HydrophobicContact CD2-CE1 3.97Å; Y461-Y469 AromaticContact CD2-CE2 3.16Å; Y461-Y469 HydrophobicContact CD2-CE2 3.16Å; Y461-Y469 HydrophobicContact CD2-CG 4.27Å; Y461-Y469 AromaticContact CD2-CZ 3.32Å; Y461-Y469 HydrophobicContact CE2-CD1 4.11Å; Y461-Y469 HydrophobicContact CE2-CD2 4.18Å; Y461-Y469 AromaticContact CE2-CE1 3.66Å; Y461-Y469 HydrophobicContact CE2-CE1 3.66Å; Y461-Y469 AromaticContact CE2-CE2 3.77Å; Y461-Y469 HydrophobicContact CE2-CE2 3.77Å; Y461-Y469 HydrophobicContact CE2-CG 4.34Å; Y461-Y469 AromaticContact CE2-CZ 3.48Å; Y461-Y469 VanDerWaalsContact CE2-CZ 3.48Å; Y461-Y469 HydrophobicContact CG-CD2 4.44Å; Y461-Y469 AromaticContact CG-CE2 3.56Å; Y461-Y469 HydrophobicContact CG-CE2 3.56Å; Y461-Y469 AromaticContact CG-CZ 3.67Å; Y461-Y469 AromaticContact CZ-CZ 3.95Å; Q466-Y469 WeakPolarHBondContact O-CB 3.2Å; Q466-Y469 PolarHBondContact O-N 3.01Å; Q466-Y469 VanDerWaalsContact O-N 3.14Å; Y467-Y469 PolarHBondContact O-N 3.46Å; Y469-V471 VanDerWaalsContact C-N 3.27Å; Y469-V471 PolarHBondContact O-N 3.43Å
470L83.1Confident83.8Confident52 Ų5252.8 Ų52.827%0.27225%0.254SS..Hα-helixtrans-73.3-22.1177.4-56.4179.5000112.5V341 Y467 I468 R474V341-L470 HydrophobicContact CG1-CD1 4.42Å; Y467-L470 VanDerWaalsContact O-CB 3.24Å; Y467-L470 WeakPolarHBondContact O-CB 3.32Å; Y467-L470 PolarHBondContact O-N 2.56Å; I468-L470 PolarHBondContact O-N 3.1Å; L470-R474 VanDerWaalsContact O-CG 3.24Å; L470-R474 WeakPolarHBondContact O-CG 3.26Å; L470-R474 PolarHBondContact O-NE 3.17Å
471V86.1Confident84.5Confident11 Ų1148.6 Ų48.67%0.06723%0.228CC..Hα-helixtrans-117.3-35.8-171.9-67.40000114.4V442 I468 Y469 N473 R474 Y477 P492 I493V442-V471 HydrophobicContact CG1-CG2 4.4Å; V442-V471 HydrophobicContact CG2-CG2 4.4Å; I468-V471 VanDerWaalsContact O-CG2 3.29Å; I468-V471 WeakPolarHBondContact O-CG2 3.32Å; I468-V471 PolarHBondContact O-N 3.16Å; I468-V471 VanDerWaalsContact O-N 3.1Å; Y469-V471 VanDerWaalsContact C-N 3.27Å; Y469-V471 PolarHBondContact O-N 3.43Å; V471-N473 PolarHBondContact O-N 3.13Å; V471-R474 PolarHBondContact O-N 3.12Å; V471-Y477 HydrophobicContact CB-CD1 4.35Å; V471-Y477 HydrophobicContact CB-CE1 4Å; V471-Y477 WeakPolarHBondContact O-CE1 3.39Å; V471-P492 HydrophobicContact CG1-CG 4.2Å; V471-I493 HydrophobicContact CB-CD1 4.32Å; V471-I493 HydrophobicContact CG1-CD1 4.2Å; V471-I493 HydrophobicContact CG1-CG1 4.3Å; V471-I493 HydrophobicContact CG2-CD1 4.1Å; V471-I493 HydrophobicContact CG2-CG1 4.18Å
472K82.7Confident85.3Confident74 Ų7448 Ų4832%0.32223%0.226SC..THydrogen-bonded Turntrans-50.2-33.5-168-178.5-179.1173.7169.40114.8T446 E450 I468T446-K472 HydrophobicContact CG2-CD 3.53Å; T446-K472 HydrophobicContact CG2-CG 4.31Å; E450-K472 IonicContact OE1-NZ 3.25Å; E450-K472 PolarHBondContact OE1-NZ 3.15Å; I468-K472 HydrophobicContact CG2-CB 4.26Å; I468-K472 WeakPolarHBondContact O-CB 3.33Å; I468-K472 PolarHBondContact O-N 3.44Å
473N82.3Confident86.2Confident144 Ų14449.6 Ų49.677%0.7724%0.24SC*.THydrogen-bonded Turntrans-11619.1-175.1-61.1-21.5000113.3V471V471-N473 PolarHBondContact O-N 3.13Å
474R86.2Confident86.9Confident114 Ų11454.4 Ų54.443%0.4326%0.258SS..  trans-87.2141.8178-65.5-67.4-169.2158.93.2110.5D301 L470 V471 K476D301-R474 PolarHBondContact O-NH1 3.27Å; L470-R474 VanDerWaalsContact O-CG 3.24Å; L470-R474 WeakPolarHBondContact O-CG 3.26Å; L470-R474 PolarHBondContact O-NE 3.17Å; V471-R474 PolarHBondContact O-N 3.12Å; R474-K476 WeakPolarHBondContact CB-O 3.45Å
475E87.2Confident87.5Confident165 Ų16554.2 Ų54.277%0.77126%0.256SS*.SBendtrans-75-30.3175.7-63.9-178.1171.700112.2R364R364-E475 PolarHBondContact N-O 3.19Å
476K90.1Very high87.6Confident70 Ų7054.8 Ų54.830%0.30426%0.261SS..EExtended strand (participates in β ladder)trans-123.3147.7178.1-59.5-179.3-178.8175.70111E298 V302 A361 L362 R474E298-K476 IonicContact OE2-NZ 3.19Å; E298-K476 PolarHBondContact OE2-NZ 2.97Å; V302-K476 HydrophobicContact CG2-CB 4.16Å; A361-K476 HydrophobicContact CB-CB 3.95Å; A361-K476 HydrophobicContact CB-CD 4.5Å; L362-K476 CarbonylContact O-C 3.22Å; L362-K476 WeakPolarHBondContact O-CA 3.4Å; L362-K476 WeakPolarHBondContact O-CB 3.36Å; R474-K476 WeakPolarHBondContact CB-O 3.45Å
477Y91.3Very high88Confident11 Ų1150.6 Ų50.64%0.04324%0.241CC..EExtended strand (participates in β ladder)trans-112131173.5-64.1-56.2000110.8A361 L362 R364 I367 A438 V439 V442 V471A361-Y477 CarbonylContact C-O 3.47Å; A361-Y477 WeakPolarHBondContact CA-O 3.2Å; L362-Y477 PolarHBondContact N-O 3.15Å; L362-Y477 PolarHBondContact O-N 3.47Å; R364-Y477 HydrophobicContact CB-CD2 4.02Å; R364-Y477 HydrophobicContact CB-CE2 3.56Å; I367-Y477 HydrophobicContact CD1-CD2 4.47Å; A438-Y477 HydrophobicContact CB-CD2 3.78Å; A438-Y477 HydrophobicContact CB-CE2 4.12Å; V439-Y477 HydrophobicContact CG2-CE2 4.21Å; V442-Y477 HydrophobicContact CG2-CE1 4.07Å; V471-Y477 HydrophobicContact CB-CD1 4.35Å; V471-Y477 HydrophobicContact CB-CE1 4Å; V471-Y477 WeakPolarHBondContact O-CE1 3.39Å
478A94Very high88.3Confident3 Ų349.5 Ų49.53%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-64.4134.217000000109.9V299 V302 R303 Y359 T360 P491V299-A478 HydrophobicContact CG2-CB 3.71Å; V302-A478 HydrophobicContact CG1-CB 4.08Å; R303-A478 HydrophobicContact CB-CB 4.03Å; Y359-A478 HydrophobicContact CE2-CB 4.38Å; T360-A478 CarbonylContact O-C 3.51Å; T360-A478 WeakPolarHBondContact O-CA 3.27Å; A478-P491 HydrophobicContact CB-CG 4.31Å; A478-P491 WeakPolarHBondContact O-CD 3.39Å
479C93.9Very high88.6Confident0 Ų049.5 Ų49.50%024%0.238CC..EExtended strand (participates in β ladder)trans-146.3151.7179.1620000111.5Y359 T360 V487 S489 L490Y359-C479 WeakPolarHBondContact CA-O 3.45Å; T360-C479 PolarHBondContact N-O 3.05Å; T360-C479 PolarHBondContact O-N 2.88Å; C479-V487 HydrophobicContact CB-CG1 4.08Å; C479-V487 HydrophobicContact CB-CG2 4.47Å; C479-S489 CarbonylContact C-O 2.71Å; C479-S489 VanDerWaalsContact CA-O 3.3Å; C479-S489 WeakPolarHBondContact CA-O 3.37Å; C479-L490 HydrophobicContact CB-CD1 4.24Å
480L94.6Very high89Confident1 Ų144.2 Ų44.21%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-104.8123.1168.1-171.265000109.3L357 Y359 I488 S489 E511L357-L480 HydrophobicContact CB-CD1 4Å; L357-L480 HydrophobicContact CD1-CD2 4.16Å; Y359-L480 HydrophobicContact CD2-CD1 4.39Å; L480-I488 HydrophobicContact CB-CG1 4.1Å; L480-I488 HydrophobicContact CD2-CD1 3.75Å; L480-I488 HydrophobicContact CD2-CG1 4.02Å; L480-I488 HydrophobicContact CG-CD1 4.03Å; L480-I488 HydrophobicContact CG-CG1 3.94Å; L480-I488 WeakPolarHBondContact O-CG1 3.41Å; L480-I488 PolarHBondContact O-N 3.35Å; L480-S489 PolarHBondContact N-O 2.88Å; L480-S489 PolarHBondContact O-N 2.74Å; L480-E511 WeakPolarHBondContact CD2-OE2 3.47Å
481L92.7Very high89.5Confident1 Ų142 Ų421%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-106.3142.6-178.1-56.8166.6000110.1L357 L358 T360 L362 T486 V487L357-L481 CarbonylContact C-O 3.44Å; L357-L481 VanDerWaalsContact CA-O 3.23Å; L357-L481 WeakPolarHBondContact CA-O 3.48Å; L358-L481 HydrophobicContact CB-CB 4.26Å; L358-L481 HydrophobicContact CB-CD1 4.45Å; L358-L481 HydrophobicContact CD2-CD1 4.05Å; L358-L481 HydrophobicContact CG-CD1 4.36Å; L358-L481 PolarHBondContact N-O 3.29Å; L358-L481 PolarHBondContact O-N 3.1Å; T360-L481 HydrophobicContact CG2-CD1 3.59Å; T360-L481 HydrophobicContact CG2-CG 4.37Å; L362-L481 HydrophobicContact CD1-CD2 4.44Å; L481-T486 WeakPolarHBondContact CA-O 3.43Å; L481-V487 HydrophobicContact CD2-CB 4.38Å; L481-V487 HydrophobicContact CD2-CG2 3.6Å
482D91.2Very high89.8Confident0 Ų041.7 Ų41.70%020%0.204CC..  trans-89.4179.9169.771.29000112.6Q354 P356 L357 E484 Q485 T486 I488 K498Q354-D482 HydrophobicContact CB-CB 4.23Å; Q354-D482 WeakPolarHBondContact O-CB 3.44Å; P356-D482 CarbonylContact O-C 3.58Å; L357-D482 HydrophobicContact CD2-CB 4.1Å; D482-E484 PolarHBondContact O-N 3.2Å; D482-E484 WeakPolarHBondContact OD1-CA 3.28Å; D482-E484 WeakPolarHBondContact OD1-CB 3.41Å; D482-E484 PolarHBondContact OD1-N 3.47Å; D482-E484 VanDerWaalsContact OD1-N 3.13Å; D482-Q485 WeakPolarHBondContact O-CA 3.29Å; D482-Q485 PolarHBondContact O-N 2.92Å; D482-Q485 PolarHBondContact OD1-N 2.81Å; D482-T486 PolarHBondContact N-O 2.91Å; D482-T486 WeakPolarHBondContact OD1-CA 3.45Å; D482-T486 VanDerWaalsContact OD1-CB 3.25Å; D482-T486 WeakPolarHBondContact OD1-CB 3.39Å; D482-T486 PolarHBondContact OD1-N 3.14Å; D482-T486 PolarHBondContact OD1-OG1 3.19Å; D482-T486 WeakPolarHBondContact OD2-CB 3.47Å; D482-I488 HydrophobicContact CB-CG2 4.02Å; D482-K498 IonicContact OD2-NZ 3.84Å; D482-K498 PolarHBondContact OD2-NZ 3.11Å
483A89.9Confident90.2Very high42 Ų4238.5 Ų38.535%0.34719%0.19SC..THydrogen-bonded Turntrans-58.1-34.1179.200000113.1Q354 F355 P356 Q485Q354-A483 HydrophobicContact CB-CB 4.09Å; Q354-A483 PolarHBondContact O-N 3.33Å; F355-A483 WeakPolarHBondContact O-CB 3.31Å; P356-A483 PolarHBondContact O-N 3.1Å; A483-Q485 PolarHBondContact O-N 2.87Å
484E86.9Confident90.6Very high115 Ų11533 Ų3354%0.53716%0.162SC..THydrogen-bonded Turntrans-76.86.6174.4-85.6170.7-172.700113Q354 D482 T486 K498Q354-E484 PolarHBondContact NE2-OE1 2.87Å; Q354-E484 PolarHBondContact NE2-OE2 2.93Å; Q354-E484 PolarHBondContact OE1-OE1 3.1Å; Q354-E484 PolarHBondContact OE1-OE2 2.8Å; D482-E484 PolarHBondContact O-N 3.2Å; D482-E484 WeakPolarHBondContact OD1-CA 3.28Å; D482-E484 WeakPolarHBondContact OD1-CB 3.41Å; D482-E484 PolarHBondContact OD1-N 3.47Å; D482-E484 VanDerWaalsContact OD1-N 3.13Å; E484-T486 PolarHBondContact O-N 3.48Å; E484-K498 IonicContact OE2-NZ 2.87Å; E484-K498 PolarHBondContact OE2-NZ 2.71Å
485Q85.6Confident90.8Very high80 Ų8028.9 Ų28.937%0.37415%0.148SC..  trans63.417-177.5-60.8-58.5-5700113.7R425 D482 A483R425-Q485 WeakPolarHBondContact CD-O 3.28Å; R425-Q485 VanDerWaalsContact CZ-OE1 3.25Å; R425-Q485 VanDerWaalsContact NH1-CB 3.32Å; R425-Q485 PolarHBondContact NH1-O 3.02Å; D482-Q485 WeakPolarHBondContact O-CA 3.29Å; D482-Q485 PolarHBondContact O-N 2.92Å; D482-Q485 PolarHBondContact OD1-N 2.81Å; A483-Q485 PolarHBondContact O-N 2.87Å
486T85Confident90.8Very high41 Ų4121.2 Ų21.225%0.25211%0.113SC..  trans-80.3137176.1-52.40000110.2L481 D482 E484 I488 K498L481-T486 WeakPolarHBondContact CA-O 3.43Å; D482-T486 PolarHBondContact N-O 2.91Å; D482-T486 WeakPolarHBondContact OD1-CA 3.45Å; D482-T486 VanDerWaalsContact OD1-CB 3.25Å; D482-T486 WeakPolarHBondContact OD1-CB 3.39Å; D482-T486 PolarHBondContact OD1-N 3.14Å; D482-T486 PolarHBondContact OD1-OG1 3.19Å; D482-T486 WeakPolarHBondContact OD2-CB 3.47Å; E484-T486 PolarHBondContact O-N 3.48Å; T486-I488 PolarHBondContact O-N 2.89Å; T486-K498 HydrophobicContact CG2-CD 4.01Å; T486-K498 PolarHBondContact OG1-NZ 2.72Å
487V89.5Confident90.7Very high1 Ų119.7 Ų19.71%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-74111.5173.7178.60000109.4I367 R425 L427 C479 L481 S489 A496I367-V487 HydrophobicContact CG2-CG2 4.29Å; R425-V487 HydrophobicContact CB-CG2 4.13Å; L427-V487 HydrophobicContact CB-CB 4.39Å; C479-V487 HydrophobicContact CB-CG1 4.08Å; C479-V487 HydrophobicContact CB-CG2 4.47Å; L481-V487 HydrophobicContact CD2-CB 4.38Å; L481-V487 HydrophobicContact CD2-CG2 3.6Å; V487-S489 WeakPolarHBondContact CG1-O 3.25Å; V487-A496 VanDerWaalsContact O-CB 3.29Å; V487-A496 WeakPolarHBondContact O-CB 3.38Å
488I91.3Very high90.5Very high0 Ų022.4 Ų22.40%012%0.123CC..EExtended strand (participates in β ladder)trans-95.8-22.2176.962.4167.4000113H348 V353 L357 L480 D482 T486 A496 T499H348-I488 PolarHBondContact CE1-O 3.47Å; V353-I488 HydrophobicContact CG1-CD1 4.42Å; L357-I488 HydrophobicContact CD1-CD1 4.43Å; L357-I488 HydrophobicContact CD2-CD1 3.93Å; L480-I488 HydrophobicContact CB-CG1 4.1Å; L480-I488 HydrophobicContact CD2-CD1 3.75Å; L480-I488 HydrophobicContact CD2-CG1 4.02Å; L480-I488 HydrophobicContact CG-CD1 4.03Å; L480-I488 HydrophobicContact CG-CG1 3.94Å; L480-I488 WeakPolarHBondContact O-CG1 3.41Å; L480-I488 PolarHBondContact O-N 3.35Å; D482-I488 HydrophobicContact CB-CG2 4.02Å; T486-I488 PolarHBondContact O-N 2.89Å; I488-A496 PolarHBondContact O-N 3.09Å; I488-T499 HydrophobicContact CB-CG2 4.08Å; I488-T499 HydrophobicContact CG2-CG2 3.84Å
489S93.6Very high90.5Very high2 Ų222.3 Ų22.31%0.01412%0.122CC..EExtended strand (participates in β ladder)trans-144.4142175.4-1710000111.7C479 L480 V487 N495 E511C479-S489 CarbonylContact C-O 2.71Å; C479-S489 VanDerWaalsContact CA-O 3.3Å; C479-S489 WeakPolarHBondContact CA-O 3.37Å; L480-S489 PolarHBondContact N-O 2.88Å; L480-S489 PolarHBondContact O-N 2.74Å; V487-S489 WeakPolarHBondContact CG1-O 3.25Å; S489-N495 PolarHBondContact OG-OD1 3.3Å; S489-E511 WeakPolarHBondContact CB-OE1 3.21Å; S489-E511 PolarHBondContact OG-OE1 3.09Å
490L92.1Very high90.4Very high1 Ų127.2 Ų27.21%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-129.574.5176.4-170.275.3000109.2I367 L427 A438 L441 C479 I493 T494I367-L490 HydrophobicContact CD1-CD1 4.1Å; L427-L490 HydrophobicContact CD2-CD2 4.12Å; A438-L490 HydrophobicContact CB-CD1 4.34Å; A438-L490 HydrophobicContact CB-CD2 3.96Å; L441-L490 HydrophobicContact CD2-CD2 4.13Å; C479-L490 HydrophobicContact CB-CD1 4.24Å; L490-I493 HydrophobicContact CD2-CB 4.28Å; L490-I493 HydrophobicContact CD2-CD1 3.68Å; L490-I493 HydrophobicContact CG-CB 4.48Å; L490-I493 HydrophobicContact CG-CD1 4.05Å; L490-I493 VanDerWaalsContact O-CA 3.32Å; L490-I493 WeakPolarHBondContact O-CA 3.31Å; L490-I493 VanDerWaalsContact O-CB 3.23Å; L490-I493 WeakPolarHBondContact O-CB 3.2Å; L490-I493 PolarHBondContact O-N 3.17Å; L490-T494 PolarHBondContact N-O 3.46Å; L490-T494 PolarHBondContact O-N 3.37Å; L490-T494 VanDerWaalsContact O-N 3.1Å
491P93.4Very high90.4Very high6 Ų627.6 Ų27.64%0.03915%0.146CC..THydrogen-bonded Turntrans-70.8144.2-176.826.8-33.8000112.7Y359 A478 I493 T513Y359-P491 HydrophobicContact CE2-CG 4.06Å; A478-P491 HydrophobicContact CB-CG 4.31Å; A478-P491 WeakPolarHBondContact O-CD 3.39Å; P491-I493 VanDerWaalsContact C-N 3.34Å; P491-T513 HydrophobicContact CB-CG2 4.34Å; P491-T513 VanDerWaalsContact CB-OG1 3.25Å; P491-T513 WeakPolarHBondContact CB-OG1 3.34Å; P491-T513 HydrophobicContact CG-CG2 4.14Å
492P92.6Very high90.4Very high4 Ų429.5 Ų29.53%0.02616%0.16CC..THydrogen-bonded Turncis-85.314.4-2.736.1-38000115R340 T344 Y467 V471R340-P492 HydrophobicContact CB-CB 4.11Å; R340-P492 VanDerWaalsContact CD-O 3.3Å; R340-P492 WeakPolarHBondContact CD-O 3.09Å; R340-P492 PolarHBondContact NH1-O 3.01Å; T344-P492 HydrophobicContact CG2-CB 4.43Å; T344-P492 WeakPolarHBondContact OG1-CA 3.06Å; T344-P492 WeakPolarHBondContact OG1-CB 3.26Å; Y467-P492 HydrophobicContact CD2-CG 4.13Å; V471-P492 HydrophobicContact CG1-CG 4.2Å
493I90.2Very high90.5Very high8 Ų833.2 Ų33.24%0.04118%0.179CC..THydrogen-bonded Turntrans-79.3-65.8-166.1-57.5165.9000111.9R340 L441 V442 L445 V471 L490 P491R340-I493 PolarHBondContact NH1-O 3.46Å; L441-I493 HydrophobicContact CD2-CG2 3.85Å; L441-I493 HydrophobicContact CG-CG2 4.25Å; V442-I493 HydrophobicContact CG2-CD1 3.43Å; V442-I493 VanDerWaalsContact CG2-CD1 3.43Å; L445-I493 HydrophobicContact CD1-CG2 3.39Å; V471-I493 HydrophobicContact CB-CD1 4.32Å; V471-I493 HydrophobicContact CG1-CD1 4.2Å; V471-I493 HydrophobicContact CG1-CG1 4.3Å; V471-I493 HydrophobicContact CG2-CD1 4.1Å; V471-I493 HydrophobicContact CG2-CG1 4.18Å; L490-I493 HydrophobicContact CD2-CB 4.28Å; L490-I493 HydrophobicContact CD2-CD1 3.68Å; L490-I493 HydrophobicContact CG-CB 4.48Å; L490-I493 HydrophobicContact CG-CD1 4.05Å; L490-I493 VanDerWaalsContact O-CA 3.32Å; L490-I493 WeakPolarHBondContact O-CA 3.31Å; L490-I493 VanDerWaalsContact O-CB 3.23Å; L490-I493 WeakPolarHBondContact O-CB 3.2Å; L490-I493 PolarHBondContact O-N 3.17Å; P491-I493 VanDerWaalsContact C-N 3.34Å
494T90.4Very high90.6Very high28 Ų2836.3 Ų36.317%0.17219%0.194CC..EExtended strand (participates in β ladder)trans-164160.4-171.3-170.30000113L427 P429 L430 L441 L490L427-T494 HydrophobicContact CD1-CG2 3.93Å; P429-T494 HydrophobicContact CB-CG2 4.05Å; L430-T494 PolarHBondContact N-OG1 2.89Å; L441-T494 HydrophobicContact CD2-CG2 3.79Å; L490-T494 PolarHBondContact N-O 3.46Å; L490-T494 PolarHBondContact O-N 3.37Å; L490-T494 VanDerWaalsContact O-N 3.1Å
495N90.5Very high91Very high27 Ų2730.9 Ų30.914%0.14417%0.168CC..EExtended strand (participates in β ladder)trans-86.9162.1161.7-67.19.2000110.6A346 T347 H348 L430 S489A346-N495 WeakPolarHBondContact CB-ND2 3.29Å; A346-N495 WeakPolarHBondContact CB-OD1 3.15Å; T347-N495 PolarHBondContact N-ND2 3.09Å; T347-N495 PolarHBondContact O-ND2 3.36Å; H348-N495 PolarHBondContact CE1-ND2 3.01Å; H348-N495 VanDerWaalsContact CE1-ND2 3.35Å; L430-N495 PolarHBondContact N-O 3.3Å; S489-N495 PolarHBondContact OG-OD1 3.3Å
496A87.7Confident91.3Very high4 Ų429.3 Ų29.33%0.03317%0.165CC..BIsolated β-bridgetrans-81.9146.9168.800000111.6V428 V487 I488 K498 T499V428-A496 CarbonylContact O-C 3.33Å; V428-A496 WeakPolarHBondContact O-CA 3.27Å; V487-A496 VanDerWaalsContact O-CB 3.29Å; V487-A496 WeakPolarHBondContact O-CB 3.38Å; I488-A496 PolarHBondContact O-N 3.09Å; A496-K498 PolarHBondContact O-N 3.19Å; A496-T499 PolarHBondContact O-N 2.94Å
497S87.6Confident91.9Very high38 Ų3829.1 Ų29.127%0.26616%0.162SC..G310 helixtrans-63.3-22.7176.2-69.30000113.1V428 P429 T499 K500V428-S497 PolarHBondContact O-N 3.18Å; V428-S497 PolarHBondContact O-OG 3.25Å; P429-S497 PolarHBondContact O-OG 3.21Å; P429-S497 VanDerWaalsContact O-OG 3.1Å; S497-T499 PolarHBondContact O-N 2.87Å; S497-K500 VanDerWaalsContact O-CB 3.27Å; S497-K500 WeakPolarHBondContact O-CB 3.24Å; S497-K500 PolarHBondContact O-N 3.39Å
498K88.6Confident92.2Very high68 Ų6829.1 Ų29.130%0.29616%0.162SC..G310 helixtrans-54.7-36.9177.8-175.8-179.8-176.6-177.60112.9L352 D482 E484 T486 A496L352-K498 VanDerWaalsContact CD1-O 3.31Å; L352-K498 WeakPolarHBondContact CD1-O 3.36Å; D482-K498 IonicContact OD2-NZ 3.84Å; D482-K498 PolarHBondContact OD2-NZ 3.11Å; E484-K498 IonicContact OE2-NZ 2.87Å; E484-K498 PolarHBondContact OE2-NZ 2.71Å; T486-K498 HydrophobicContact CG2-CD 4.01Å; T486-K498 PolarHBondContact OG1-NZ 2.72Å; A496-K498 PolarHBondContact O-N 3.19Å
499T92.6Very high92.6Very high1 Ų129.1 Ų29.11%0.00616%0.162CC..G310 helixtrans-111.123.9-175.154.10000112.5H348 D349 L352 V353 I488 A496 S497 V501H348-T499 WeakPolarHBondContact CA-O 3.3Å; H348-T499 PolarHBondContact ND1-OG1 3Å; D349-T499 PolarHBondContact N-O 3.39Å; L352-T499 HydrophobicContact CB-CG2 4.41Å; V353-T499 HydrophobicContact CG2-CG2 3.92Å; I488-T499 HydrophobicContact CB-CG2 4.08Å; I488-T499 HydrophobicContact CG2-CG2 3.84Å; A496-T499 PolarHBondContact O-N 2.94Å; S497-T499 PolarHBondContact O-N 2.87Å; T499-V501 PolarHBondContact O-N 2.6Å
500K93.2Very high92.8Very high103 Ų10329 Ų2945%0.44816%0.161SC..  trans-64126.7-176177.2174.8-179.4179.90111.8L430 S497L430-K500 HydrophobicContact CD1-CB 3.97Å; L430-K500 HydrophobicContact CD1-CD 3.81Å; L430-K500 HydrophobicContact CD1-CG 3.82Å; S497-K500 VanDerWaalsContact O-CB 3.27Å; S497-K500 WeakPolarHBondContact O-CB 3.24Å; S497-K500 PolarHBondContact O-N 3.39Å
501V93.7Very high93Very high9 Ų929 Ų296%0.05516%0.161CC..  trans-62.8133.6170179.90000110.3F316 L322 F325 T499 T505 V508F316-V501 HydrophobicContact CE2-CG1 3.72Å; F316-V501 HydrophobicContact CZ-CG1 4.11Å; L322-V501 HydrophobicContact CD1-CG1 3.91Å; F325-V501 HydrophobicContact CE1-CG1 4.18Å; T499-V501 PolarHBondContact O-N 2.6Å; V501-T505 HydrophobicContact CG1-CG2 4.04Å; V501-V508 HydrophobicContact CG2-CG2 4.26Å
502S92.8Very high93.3Very high42 Ų4228.7 Ų28.729%0.29416%0.159SC..  trans-133.2-177.1-176.880.10000111.3F316 T504 T505F316-S502 WeakPolarHBondContact CD2-O 3.43Å; S502-T504 PolarHBondContact O-N 3.31Å; S502-T504 PolarHBondContact OG-N 3.34Å; S502-T504 PolarHBondContact OG-OG1 3.33Å; S502-T505 PolarHBondContact N-OG1 2.83Å; S502-T505 WeakPolarHBondContact O-CB 3.16Å; S502-T505 PolarHBondContact O-N 3.2Å; S502-T505 PolarHBondContact O-OG1 2.97Å
503L92.8Very high93.5Very high77 Ų7728.5 Ų28.540%0.40316%0.158SC..THydrogen-bonded Turntrans-65.1-22.8176.9-68.2173000113.3F316 D318 E319 L322F316-L503 HydrophobicContact CB-CD2 4.24Å; D318-L503 WeakPolarHBondContact O-CD2 3.27Å; E319-L503 HydrophobicContact CG-CD1 4.31Å; L322-L503 HydrophobicContact CB-CD2 3.96Å; L322-L503 HydrophobicContact CD2-CD2 3.96Å; L322-L503 HydrophobicContact CD2-CG 4.12Å
504T92.5Very high93.8Very high107 Ų10728.1 Ų28.166%0.65616%0.156SC*.THydrogen-bonded Turntrans-94.4-1.8-17958.20000113.3S502 T506S502-T504 PolarHBondContact O-N 3.31Å; S502-T504 PolarHBondContact OG-N 3.34Å; S502-T504 PolarHBondContact OG-OG1 3.33Å; T504-T506 PolarHBondContact O-N 3.16Å
505T94.6Very high93.9Very high1 Ų129.2 Ų29.21%0.00617%0.165CC..  trans-70.3123.3179.1-55.10000110F316 D349 V501 S502 D507 V508F316-T505 WeakPolarHBondContact CD2-O 3.47Å; D349-T505 HydrophobicContact CB-CG2 3.9Å; D349-T505 VanDerWaalsContact CG-OG1 3.31Å; D349-T505 WeakPolarHBondContact OD2-CB 3.18Å; D349-T505 PolarHBondContact OD2-OG1 2.9Å; V501-T505 HydrophobicContact CG1-CG2 4.04Å; S502-T505 PolarHBondContact N-OG1 2.83Å; S502-T505 WeakPolarHBondContact O-CB 3.16Å; S502-T505 PolarHBondContact O-N 3.2Å; S502-T505 PolarHBondContact O-OG1 2.97Å; T505-D507 WeakPolarHBondContact CG2-O 3.26Å; T505-V508 HydrophobicContact CG2-CG2 3.55Å
506T93.6Very high94Very high48 Ų4832.1 Ų32.129%0.29418%0.178SC..  trans-104.8-35.3177.850.70000112.3G313 L314 K351 T504G313-T506 PolarHBondContact N-O 3.25Å; L314-T506 WeakPolarHBondContact CB-O 3.34Å; L314-T506 PolarHBondContact N-O 3.5Å; L314-T506 WeakPolarHBondContact O-CA 3.5Å; K351-T506 WeakPolarHBondContact CE-OG1 3.36Å; K351-T506 PolarHBondContact NZ-OG1 3.39Å; T504-T506 PolarHBondContact O-N 3.16Å
507D96Very high94.4Very high37 Ų3733.6 Ų33.620%0.19819%0.188CC..  trans-128.4134.2-173.8-47.9-64.5000108.2V311 K312 G313 L350 T505V311-D507 CarbonylContact O-C 3.51Å; V311-D507 WeakPolarHBondContact O-CA 3.32Å; K312-D507 WeakPolarHBondContact CA-OD1 3.49Å; K312-D507 VanDerWaalsContact CB-OD1 3.31Å; K312-D507 WeakPolarHBondContact CB-OD1 3.1Å; K312-D507 HydrophobicContact CG-CB 4.46Å; G313-D507 PolarHBondContact N-OD1 3.18Å; L350-D507 HydrophobicContact CB-CB 3.97Å; L350-D507 VanDerWaalsContact CB-O 3.27Å; L350-D507 WeakPolarHBondContact CB-O 3.49Å; L350-D507 HydrophobicContact CD2-CB 3.73Å; L350-D507 PolarHBondContact N-O 2.82Å; T505-D507 WeakPolarHBondContact CG2-O 3.26Å
508V97.3Very high94.8Very high0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-126.5123.3-171.7173.20000109.4I310 V311 L314 T347 H348 V501 T505 V510I310-V508 WeakPolarHBondContact CA-O 3.4Å; V311-V508 PolarHBondContact N-O 3.45Å; V311-V508 PolarHBondContact O-N 3.16Å; L314-V508 HydrophobicContact CD1-CB 4.05Å; L314-V508 HydrophobicContact CD1-CG2 3.65Å; T347-V508 HydrophobicContact CG2-CG1 4.05Å; H348-V508 CarbonylContact O-C 3.6Å; H348-V508 VanDerWaalsContact O-CA 3.31Å; H348-V508 WeakPolarHBondContact O-CA 2.96Å; V501-V508 HydrophobicContact CG2-CG2 4.26Å; T505-V508 HydrophobicContact CG2-CG2 3.55Å; V508-V510 HydrophobicContact CG1-CG2 3.98Å; V508-V510 PolarHBondContact O-N 3.48Å
509L98Very high95Very high1 Ų134.6 Ų34.61%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-75.9120.4163172.468.2000108.1I293 C308 I310 T347 H348 L350 V353 L357I293-L509 HydrophobicContact CD1-CD1 4.48Å; C308-L509 HydrophobicContact CB-CD1 4.1Å; I310-L509 HydrophobicContact CG1-CB 4.48Å; I310-L509 HydrophobicContact CG1-CD1 3.9Å; T347-L509 WeakPolarHBondContact CA-O 3.26Å; H348-L509 HydrophobicContact CB-CB 4.25Å; H348-L509 PolarHBondContact N-O 2.91Å; H348-L509 PolarHBondContact O-N 3.18Å; L350-L509 HydrophobicContact CD1-CB 4.17Å; V353-L509 HydrophobicContact CG1-CD2 4.32Å; V353-L509 HydrophobicContact CG2-CD2 4.44Å; L357-L509 HydrophobicContact CD1-CD2 3.59Å
510V98.1Very high95.1Very high0 Ų035.8 Ų35.80%021%0.207CC..EExtended strand (participates in β ladder)trans-105120.2175-171.70000107.8C308 C309 V311 I345 T347 V508 M525 F528C308-V510 CarbonylContact C-O 3.05Å; C308-V510 WeakPolarHBondContact CA-O 3.35Å; C309-V510 PolarHBondContact N-O 3.07Å; C309-V510 PolarHBondContact O-N 2.92Å; V311-V510 HydrophobicContact CG2-CG2 3.72Å; I345-V510 HydrophobicContact CG2-CG1 4.31Å; T347-V510 HydrophobicContact CG2-CG1 4.42Å; T347-V510 HydrophobicContact CG2-CG2 4.36Å; V508-V510 HydrophobicContact CG1-CG2 3.98Å; V508-V510 PolarHBondContact O-N 3.48Å; V510-M525 HydrophobicContact CB-CE 4.24Å; V510-M525 HydrophobicContact CB-SD 4.18Å; V510-M525 HydrophobicContact CG1-CE 3.92Å; V510-M525 HydrophobicContact CG1-SD 3.63Å; V510-F528 HydrophobicContact CB-CE1 4.39Å; V510-F528 HydrophobicContact CG1-CD1 4.04Å; V510-F528 HydrophobicContact CG1-CE1 3.9Å; V510-F528 HydrophobicContact CG1-CG 4.47Å; V510-F528 HydrophobicContact CG1-CZ 4.17Å; V510-F528 HydrophobicContact CG2-CD1 4.45Å; V510-F528 HydrophobicContact CG2-CE1 3.62Å; V510-F528 HydrophobicContact CG2-CZ 3.93Å
511E97.6Very high95.2Very high0 Ų030.9 Ų30.90%019%0.186CC..EExtended strand (participates in β ladder)trans-107.8141.2171.463.6166-148.500110.4I345 A346 H348 L480 S489I345-E511 WeakPolarHBondContact CA-O 3.41Å; A346-E511 HydrophobicContact CB-CG 3.37Å; A346-E511 WeakPolarHBondContact CB-OE1 3.34Å; A346-E511 PolarHBondContact N-O 2.44Å; A346-E511 WeakPolarHBondContact O-CG 3.39Å; A346-E511 PolarHBondContact O-N 2.62Å; H348-E511 IonicContact NE2-OE1 2.7Å; H348-E511 IonicContact NE2-OE2 3.75Å; L480-E511 WeakPolarHBondContact CD2-OE2 3.47Å; S489-E511 WeakPolarHBondContact CB-OE1 3.21Å; S489-E511 PolarHBondContact OG-OE1 3.09Å
512V98.3Very high95.3Very high0 Ų033.5 Ų33.50%020%0.197CC..EExtended strand (participates in β ladder)trans-128.6119.1169.9178.50000109.1I306 I307 T344 I345 C521 I524 M525I306-V512 WeakPolarHBondContact CA-O 3.07Å; I307-V512 HydrophobicContact CG1-CB 4.05Å; I307-V512 PolarHBondContact N-O 3.08Å; I307-V512 PolarHBondContact O-N 3.25Å; T344-V512 WeakPolarHBondContact O-CA 3.42Å; I345-V512 HydrophobicContact CG1-CG2 4.19Å; V512-C521 HydrophobicContact CB-CB 4.49Å; V512-C521 HydrophobicContact CG1-CB 3.91Å; V512-I524 HydrophobicContact CG1-CB 3.95Å; V512-I524 HydrophobicContact CG1-CD1 4.41Å; V512-I524 HydrophobicContact CG1-CG2 3.75Å; V512-I524 HydrophobicContact CG2-CG2 4.09Å; V512-M525 HydrophobicContact CB-CE 4.2Å; V512-M525 HydrophobicContact CG2-CB 4.23Å; V512-M525 HydrophobicContact CG2-CE 3.59Å; V512-M525 HydrophobicContact CG2-SD 4Å
513T97.8Very high95.4Very high0 Ų037.4 Ų37.40%021%0.205CC..EExtended strand (participates in β ladder)trans-113.7144.3178.263.10000112.1R303 Y305 I306 G343 T344 Y359 P491R303-T513 PolarHBondContact NE-O 2.82Å; R303-T513 PolarHBondContact NE-OG1 2.99Å; R303-T513 PolarHBondContact NH2-O 3.03Å; Y305-T513 CarbonylContact O-C 3.08Å; Y305-T513 WeakPolarHBondContact O-CA 3.44Å; I306-T513 HydrophobicContact CB-CG2 4.18Å; I306-T513 HydrophobicContact CD1-CG2 4.04Å; I306-T513 HydrophobicContact CG1-CG2 3.93Å; G343-T513 CarbonylContact C-O 3.32Å; G343-T513 WeakPolarHBondContact CA-O 3.39Å; T344-T513 PolarHBondContact N-O 2.88Å; T344-T513 PolarHBondContact O-N 3.3Å; Y359-T513 HydrophobicContact CE2-CG2 3.94Å; P491-T513 HydrophobicContact CB-CG2 4.34Å; P491-T513 VanDerWaalsContact CB-OG1 3.25Å; P491-T513 WeakPolarHBondContact CB-OG1 3.34Å; P491-T513 HydrophobicContact CG-CG2 4.14Å
514S96.4Very high95.5Very high0 Ų033.8 Ų33.80%019%0.186CC..EExtended strand (participates in β ladder)trans-144.6152.8178.7-177.80000111.5R303 Y305 A342 E516 C521R303-S514 WeakPolarHBondContact CG-O 3.41Å; Y305-S514 WeakPolarHBondContact CB-O 3.34Å; Y305-S514 WeakPolarHBondContact CD2-O 3.33Å; Y305-S514 PolarHBondContact N-O 3.19Å; Y305-S514 PolarHBondContact O-N 3.21Å; A342-S514 WeakPolarHBondContact O-CB 3.39Å; A342-S514 PolarHBondContact O-OG 3.16Å; S514-E516 PolarHBondContact OG-N 3.49Å; S514-C521 WeakPolarHBondContact CB-SG 3.42Å
515S92.8Very high95.8Very high51 Ų5128.7 Ų28.736%0.35716%0.155SC..SBendtrans-94.6-5.9166.546.80000112.8R303R303-S515 PolarHBondContact NH1-OG 3.38Å
516E92Very high95.7Very high88 Ų8830.5 Ų30.541%0.41116%0.163SC..SBendtrans-95.8-62-172.3-61.5-178.3172.100112.6Y305 A342 S514 T520Y305-E516 VanDerWaalsContact CE2-O 3.24Å; Y305-E516 WeakPolarHBondContact CE2-O 3.49Å; A342-E516 WeakPolarHBondContact CA-OE1 3.35Å; A342-E516 VanDerWaalsContact CB-OE1 3.31Å; A342-E516 WeakPolarHBondContact CB-OE1 3.4Å; S514-E516 PolarHBondContact OG-N 3.49Å; E516-T520 WeakPolarHBondContact OE2-CG2 3.31Å; E516-T520 PolarHBondContact OE2-OG1 3Å
517S95.5Very high95.7Very high35 Ų3531 Ų3125%0.24516%0.164CC..  trans-167.1163.9-177.4700000112.7Y305 A519 T520 C521Y305-S517 VanDerWaalsContact CD2-N 3.34Å; S517-A519 VanDerWaalsContact C-N 3.27Å; S517-A519 PolarHBondContact O-N 3.09Å; S517-A519 PolarHBondContact OG-N 2.67Å; S517-T520 PolarHBondContact O-N 2.68Å; S517-T520 PolarHBondContact OG-N 2.7Å; S517-T520 PolarHBondContact OG-OG1 2.82Å; S517-T520 VanDerWaalsContact OG-OG1 3.05Å; S517-C521 PolarHBondContact O-N 3.25Å
518F95.5Very high95.7Very high58 Ų5829.3 Ų29.325%0.25415%0.154SC..Hα-helixtrans-62.6-32.7166.1-75.3-64.1000112.7Y305 I307 T520 C521 K522 K568Y305-F518 HydrophobicContact CD1-CD1 4.02Å; Y305-F518 AromaticContact CD1-CD2 3.5Å; Y305-F518 HydrophobicContact CD1-CD2 3.5Å; Y305-F518 HydrophobicContact CD1-CE1 4.04Å; Y305-F518 AromaticContact CD1-CE2 3.54Å; Y305-F518 HydrophobicContact CD1-CE2 3.54Å; Y305-F518 AromaticContact CD1-CG 3.75Å; Y305-F518 HydrophobicContact CD1-CG 3.75Å; Y305-F518 AromaticContact CD1-CZ 3.8Å; Y305-F518 HydrophobicContact CD1-CZ 3.8Å; Y305-F518 AromaticContact CE1-CD2 3.83Å; Y305-F518 HydrophobicContact CE1-CD2 3.83Å; Y305-F518 AromaticContact CE1-CE2 3.89Å; Y305-F518 HydrophobicContact CE1-CE2 3.89Å; Y305-F518 HydrophobicContact CE1-CG 4.44Å; I307-F518 HydrophobicContact CG2-CD1 3.85Å; I307-F518 HydrophobicContact CG2-CE1 4.35Å; F518-T520 VanDerWaalsContact C-N 3.35Å; F518-C521 WeakPolarHBondContact O-CB 3.08Å; F518-C521 PolarHBondContact O-N 2.84Å; F518-K522 WeakPolarHBondContact O-CG 3.18Å; F518-K522 PolarHBondContact O-N 3.49Å; F518-K568 HydrophobicContact CZ-CD 4.42Å; F518-K568 HydrophobicContact CZ-CG 4.08Å
519A93.4Very high95.6Very high69 Ų6929.3 Ų29.357%0.5715%0.154SC*.Hα-helixtrans-63.5-41.3177.500000111.4S517 C521 K522 R523S517-A519 VanDerWaalsContact C-N 3.27Å; S517-A519 PolarHBondContact O-N 3.09Å; S517-A519 PolarHBondContact OG-N 2.67Å; A519-C521 VanDerWaalsContact C-N 3.34Å; A519-C521 PolarHBondContact O-N 3.34Å; A519-K522 PolarHBondContact O-N 3.35Å; A519-R523 WeakPolarHBondContact O-CB 3.5Å; A519-R523 PolarHBondContact O-N 2.81Å
520T94.1Very high95.3Very high26 Ų2630.3 Ų30.316%0.1616%0.163CC..Hα-helixtrans-58.7-46.6171.9-580000110.4A342 E516 S517 F518 I524A342-T520 HydrophobicContact CB-CG2 4.32Å; A342-T520 WeakPolarHBondContact O-CG2 3.29Å; E516-T520 WeakPolarHBondContact OE2-CG2 3.31Å; E516-T520 PolarHBondContact OE2-OG1 3Å; S517-T520 PolarHBondContact O-N 2.68Å; S517-T520 PolarHBondContact OG-N 2.7Å; S517-T520 PolarHBondContact OG-OG1 2.82Å; S517-T520 VanDerWaalsContact OG-OG1 3.05Å; F518-T520 VanDerWaalsContact C-N 3.35Å; T520-I524 HydrophobicContact CG2-CD1 3.84Å; T520-I524 WeakPolarHBondContact O-CD1 3.35Å; T520-I524 VanDerWaalsContact O-CG1 3.25Å; T520-I524 WeakPolarHBondContact O-CG1 3.37Å; T520-I524 PolarHBondContact O-N 3.03Å; T520-I524 VanDerWaalsContact O-N 3.11Å
521C97Very high95Very high0 Ų032.9 Ų32.90%017%0.173CC..Hα-helixtrans-59.6-48.5176.8-68.20000112.4I307 V512 S514 S517 F518 A519 I524 M525I307-C521 HydrophobicContact CD1-CB 3.69Å; I307-C521 WeakPolarHBondContact CD1-O 3.2Å; I307-C521 HydrophobicContact CG1-CB 3.82Å; I307-C521 HydrophobicContact CG2-CB 4.08Å; V512-C521 HydrophobicContact CB-CB 4.49Å; V512-C521 HydrophobicContact CG1-CB 3.91Å; S514-C521 WeakPolarHBondContact CB-SG 3.42Å; S517-C521 PolarHBondContact O-N 3.25Å; F518-C521 WeakPolarHBondContact O-CB 3.08Å; F518-C521 PolarHBondContact O-N 2.84Å; A519-C521 VanDerWaalsContact C-N 3.34Å; A519-C521 PolarHBondContact O-N 3.34Å; C521-I524 PolarHBondContact O-N 3.44Å; C521-M525 PolarHBondContact O-N 3.33Å
522K95.5Very high94.7Very high63 Ų6332.9 Ų32.927%0.27417%0.173SC..Hα-helixtrans-59.5-49.2-178.9-75.7-177.7168.4-142.90111.7I307 F518 A519 I524 M525 E526 Y571 D576I307-K522 HydrophobicContact CD1-CB 4.41Å; I307-K522 HydrophobicContact CD1-CG 4.02Å; F518-K522 WeakPolarHBondContact O-CG 3.18Å; F518-K522 PolarHBondContact O-N 3.49Å; A519-K522 PolarHBondContact O-N 3.35Å; K522-I524 VanDerWaalsContact C-N 3.3Å; K522-I524 PolarHBondContact O-N 3.22Å; K522-M525 WeakPolarHBondContact O-CB 3.5Å; K522-M525 PolarHBondContact O-N 3.14Å; K522-E526 WeakPolarHBondContact O-CG 3.45Å; K522-E526 PolarHBondContact O-N 2.91Å; K522-Y571 HydrophobicContact CG-CD2 4.27Å; K522-D576 WeakPolarHBondContact CE-OD1 3.23Å; K522-D576 IonicContact NZ-OD1 3.45Å; K522-D576 PolarHBondContact NZ-OD1 2.88Å; K522-D576 IonicContact NZ-OD2 2.74Å
523R94.3Very high94.3Very high124 Ų12433.1 Ų33.147%0.46818%0.175SC..Hα-helixtrans-56.4-43.6176.4177.9179.5175.71494.5112.4V336 A519 M525 L527V336-R523 HydrophobicContact CG2-CG 4.47Å; A519-R523 WeakPolarHBondContact O-CB 3.5Å; A519-R523 PolarHBondContact O-N 2.81Å; R523-M525 VanDerWaalsContact C-N 3.34Å; R523-L527 HydrophobicContact CG-CD1 4.24Å; R523-L527 WeakPolarHBondContact O-CB 3.3Å; R523-L527 WeakPolarHBondContact O-CG 3.05Å; R523-L527 PolarHBondContact O-N 3.32Å; R523-L527 VanDerWaalsContact O-N 3.1Å
524I95.9Very high93.7Very high1 Ų137.6 Ų37.61%0.00520%0.198CC..Hα-helixtrans-64.2-42.3177.9-71168.4000110.5V336 I345 V512 T520 C521 K522 F528V336-I524 HydrophobicContact CG1-CG1 4.06Å; V336-I524 HydrophobicContact CG2-CG1 3.79Å; I345-I524 HydrophobicContact CD1-CG2 3.69Å; I345-I524 HydrophobicContact CG1-CG2 3.4Å; V512-I524 HydrophobicContact CG1-CB 3.95Å; V512-I524 HydrophobicContact CG1-CD1 4.41Å; V512-I524 HydrophobicContact CG1-CG2 3.75Å; V512-I524 HydrophobicContact CG2-CG2 4.09Å; T520-I524 HydrophobicContact CG2-CD1 3.84Å; T520-I524 WeakPolarHBondContact O-CD1 3.35Å; T520-I524 VanDerWaalsContact O-CG1 3.25Å; T520-I524 WeakPolarHBondContact O-CG1 3.37Å; T520-I524 PolarHBondContact O-N 3.03Å; T520-I524 VanDerWaalsContact O-N 3.11Å; C521-I524 PolarHBondContact O-N 3.44Å; K522-I524 VanDerWaalsContact C-N 3.3Å; K522-I524 PolarHBondContact O-N 3.22Å; I524-F528 WeakPolarHBondContact O-CB 3.23Å; I524-F528 PolarHBondContact O-N 2.87Å
525M97.2Very high93.1Very high0 Ų038.8 Ų38.80%020%0.203CC..Hα-helixtrans-66.4-43.9178.7-171.267.486.500112.1I307 V510 V512 C521 K522 R523 L527 F528 I529 Y571I307-M525 HydrophobicContact CD1-CB 3.81Å; I307-M525 HydrophobicContact CD1-CE 4.45Å; I307-M525 HydrophobicContact CD1-CG 4.35Å; I307-M525 HydrophobicContact CG1-CE 4.03Å; V510-M525 HydrophobicContact CB-CE 4.24Å; V510-M525 HydrophobicContact CB-SD 4.18Å; V510-M525 HydrophobicContact CG1-CE 3.92Å; V510-M525 HydrophobicContact CG1-SD 3.63Å; V512-M525 HydrophobicContact CB-CE 4.2Å; V512-M525 HydrophobicContact CG2-CB 4.23Å; V512-M525 HydrophobicContact CG2-CE 3.59Å; V512-M525 HydrophobicContact CG2-SD 4Å; C521-M525 PolarHBondContact O-N 3.33Å; K522-M525 WeakPolarHBondContact O-CB 3.5Å; K522-M525 PolarHBondContact O-N 3.14Å; R523-M525 VanDerWaalsContact C-N 3.34Å; M525-L527 PolarHBondContact O-N 3.31Å; M525-F528 WeakPolarHBondContact O-CB 3.44Å; M525-F528 PolarHBondContact O-N 3.44Å; M525-F528 VanDerWaalsContact O-N 3.13Å; M525-I529 WeakPolarHBondContact O-CG1 3.28Å; M525-I529 PolarHBondContact O-N 3.39Å; M525-Y571 HydrophobicContact CB-CE1 4.13Å; M525-Y571 HydrophobicContact CB-CE2 4.42Å; M525-Y571 HydrophobicContact CG-CD1 3.7Å; M525-Y571 HydrophobicContact CG-CE1 3.13Å; M525-Y571 HydrophobicContact CG-CE2 4.25Å; M525-Y571 HydrophobicContact CG-CG 4.48Å; M525-Y571 VanDerWaalsContact CG-CZ 3.44Å; M525-Y571 HydrophobicContact SD-CE1 4.39Å
526E94.3Very high92.7Very high40 Ų4037.8 Ų37.819%0.18719%0.193CC..Hα-helixtrans-60.8-43.9175.9-72.9-179.9145.800111.7K522 F528 I529 A530 Y571 L577K522-E526 WeakPolarHBondContact O-CG 3.45Å; K522-E526 PolarHBondContact O-N 2.91Å; E526-F528 VanDerWaalsContact C-N 3.32Å; E526-F528 PolarHBondContact O-N 3.44Å; E526-I529 PolarHBondContact O-N 2.98Å; E526-A530 WeakPolarHBondContact O-CB 3.41Å; E526-A530 PolarHBondContact O-N 2.93Å; E526-Y571 HydrophobicContact CG-CE2 4.42Å; E526-Y571 WeakPolarHBondContact CG-OH 3.35Å; E526-L577 PolarHBondContact OE1-N 2.91Å
527L93.4Very high92.1Very high58 Ų5835.3 Ų35.330%0.30418%0.184SC..Hα-helixtrans-65.5-34.9174.4-74.1169.4000112.5L332 V336 R523 M525 Y531L332-L527 HydrophobicContact CD2-CB 4.22Å; V336-L527 HydrophobicContact CB-CD1 3.96Å; V336-L527 HydrophobicContact CG1-CD1 4.28Å; V336-L527 HydrophobicContact CG2-CD1 3.62Å; R523-L527 HydrophobicContact CG-CD1 4.24Å; R523-L527 WeakPolarHBondContact O-CB 3.3Å; R523-L527 WeakPolarHBondContact O-CG 3.05Å; R523-L527 PolarHBondContact O-N 3.32Å; R523-L527 VanDerWaalsContact O-N 3.1Å; M525-L527 PolarHBondContact O-N 3.31Å; L527-Y531 WeakPolarHBondContact O-CB 3.1Å; L527-Y531 VanDerWaalsContact O-CD2 3.24Å; L527-Y531 WeakPolarHBondContact O-CD2 3.29Å; L527-Y531 PolarHBondContact O-N 2.83Å
528F95.7Very high91.2Very high1 Ų138.2 Ų38.20%0.00420%0.197CC..Hα-helixtrans-61-47.7171.9174.6-87.9000111.2V311 F325 Q329 L332 I345 T347 V510 I524 M525 E526 Y531 L532V311-F528 HydrophobicContact CG2-CE1 4.49Å; F325-F528 HydrophobicContact CE2-CE2 4.37Å; F325-F528 AromaticContact CE2-CZ 3.91Å; F325-F528 HydrophobicContact CE2-CZ 3.91Å; F325-F528 HydrophobicContact CZ-CZ 4.16Å; Q329-F528 HydrophobicContact CG-CE2 3.94Å; L332-F528 HydrophobicContact CD1-CB 3.97Å; L332-F528 HydrophobicContact CD1-CD2 4.01Å; L332-F528 HydrophobicContact CD1-CG 4.46Å; I345-F528 HydrophobicContact CD1-CD2 4.39Å; I345-F528 HydrophobicContact CG2-CD2 4.01Å; I345-F528 HydrophobicContact CG2-CE2 4.25Å; T347-F528 HydrophobicContact CG2-CE2 4.14Å; T347-F528 HydrophobicContact CG2-CZ 4.07Å; V510-F528 HydrophobicContact CB-CE1 4.39Å; V510-F528 HydrophobicContact CG1-CD1 4.04Å; V510-F528 HydrophobicContact CG1-CE1 3.9Å; V510-F528 HydrophobicContact CG1-CG 4.47Å; V510-F528 HydrophobicContact CG1-CZ 4.17Å; V510-F528 HydrophobicContact CG2-CD1 4.45Å; V510-F528 HydrophobicContact CG2-CE1 3.62Å; V510-F528 HydrophobicContact CG2-CZ 3.93Å; I524-F528 WeakPolarHBondContact O-CB 3.23Å; I524-F528 PolarHBondContact O-N 2.87Å; M525-F528 WeakPolarHBondContact O-CB 3.44Å; M525-F528 PolarHBondContact O-N 3.44Å; M525-F528 VanDerWaalsContact O-N 3.13Å; E526-F528 VanDerWaalsContact C-N 3.32Å; E526-F528 PolarHBondContact O-N 3.44Å; F528-Y531 PolarHBondContact O-N 2.72Å; F528-L532 HydrophobicContact CE1-CD2 4.39Å; F528-L532 WeakPolarHBondContact O-CB 3.35Å; F528-L532 PolarHBondContact O-N 3.47Å
529I95.1Very high90.1Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-64.1-43.3177.5-61-56.7000111.5I282 V311 M525 E526 Y531 L532 L533 I552 L554 L577 L580I282-I529 HydrophobicContact CD1-CG2 4.06Å; V311-I529 HydrophobicContact CG2-CD1 4.1Å; M525-I529 WeakPolarHBondContact O-CG1 3.28Å; M525-I529 PolarHBondContact O-N 3.39Å; E526-I529 PolarHBondContact O-N 2.98Å; I529-Y531 VanDerWaalsContact C-N 3.34Å; I529-Y531 PolarHBondContact O-N 3.34Å; I529-L532 WeakPolarHBondContact O-CB 3.49Å; I529-L532 PolarHBondContact O-N 3.37Å; I529-L533 HydrophobicContact CG2-CD1 4.49Å; I529-L533 WeakPolarHBondContact O-CG 3.21Å; I529-L533 PolarHBondContact O-N 2.87Å; I529-I552 HydrophobicContact CG2-CD1 4.08Å; I529-L554 HydrophobicContact CD1-CD1 4.1Å; I529-L554 HydrophobicContact CD1-CD2 3.75Å; I529-L554 HydrophobicContact CG1-CD1 4.23Å; I529-L554 HydrophobicContact CG2-CD1 4.15Å; I529-L577 HydrophobicContact CG2-CD2 4.46Å; I529-L580 HydrophobicContact CB-CD1 4.18Å; I529-L580 HydrophobicContact CG2-CD1 3.67Å
530A91.2Very high88.8Confident23 Ų2336.5 Ų36.519%0.1918%0.178CC..Hα-helixtrans-56.4-48.8176.500000111.7E526 L532 L533 I534 L580E526-A530 WeakPolarHBondContact O-CB 3.41Å; E526-A530 PolarHBondContact O-N 2.93Å; A530-L532 VanDerWaalsContact C-N 3.33Å; A530-L533 PolarHBondContact O-N 2.84Å; A530-I534 WeakPolarHBondContact O-CG1 3.07Å; A530-I534 PolarHBondContact O-N 2.88Å; A530-I534 VanDerWaalsContact O-N 3.16Å; A530-L580 HydrophobicContact CB-CD2 3.55Å
531Y91Very high87.2Confident53 Ų5337.4 Ų37.421%0.20819%0.188CC..Hα-helixtrans-68.7-33.5178.7-90.8-101.1000112.7M328 K331 L332 L527 F528 I529 I534 H535M328-Y531 VanDerWaalsContact CE-O 3.31Å; M328-Y531 WeakPolarHBondContact CE-O 3.27Å; M328-Y531 HydrophobicContact CG-CD1 4.09Å; M328-Y531 HydrophobicContact CG-CG 4.25Å; K331-Y531 HydrophobicContact CD-CE1 4.01Å; K331-Y531 PolarHBondContact NZ-OH 3.36Å; L332-Y531 HydrophobicContact CD2-CD2 4.13Å; L332-Y531 HydrophobicContact CD2-CE2 4.29Å; L527-Y531 WeakPolarHBondContact O-CB 3.1Å; L527-Y531 VanDerWaalsContact O-CD2 3.24Å; L527-Y531 WeakPolarHBondContact O-CD2 3.29Å; L527-Y531 PolarHBondContact O-N 2.83Å; F528-Y531 PolarHBondContact O-N 2.72Å; I529-Y531 VanDerWaalsContact C-N 3.34Å; I529-Y531 PolarHBondContact O-N 3.34Å; Y531-I534 PolarHBondContact O-N 3.48Å; Y531-H535 WeakPolarHBondContact O-CB 3.25Å; Y531-H535 PolarHBondContact O-N 3.23Å
532L92.5Very high85.5Confident1 Ų145.4 Ų45.41%0.00522%0.223CC..Hα-helixtrans-61.7-48.2174.1178.665.4000111.2V311 L314 F325 M328 F528 I529 A530 I534 H535 L536 I552V311-L532 HydrophobicContact CG1-CD2 3.64Å; V311-L532 HydrophobicContact CG2-CD2 4.28Å; L314-L532 HydrophobicContact CD2-CD1 4Å; L314-L532 HydrophobicContact CD2-CD2 4.21Å; F325-L532 HydrophobicContact CD2-CD1 4.07Å; F325-L532 HydrophobicContact CE2-CD1 4.08Å; M328-L532 HydrophobicContact SD-CB 4.49Å; F528-L532 HydrophobicContact CE1-CD2 4.39Å; F528-L532 WeakPolarHBondContact O-CB 3.35Å; F528-L532 PolarHBondContact O-N 3.47Å; I529-L532 WeakPolarHBondContact O-CB 3.49Å; I529-L532 PolarHBondContact O-N 3.37Å; A530-L532 VanDerWaalsContact C-N 3.33Å; L532-I534 PolarHBondContact O-N 2.82Å; L532-H535 WeakPolarHBondContact O-CB 3.37Å; L532-H535 PolarHBondContact O-N 2.84Å; L532-H535 VanDerWaalsContact O-N 3.16Å; L532-L536 HydrophobicContact CD1-CD1 4.07Å; L532-L536 HydrophobicContact CD1-CG 4.15Å; L532-L536 HydrophobicContact CG-CD1 3.95Å; L532-L536 HydrophobicContact CG-CG 4.42Å; L532-L536 VanDerWaalsContact O-CG 3.31Å; L532-L536 WeakPolarHBondContact O-CG 3.3Å; L532-L536 PolarHBondContact O-N 3.04Å; L532-I552 HydrophobicContact CD2-CD1 4.45Å
533L88.7Confident83.7Confident5 Ų547.8 Ų47.83%0.02623%0.233CC..Hα-helixtrans-56-52175.5-71.4172.2000111.1N280 I282 I529 A530 H535 L536 T537 V550 I552 A582N280-L533 HydrophobicContact CB-CD2 4.26Å; I282-L533 HydrophobicContact CD1-CD1 4Å; I282-L533 HydrophobicContact CG1-CD1 4.24Å; I282-L533 HydrophobicContact CG1-CD2 4.44Å; I529-L533 HydrophobicContact CG2-CD1 4.49Å; I529-L533 WeakPolarHBondContact O-CG 3.21Å; I529-L533 PolarHBondContact O-N 2.87Å; A530-L533 PolarHBondContact O-N 2.84Å; L533-H535 PolarHBondContact O-N 3.41Å; L533-L536 PolarHBondContact O-N 2.96Å; L533-L536 VanDerWaalsContact O-N 3.15Å; L533-T537 PolarHBondContact O-N 3.32Å; L533-T537 PolarHBondContact O-OG1 3.35Å; L533-V550 HydrophobicContact CD2-CG2 3.75Å; L533-I552 HydrophobicContact CD2-CD1 3.59Å; L533-I552 HydrophobicContact CD2-CG1 3.83Å; L533-I552 HydrophobicContact CD2-CG2 4.25Å; L533-I552 HydrophobicContact CG-CD1 4.09Å; L533-A582 HydrophobicContact CD1-CB 3.88Å
534I85.5Confident81.7Confident94 Ų9445.4 Ų45.448%0.48225%0.247SC..Hα-helixtrans-55.9-42.1177.7-66.7166.3000111.2A530 Y531 L532 N538A530-I534 WeakPolarHBondContact O-CG1 3.07Å; A530-I534 PolarHBondContact O-N 2.88Å; A530-I534 VanDerWaalsContact O-N 3.16Å; Y531-I534 PolarHBondContact O-N 3.48Å; L532-I534 PolarHBondContact O-N 2.82Å; I534-N538 VanDerWaalsContact CG2-ND2 3.35Å; I534-N538 WeakPolarHBondContact CG2-ND2 3.44Å; I534-N538 VanDerWaalsContact O-CB 3.32Å; I534-N538 WeakPolarHBondContact O-CB 3.2Å; I534-N538 VanDerWaalsContact O-CG 3.25Å; I534-N538 PolarHBondContact O-N 3.47Å; I534-N538 VanDerWaalsContact O-N 3.08Å; I534-N538 PolarHBondContact O-ND2 3.36Å
535H83.6Confident79.6Confident25 Ų2550.6 Ų50.612%0.11627%0.272CS..Hα-helixtrans-64.7-46.517917053000112.2S321 A324 M328 Y531 L532 L533 N538 H539S321-H535 PolarHBondContact O-CE1 3.03Å; S321-H535 PolarHBondContact O-NE2 2.83Å; A324-H535 VanDerWaalsContact CB-CE1 3.42Å; A324-H535 WeakPolarHBondContact CB-CE1 3.37Å; M328-H535 HydrophobicContact CE-CB 3.3Å; Y531-H535 WeakPolarHBondContact O-CB 3.25Å; Y531-H535 PolarHBondContact O-N 3.23Å; L532-H535 WeakPolarHBondContact O-CB 3.37Å; L532-H535 PolarHBondContact O-N 2.84Å; L532-H535 VanDerWaalsContact O-N 3.16Å; L533-H535 PolarHBondContact O-N 3.41Å; H535-N538 PolarHBondContact O-N 2.84Å; H535-H539 WeakPolarHBondContact O-CB 3.24Å; H535-H539 PolarHBondContact O-N 3.11Å; H535-H539 VanDerWaalsContact O-N 3.09Å
536L84.5Confident77.4Confident29 Ų2957.9 Ų57.915%0.15231%0.311CS..Hα-helixtrans-65.3-44.7179.9-65.7172.3000111.1L314 L532 L533 N538 H539 Q540 V550 I552L314-L536 HydrophobicContact CD2-CD1 4.03Å; L314-L536 HydrophobicContact CD2-CD2 4.28Å; L532-L536 HydrophobicContact CD1-CD1 4.07Å; L532-L536 HydrophobicContact CD1-CG 4.15Å; L532-L536 HydrophobicContact CG-CD1 3.95Å; L532-L536 HydrophobicContact CG-CG 4.42Å; L532-L536 VanDerWaalsContact O-CG 3.31Å; L532-L536 WeakPolarHBondContact O-CG 3.3Å; L532-L536 PolarHBondContact O-N 3.04Å; L533-L536 PolarHBondContact O-N 2.96Å; L533-L536 VanDerWaalsContact O-N 3.15Å; L536-N538 PolarHBondContact O-N 3.25Å; L536-H539 PolarHBondContact O-N 3.15Å; L536-H539 VanDerWaalsContact O-N 3.08Å; L536-Q540 PolarHBondContact O-N 3.17Å; L536-V550 HydrophobicContact CB-CB 4.2Å; L536-V550 HydrophobicContact CB-CG1 3.76Å; L536-V550 HydrophobicContact CB-CG2 4.08Å; L536-I552 HydrophobicContact CD1-CG2 3.37Å
537T80.2Confident75.4Confident36 Ų3663.2 Ų63.222%0.22133%0.333CS..Hα-helixtrans-60.7-45178.1-480000111.2N280 L533 H539 Q540 A541N280-T537 PolarHBondContact OD1-OG1 3.14Å; N280-T537 VanDerWaalsContact OD1-OG1 3.13Å; L533-T537 PolarHBondContact O-N 3.32Å; L533-T537 PolarHBondContact O-OG1 3.35Å; T537-H539 PolarHBondContact O-N 3.41Å; T537-Q540 PolarHBondContact O-N 3.18Å; T537-A541 PolarHBondContact O-N 2.97Å
538N76.4Confident73.8Confident97 Ų9763.7 Ų63.752%0.51934%0.341SS..Hα-helixtrans-64.1-28.9177.4-78.4-45.5000112.8I534 H535 L536 K542I534-N538 VanDerWaalsContact CG2-ND2 3.35Å; I534-N538 WeakPolarHBondContact CG2-ND2 3.44Å; I534-N538 VanDerWaalsContact O-CB 3.32Å; I534-N538 WeakPolarHBondContact O-CB 3.2Å; I534-N538 VanDerWaalsContact O-CG 3.25Å; I534-N538 PolarHBondContact O-N 3.47Å; I534-N538 VanDerWaalsContact O-N 3.08Å; I534-N538 PolarHBondContact O-ND2 3.36Å; H535-N538 PolarHBondContact O-N 2.84Å; L536-N538 PolarHBondContact O-N 3.25Å; N538-K542 WeakPolarHBondContact O-CG 3.49Å; N538-K542 PolarHBondContact O-N 2.95Å
539H73Confident72.5Confident26 Ų2664.4 Ų64.412%0.1235%0.348CS..Hα-helixtrans-79.6-37.2178.9-154-69.6000112.4T317 D318 S321 H535 L536 T537 K542T317-H539 PolarHBondContact OG1-CE1 3.24Å; D318-H539 IonicContact OD1-NE2 3.3Å; S321-H539 WeakPolarHBondContact CB-NE2 3.44Å; H535-H539 WeakPolarHBondContact O-CB 3.24Å; H535-H539 PolarHBondContact O-N 3.11Å; H535-H539 VanDerWaalsContact O-N 3.09Å; L536-H539 PolarHBondContact O-N 3.15Å; L536-H539 VanDerWaalsContact O-N 3.08Å; T537-H539 PolarHBondContact O-N 3.41Å; H539-K542 PolarHBondContact O-N 2.7Å
540Q66.7Low72Confident65 Ų6564.6 Ų64.630%0.30435%0.35SS..Hα-helixtrans-62.4-45.2170.8-80.4-170.9-28.800111.5L536 T537 K542 K543 C548 V550L536-Q540 PolarHBondContact O-N 3.17Å; T537-Q540 PolarHBondContact O-N 3.18Å; Q540-K542 PolarHBondContact O-N 2.64Å; Q540-K542 VanDerWaalsContact O-N 3.13Å; Q540-K543 WeakPolarHBondContact O-CB 3.42Å; Q540-K543 PolarHBondContact O-N 3.21Å; Q540-C548 PolarHBondContact OE1-O 3.49Å; Q540-V550 HydrophobicContact CG-CG1 4.2Å
541A59Low71.9Confident45 Ų4570.8 Ų70.837%0.37237%0.372SS..Hα-helixtrans-59.3-29.3177.700000113.5T537 K543T537-A541 PolarHBondContact O-N 2.97Å; A541-K543 VanDerWaalsContact C-N 3.31Å
542K60.9Low71.9Confident167 Ų16768.5 Ų68.573%0.72636%0.363SS*.Hα-helixtrans-73.4-19.6175.5-77.5179.6-179.5-176.70113.8N538 H539 Q540 G544N538-K542 WeakPolarHBondContact O-CG 3.49Å; N538-K542 PolarHBondContact O-N 2.95Å; H539-K542 PolarHBondContact O-N 2.7Å; Q540-K542 PolarHBondContact O-N 2.64Å; Q540-K542 VanDerWaalsContact O-N 3.13Å; K542-G544 PolarHBondContact O-N 3.46Å
543K58.6Low72Confident113 Ų11369.7 Ų69.749%0.49137%0.371SS..THydrogen-bonded Turntrans-82.22.6178.5-75.3-171.9168.4-169.70113.8Q540 A541 E545Q540-K543 WeakPolarHBondContact O-CB 3.42Å; Q540-K543 PolarHBondContact O-N 3.21Å; A541-K543 VanDerWaalsContact C-N 3.31Å; K543-E545 PolarHBondContact O-N 2.89Å
544G52.6Low72.4Confident74 Ų7469.4 Ų69.476%0.76337%0.37SS*.THydrogen-bonded Turntrans73.910.6-179.500000113.6K542K542-G544 PolarHBondContact O-N 3.46Å
545E51.7Low72.9Confident111 Ų11165 Ų6552%0.51935%0.347SS..  trans-74.3139.6163.2-67.9171.2177.200107.5K543K543-E545 PolarHBondContact O-N 2.89Å
546D49.8Very low73.5Confident153 Ų15365.6 Ų65.682%0.81835%0.349SS*.  trans-48.7151.2172.9-88.6-36.5000109.9C548D546-C548 PolarHBondContact O-N 3.03Å
547K53.9Low74.1Confident151 Ų15164.3 Ų64.366%0.65734%0.343SS*.SBendtrans-61.573.4179.7-71.2-175.1178-177.40111.2
548C59.4Low74.8Confident68 Ų6865.9 Ų65.946%0.45935%0.347SS..PPolyproline II helixtrans-93.5138.4177.4-162.70000107.5Q540 D546Q540-C548 PolarHBondContact OE1-O 3.49Å; D546-C548 PolarHBondContact O-N 3.03Å
549G69.2Low75.8Confident16 Ų1661.2 Ų61.217%0.16532%0.322CS..PPolyproline II helixtrans-59.3154.1174.600000111.8A278 N280A278-G549 WeakPolarHBondContact O-CA 3.5Å; A278-G549 PolarHBondContact O-N 3.17Å; N280-G549 WeakPolarHBondContact OD1-CA 3.46Å
550V84.4Confident76.9Confident5 Ų564.6 Ų64.63%0.0333%0.334CS..PPolyproline II helixtrans-89.7144.4175.6-70.50000110.7N280 V281 L533 L536 Q540N280-V550 CarbonylContact C-O 3.09Å; N280-V550 WeakPolarHBondContact CA-O 3.49Å; N280-V550 HydrophobicContact CB-CG2 4.4Å; N280-V550 WeakPolarHBondContact OD1-CG2 3.4Å; N280-V550 PolarHBondContact OD1-N 2.99Å; V281-V550 PolarHBondContact N-O 3.34Å; L533-V550 HydrophobicContact CD2-CG2 3.75Å; L536-V550 HydrophobicContact CB-CB 4.2Å; L536-V550 HydrophobicContact CB-CG1 3.76Å; L536-V550 HydrophobicContact CB-CG2 4.08Å; Q540-V550 HydrophobicContact CG-CG1 4.2Å
551K88.2Confident78.3Confident152 Ų15262 Ų6266%0.66132%0.323SS*.EExtended strand (participates in β ladder)trans-103.2123.4168-175.2179.8179.7-179.30109.4V281 V283V281-K551 HydrophobicContact CB-CG 4.36Å; V281-K551 VanDerWaalsContact O-CA 3.32Å; V281-K551 WeakPolarHBondContact O-CA 3.41Å; V283-K551 HydrophobicContact CG2-CD 4.48Å; V283-K551 HydrophobicContact CG2-CG 4.4Å
552I91.5Very high79.8Confident5 Ų561.8 Ų61.83%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-119.9151.8169.365172.2000110.4V281 I282 V283 I529 L532 L533 L536 L554V281-I552 PolarHBondContact O-N 3.48Å; I282-I552 HydrophobicContact CB-CG1 4.48Å; I282-I552 HydrophobicContact CG1-CD1 4.23Å; I282-I552 HydrophobicContact CG1-CG1 4.05Å; I282-I552 HydrophobicContact CG2-CG1 4.4Å; V283-I552 PolarHBondContact N-O 3.34Å; I529-I552 HydrophobicContact CG2-CD1 4.08Å; L532-I552 HydrophobicContact CD2-CD1 4.45Å; L533-I552 HydrophobicContact CD2-CD1 3.59Å; L533-I552 HydrophobicContact CD2-CG1 3.83Å; L533-I552 HydrophobicContact CD2-CG2 4.25Å; L533-I552 HydrophobicContact CG-CD1 4.09Å; L536-I552 HydrophobicContact CD1-CG2 3.37Å; I552-L554 HydrophobicContact CD1-CD2 4.19Å; I552-L554 HydrophobicContact CD1-CG 4.41Å
553T95.1Very high80.8Confident26 Ų2658.9 Ų58.916%0.1631%0.313CS..EExtended strand (participates in β ladder)trans-111.2127.8173.7-65.50000109.5V283 E285 K312V283-T553 CarbonylContact O-C 3.53Å; V283-T553 VanDerWaalsContact O-CA 3.27Å; V283-T553 WeakPolarHBondContact O-CA 3.4Å; E285-T553 HydrophobicContact CB-CG2 4.47Å; E285-T553 HydrophobicContact CG-CG2 3.7Å; E285-T553 WeakPolarHBondContact OE1-CG2 3.31Å; K312-T553 HydrophobicContact CB-CG2 4.3Å; K312-T553 HydrophobicContact CD-CG2 4.21Å; K312-T553 PolarHBondContact N-O 2.93Å
554L96.6Very high82.2Confident0 Ų058.7 Ų58.70%032%0.318CS..EExtended strand (participates in β ladder)trans-112.4108.9175.2-60.8-175.6000109.5I282 V283 V284 E285 I310 V311 I529 I552 P572 L577I282-L554 HydrophobicContact CG2-CB 4.4Å; I282-L554 HydrophobicContact CG2-CD1 3.58Å; I282-L554 HydrophobicContact CG2-CG 3.78Å; V283-L554 PolarHBondContact O-N 3.05Å; V284-L554 CarbonylContact C-O 3.57Å; V284-L554 VanDerWaalsContact CA-O 3.28Å; V284-L554 WeakPolarHBondContact CA-O 3.35Å; E285-L554 PolarHBondContact N-O 2.58Å; I310-L554 CarbonylContact O-C 3.43Å; I310-L554 WeakPolarHBondContact O-CA 3.47Å; V311-L554 HydrophobicContact CB-CD2 4.24Å; V311-L554 HydrophobicContact CG1-CD2 4.24Å; V311-L554 HydrophobicContact CG2-CD2 3.71Å; I529-L554 HydrophobicContact CD1-CD1 4.1Å; I529-L554 HydrophobicContact CD1-CD2 3.75Å; I529-L554 HydrophobicContact CG1-CD1 4.23Å; I529-L554 HydrophobicContact CG2-CD1 4.15Å; I552-L554 HydrophobicContact CD1-CD2 4.19Å; I552-L554 HydrophobicContact CD1-CG 4.41Å; L554-P572 HydrophobicContact CB-CG 4.39Å; L554-L577 HydrophobicContact CD1-CD1 3.93Å; L554-L577 HydrophobicContact CD1-CD2 4.26Å
555E96.3Very high84Confident2 Ų259.4 Ų59.41%0.00931%0.311CS..EExtended strand (participates in β ladder)trans-82129.1169.7178.5-168.4144.400109.7E285 N288 H291 I310 K312 A557E285-E555 HydrophobicContact CB-CB 4.24Å; E285-E555 HydrophobicContact CB-CG 4.48Å; N288-E555 WeakPolarHBondContact CB-OE1 3.25Å; N288-E555 PolarHBondContact N-OE1 3.3Å; N288-E555 VanDerWaalsContact N-OE1 3.12Å; H291-E555 IonicContact CE1-OE1 3.8Å; H291-E555 IonicContact CE1-OE2 2.86Å; H291-E555 IonicContact CG-OE1 2.7Å; H291-E555 IonicContact ND1-OE1 3.76Å; H291-E555 PolarHBondContact ND1-OE1 3.08Å; H291-E555 IonicContact ND1-OE2 3.72Å; H291-E555 PolarHBondContact ND1-OE2 2.76Å; I310-E555 HydrophobicContact CB-CB 4.11Å; I310-E555 PolarHBondContact N-O 3.13Å; I310-E555 VanDerWaalsContact N-O 3.07Å; I310-E555 PolarHBondContact O-N 2.92Å; K312-E555 WeakPolarHBondContact CE-OE2 3.16Å; K312-E555 IonicContact NZ-OE2 2.72Å; K312-E555 PolarHBondContact NZ-OE2 2.73Å; E555-A557 PolarHBondContact O-N 3.41Å
556Q96.1Very high85.9Confident36 Ų3656.6 Ų56.617%0.16830%0.303CS..EExtended strand (participates in β ladder)trans-63.5128175.7179.2-178.185.200110.8E285 S287 Y571 P572E285-Q556 PolarHBondContact O-N 3.43Å; S287-Q556 WeakPolarHBondContact CA-O 3.28Å; S287-Q556 WeakPolarHBondContact CB-O 3.37Å; S287-Q556 PolarHBondContact OG-O 3.23Å; Q556-Y571 VanDerWaalsContact CA-O 3.3Å; Q556-Y571 WeakPolarHBondContact CA-O 3.24Å; Q556-P572 PolarHBondContact NE2-O 3.32Å
557A96.5Very high88Confident3 Ų353.4 Ų53.43%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-101.4134.3167.300000110I293 C308 E555 A570 Y571I293-A557 HydrophobicContact CD1-CB 4.09Å; C308-A557 HydrophobicContact CB-CB 3.75Å; C308-A557 WeakPolarHBondContact O-CB 3.46Å; E555-A557 PolarHBondContact O-N 3.41Å; A557-A570 WeakPolarHBondContact O-CA 3.31Å; A557-Y571 PolarHBondContact N-O 3.44Å; A557-Y571 PolarHBondContact O-N 2.66Å; A557-Y571 VanDerWaalsContact O-N 3.12Å
558K95.7Very high89.9Confident68 Ų6849.5 Ų49.530%0.29627%0.269SS..EExtended strand (participates in β ladder)trans-107129.4172.9-66.8-178.1-178176.60109.4W560 L567 A570K558-W560 HydrophobicContact CB-CZ2 4.22Å; K558-W560 HydrophobicContact CD-CZ2 3.67Å; K558-L567 HydrophobicContact CB-CD1 3.83Å; K558-L567 HydrophobicContact CD-CD1 4.25Å; K558-L567 HydrophobicContact CG-CD1 4.11Å; K558-A570 HydrophobicContact CG-CB 4.06Å
559V96.4Very high91.6Very high0 Ų047 Ų470%025%0.252CS..EExtended strand (participates in β ladder)trans-104.5121.5174.1-175.30000108I293 W295 I306 K568 S569I293-V559 HydrophobicContact CB-CG2 4.25Å; I293-V559 HydrophobicContact CG2-CG1 4.2Å; I293-V559 HydrophobicContact CG2-CG2 4.05Å; I293-V559 WeakPolarHBondContact O-CA 3.43Å; W295-V559 HydrophobicContact CB-CG1 3.74Å; I306-V559 HydrophobicContact CG2-CG1 4.07Å; I306-V559 HydrophobicContact CG2-CG2 4.48Å; V559-K568 HydrophobicContact CG1-CB 4.3Å; V559-K568 WeakPolarHBondContact O-CA 3.36Å; V559-K568 WeakPolarHBondContact O-CB 3.46Å; V559-K568 PolarHBondContact O-N 2.96Å; V559-S569 WeakPolarHBondContact CB-OG 3.31Å; V559-S569 WeakPolarHBondContact CG2-OG 3.48Å; V559-S569 PolarHBondContact N-O 3.11Å; V559-S569 PolarHBondContact O-N 3.37Å
560W95.9Very high92.8Very high97 Ų9747 Ų4737%0.36725%0.25SS..EExtended strand (participates in β ladder)trans-108.3142.5-179-5687.7000109.6I293 R294 W295 K558 S565 S566 L567I293-W560 PolarHBondContact O-N 3.01Å; R294-W560 CarbonylContact C-O 3.48Å; R294-W560 WeakPolarHBondContact CA-O 3.16Å; W295-W560 PolarHBondContact N-O 3.42Å; K558-W560 HydrophobicContact CB-CZ2 4.22Å; K558-W560 HydrophobicContact CD-CZ2 3.67Å; W560-S565 VanDerWaalsContact CE3-O 3.28Å; W560-S566 CarbonylContact C-O 3.58Å; W560-S566 WeakPolarHBondContact CA-O 3.18Å; W560-L567 HydrophobicContact CD2-CD1 4.08Å; W560-L567 HydrophobicContact CE3-CB 4.07Å; W560-L567 HydrophobicContact CE3-CD1 4.1Å; W560-L567 HydrophobicContact CH2-CD1 4.13Å; W560-L567 HydrophobicContact CZ2-CD1 4.08Å; W560-L567 HydrophobicContact CZ3-CB 3.89Å; W560-L567 HydrophobicContact CZ3-CD1 4.13Å
561T95.8Very high93.4Very high10 Ų1046.8 Ų46.86%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-63.8139.5168.853.10000110W295 D563 D564 S565 S566 K568W295-T561 HydrophobicContact CE3-CG2 4.04Å; W295-T561 CarbonylContact O-C 3.6Å; W295-T561 WeakPolarHBondContact O-CA 3.37Å; T561-D563 VanDerWaalsContact C-N 3.31Å; T561-D564 VanDerWaalsContact CB-OD1 3.31Å; T561-D564 WeakPolarHBondContact CB-OD1 3.15Å; T561-D564 PolarHBondContact OG1-OD1 3.42Å; T561-S565 VanDerWaalsContact O-CA 3.32Å; T561-S565 WeakPolarHBondContact O-CA 3.37Å; T561-S565 PolarHBondContact O-N 3.39Å; T561-S565 PolarHBondContact OG1-N 3.44Å; T561-S566 WeakPolarHBondContact CG2-OG 3.18Å; T561-S566 PolarHBondContact N-O 3.13Å; T561-S566 PolarHBondContact OG1-N 3.09Å; T561-S566 PolarHBondContact OG1-O 3.34Å; T561-S566 VanDerWaalsContact OG1-O 3.11Å; T561-S566 PolarHBondContact OG1-OG 3.49Å; T561-K568 HydrophobicContact CG2-CB 4.12Å; T561-K568 HydrophobicContact CG2-CD 3.99Å; T561-K568 HydrophobicContact CG2-CG 4.47Å
562A90.8Very high93.8Very high40 Ų4039.5 Ų39.533%0.33122%0.217SC..THydrogen-bonded Turntrans-71.5-30.7177.600000111.7R294 W295 L358R294-A562 HydrophobicContact CB-CB 4.43Å; W295-A562 WeakPolarHBondContact O-CB 3.49Å; W295-A562 PolarHBondContact O-N 2.85Å; L358-A562 HydrophobicContact CD1-CB 4.47Å
563D81.7Confident93.8Very high106 Ų10641 Ų4157%0.56723%0.226SC*.THydrogen-bonded Turntrans-81.1-43.7-168.6-53.2-27.7000112.5S297 T561S297-D563 WeakPolarHBondContact CB-OD2 3.32Å; S297-D563 PolarHBondContact OG-OD2 3.1Å; T561-D563 VanDerWaalsContact C-N 3.31Å
564D89.3Confident93.5Very high110 Ų11043.2 Ų43.259%0.58824%0.24SC*.THydrogen-bonded Turntrans-125.33.7-175.469.9-2.2000114.3T561 S566T561-D564 VanDerWaalsContact CB-OD1 3.31Å; T561-D564 WeakPolarHBondContact CB-OD1 3.15Å; T561-D564 PolarHBondContact OG1-OD1 3.42Å; D564-S566 PolarHBondContact O-N 2.97Å; D564-S566 VanDerWaalsContact O-N 3.12Å; D564-S566 VanDerWaalsContact OD1-CB 3.29Å; D564-S566 WeakPolarHBondContact OD1-CB 3.2Å; D564-S566 PolarHBondContact OD1-N 3.34Å; D564-S566 VanDerWaalsContact OD1-N 3.09Å; D564-S566 PolarHBondContact OD1-OG 3.09Å; D564-S566 PolarHBondContact OD2-OG 3.3Å
565S89.1Confident92.9Very high89 Ų8948.6 Ų48.662%0.62227%0.269SS*.  trans56.521.7-177.8-55.30000114.7W560 T561W560-S565 VanDerWaalsContact CE3-O 3.28Å; T561-S565 VanDerWaalsContact O-CA 3.32Å; T561-S565 WeakPolarHBondContact O-CA 3.37Å; T561-S565 PolarHBondContact O-N 3.39Å; T561-S565 PolarHBondContact OG1-N 3.44Å
566S92.4Very high92.7Very high51 Ų5148.8 Ų48.836%0.35727%0.27SS..  trans-73150.1170.766.40000111.6W560 T561 D564 K568W560-S566 CarbonylContact C-O 3.58Å; W560-S566 WeakPolarHBondContact CA-O 3.18Å; T561-S566 WeakPolarHBondContact CG2-OG 3.18Å; T561-S566 PolarHBondContact N-O 3.13Å; T561-S566 PolarHBondContact OG1-N 3.09Å; T561-S566 PolarHBondContact OG1-O 3.34Å; T561-S566 VanDerWaalsContact OG1-O 3.11Å; T561-S566 PolarHBondContact OG1-OG 3.49Å; D564-S566 PolarHBondContact O-N 2.97Å; D564-S566 VanDerWaalsContact O-N 3.12Å; D564-S566 VanDerWaalsContact OD1-CB 3.29Å; D564-S566 WeakPolarHBondContact OD1-CB 3.2Å; D564-S566 PolarHBondContact OD1-N 3.34Å; D564-S566 VanDerWaalsContact OD1-N 3.09Å; D564-S566 PolarHBondContact OD1-OG 3.09Å; D564-S566 PolarHBondContact OD2-OG 3.3Å; S566-K568 PolarHBondContact O-N 2.91Å
567L93.7Very high92.4Very high87 Ų8747 Ų4746%0.45526%0.262SS..EExtended strand (participates in β ladder)trans-74.5112.1178.5-175.569.5000109.5K558 W560 S569 A570K558-L567 HydrophobicContact CB-CD1 3.83Å; K558-L567 HydrophobicContact CD-CD1 4.25Å; K558-L567 HydrophobicContact CG-CD1 4.11Å; W560-L567 HydrophobicContact CD2-CD1 4.08Å; W560-L567 HydrophobicContact CE3-CB 4.07Å; W560-L567 HydrophobicContact CE3-CD1 4.1Å; W560-L567 HydrophobicContact CH2-CD1 4.13Å; W560-L567 HydrophobicContact CZ2-CD1 4.08Å; W560-L567 HydrophobicContact CZ3-CB 3.89Å; W560-L567 HydrophobicContact CZ3-CD1 4.13Å; L567-S569 WeakPolarHBondContact CD1-O 3.45Å; L567-A570 HydrophobicContact CD2-CB 4.31Å
568K93.9Very high91.5Very high69 Ų6952.8 Ų52.830%0.329%0.288SS..EExtended strand (participates in β ladder)trans-81.3-42.7178.8-167.965.8170.3-163.30112W295 F518 V559 T561 S566W295-K568 HydrophobicContact CB-CG 4.33Å; W295-K568 HydrophobicContact CD2-CD 4.29Å; W295-K568 HydrophobicContact CD2-CG 4.24Å; W295-K568 HydrophobicContact CE3-CD 4.42Å; W295-K568 HydrophobicContact CG-CG 4.02Å; F518-K568 HydrophobicContact CZ-CD 4.42Å; F518-K568 HydrophobicContact CZ-CG 4.08Å; V559-K568 HydrophobicContact CG1-CB 4.3Å; V559-K568 WeakPolarHBondContact O-CA 3.36Å; V559-K568 WeakPolarHBondContact O-CB 3.46Å; V559-K568 PolarHBondContact O-N 2.96Å; T561-K568 HydrophobicContact CG2-CB 4.12Å; T561-K568 HydrophobicContact CG2-CD 3.99Å; T561-K568 HydrophobicContact CG2-CG 4.47Å; S566-K568 PolarHBondContact O-N 2.91Å
569S95.3Very high90.6Very high15 Ų1555.4 Ų55.411%0.10531%0.305CS..EExtended strand (participates in β ladder)trans-158.5156.5175.266.50000111.3I306 V559 L567I306-S569 PolarHBondContact O-OG 3.45Å; V559-S569 WeakPolarHBondContact CB-OG 3.31Å; V559-S569 WeakPolarHBondContact CG2-OG 3.48Å; V559-S569 PolarHBondContact N-O 3.11Å; V559-S569 PolarHBondContact O-N 3.37Å; L567-S569 WeakPolarHBondContact CD1-O 3.45Å
570A95.3Very high90Very high15 Ų1556.6 Ų56.612%0.12431%0.311CS..EExtended strand (participates in β ladder)trans-140.6139.4168.100000108.4A557 K558 L567 T573A557-A570 WeakPolarHBondContact O-CA 3.31Å; K558-A570 HydrophobicContact CG-CB 4.06Å; L567-A570 HydrophobicContact CD2-CB 4.31Å; A570-T573 HydrophobicContact CB-CG2 4.29Å; A570-T573 WeakPolarHBondContact O-CG2 3.49Å
571Y96.7Very high89.2Confident1 Ų159.2 Ų59.20%0.00433%0.332CS..EExtended strand (participates in β ladder)trans-152.2140.4174.9-176-84.1000111.4I307 C308 C309 K522 M525 E526 Q556 A557 D576 L577I307-Y571 HydrophobicContact CD1-CD2 4.19Å; I307-Y571 HydrophobicContact CD1-CG 4.24Å; C308-Y571 VanDerWaalsContact O-O 3.13Å; C309-Y571 HydrophobicContact CB-CD1 3.97Å; C309-Y571 HydrophobicContact CB-CE1 4.43Å; K522-Y571 HydrophobicContact CG-CD2 4.27Å; M525-Y571 HydrophobicContact CB-CE1 4.13Å; M525-Y571 HydrophobicContact CB-CE2 4.42Å; M525-Y571 HydrophobicContact CG-CD1 3.7Å; M525-Y571 HydrophobicContact CG-CE1 3.13Å; M525-Y571 HydrophobicContact CG-CE2 4.25Å; M525-Y571 HydrophobicContact CG-CG 4.48Å; M525-Y571 VanDerWaalsContact CG-CZ 3.44Å; M525-Y571 HydrophobicContact SD-CE1 4.39Å; E526-Y571 HydrophobicContact CG-CE2 4.42Å; E526-Y571 WeakPolarHBondContact CG-OH 3.35Å; Q556-Y571 VanDerWaalsContact CA-O 3.3Å; Q556-Y571 WeakPolarHBondContact CA-O 3.24Å; A557-Y571 PolarHBondContact N-O 3.44Å; A557-Y571 PolarHBondContact O-N 2.66Å; A557-Y571 VanDerWaalsContact O-N 3.12Å; Y571-D576 HydrophobicContact CD2-CB 4.16Å; Y571-D576 HydrophobicContact CE2-CB 3.69Å; Y571-L577 WeakPolarHBondContact OH-CD2 3.33Å
572P94.9Very high88.6Confident0 Ų059.5 Ų59.50%034%0.336CS..SBendcis-74.1141-9.830.8-34.3000111.3V284 L554 Q556 D576 L577V284-P572 HydrophobicContact CG1-CG 3.83Å; V284-P572 HydrophobicContact CG2-CG 4.14Å; L554-P572 HydrophobicContact CB-CG 4.39Å; Q556-P572 PolarHBondContact NE2-O 3.32Å; P572-D576 HydrophobicContact CB-CB 4.2Å; P572-L577 HydrophobicContact CB-CD1 3.74Å; P572-L577 HydrophobicContact CB-CG 4.05Å; P572-L577 HydrophobicContact CG-CD1 4.02Å
573T91.8Very high88.4Confident35 Ų3562.7 Ų62.722%0.21535%0.347CS..  trans-88.4179.8167.571.70000110.4A570 N575 D576 R586A570-T573 HydrophobicContact CB-CG2 4.29Å; A570-T573 WeakPolarHBondContact O-CG2 3.49Å; T573-N575 PolarHBondContact O-N 3.37Å; T573-N575 PolarHBondContact OG1-N 2.75Å; T573-D576 WeakPolarHBondContact CA-OD2 3.08Å; T573-D576 VanDerWaalsContact CB-OD2 3.25Å; T573-D576 WeakPolarHBondContact CB-OD2 3.34Å; T573-D576 WeakPolarHBondContact CG2-OD2 3.18Å; T573-D576 PolarHBondContact N-OD2 3.36Å; T573-D576 PolarHBondContact O-N 3.25Å; T573-D576 VanDerWaalsContact OG1-CG 3.31Å; T573-D576 PolarHBondContact OG1-OD2 3.26Å; T573-R586 PolarHBondContact O-NH1 3.47Å; T573-R586 PolarHBondContact O-NH2 3.23Å
574V88.4Confident88.8Confident74 Ų7460 Ų6045%0.44833%0.334SS..THydrogen-bonded Turntrans-61.7-28.4176.9-173.90000111.9H578V574-H578 PolarHBondContact O-CE1 2.81Å; V574-H578 PolarHBondContact O-NE2 3.17Å
575N85.7Confident88.8Confident112 Ų11258.4 Ų58.460%0.59933%0.329SS*.THydrogen-bonded Turntrans-92.40.6-175-64-7.9000114.1T573 H578T573-N575 PolarHBondContact O-N 3.37Å; T573-N575 PolarHBondContact OG1-N 2.75Å; N575-H578 VanDerWaalsContact C-NE2 3.29Å; N575-H578 WeakPolarHBondContact CA-NE2 3.26Å; N575-H578 PolarHBondContact O-CD2 3.26Å
576D91.4Very high88.8Confident6 Ų657.2 Ų57.23%0.03231%0.311CS..SBendtrans-101.1162.1-179.5-53.7-58000109.9K522 Y571 P572 T573 H578 R586K522-D576 WeakPolarHBondContact CE-OD1 3.23Å; K522-D576 IonicContact NZ-OD1 3.45Å; K522-D576 PolarHBondContact NZ-OD1 2.88Å; K522-D576 IonicContact NZ-OD2 2.74Å; Y571-D576 HydrophobicContact CD2-CB 4.16Å; Y571-D576 HydrophobicContact CE2-CB 3.69Å; P572-D576 HydrophobicContact CB-CB 4.2Å; T573-D576 WeakPolarHBondContact CA-OD2 3.08Å; T573-D576 VanDerWaalsContact CB-OD2 3.25Å; T573-D576 WeakPolarHBondContact CB-OD2 3.34Å; T573-D576 WeakPolarHBondContact CG2-OD2 3.18Å; T573-D576 PolarHBondContact N-OD2 3.36Å; T573-D576 PolarHBondContact O-N 3.25Å; T573-D576 VanDerWaalsContact OG1-CG 3.31Å; T573-D576 PolarHBondContact OG1-OD2 3.26Å; D576-H578 VanDerWaalsContact C-N 3.33Å; D576-H578 PolarHBondContact O-N 2.98Å; D576-R586 PolarHBondContact O-NH2 2.75Å
577L88.9Confident88.1Confident0 Ų058.2 Ų58.20%032%0.316CS..SBendtrans74.26.7175.4-45.4170.9000116.3I282 V284 E526 I529 L554 Y571 P572 D579 L580 V584I282-L577 HydrophobicContact CG2-CD1 4.19Å; V284-L577 HydrophobicContact CG2-CD1 4Å; E526-L577 PolarHBondContact OE1-N 2.91Å; I529-L577 HydrophobicContact CG2-CD2 4.46Å; L554-L577 HydrophobicContact CD1-CD1 3.93Å; L554-L577 HydrophobicContact CD1-CD2 4.26Å; Y571-L577 WeakPolarHBondContact OH-CD2 3.33Å; P572-L577 HydrophobicContact CB-CD1 3.74Å; P572-L577 HydrophobicContact CB-CG 4.05Å; P572-L577 HydrophobicContact CG-CD1 4.02Å; L577-D579 VanDerWaalsContact C-N 3.32Å; L577-D579 PolarHBondContact O-N 3.26Å; L577-L580 HydrophobicContact CB-CD1 4.08Å; L577-L580 HydrophobicContact CD2-CD1 3.65Å; L577-L580 HydrophobicContact CG-CD1 4.47Å; L577-L580 PolarHBondContact O-N 3.37Å; L577-V584 HydrophobicContact CB-CG2 4.08Å; L577-V584 HydrophobicContact CD1-CG1 4.23Å
578H79.1Confident86.3Confident123 Ų12361.6 Ų61.657%0.56934%0.335SS*.THydrogen-bonded Turntrans-68.9-27.7-177.2-62.6-60.2000114.2V574 N575 D576 L580V574-H578 PolarHBondContact O-CE1 2.81Å; V574-H578 PolarHBondContact O-NE2 3.17Å; N575-H578 VanDerWaalsContact C-NE2 3.29Å; N575-H578 WeakPolarHBondContact CA-NE2 3.26Å; N575-H578 PolarHBondContact O-CD2 3.26Å; D576-H578 VanDerWaalsContact C-N 3.33Å; D576-H578 PolarHBondContact O-N 2.98Å; H578-L580 VanDerWaalsContact C-N 3.28Å; H578-L580 PolarHBondContact O-N 2.86Å
579D77Confident84.3Confident124 Ų12468.5 Ų68.566%0.66336%0.359SS*.THydrogen-bonded Turntrans-88.96.1-176.7-60.9-24.9000112.8L577L577-D579 VanDerWaalsContact C-N 3.32Å; L577-D579 PolarHBondContact O-N 3.26Å
580L82.4Confident81.2Confident25 Ų2577 Ų7713%0.13140%0.397CS..SBendtrans-88.8139.9179.8-60.3-175.1000110.9I282 I529 A530 L577 H578 A582I282-L580 HydrophobicContact CD1-CD1 3.7Å; I529-L580 HydrophobicContact CB-CD1 4.18Å; I529-L580 HydrophobicContact CG2-CD1 3.67Å; A530-L580 HydrophobicContact CB-CD2 3.55Å; L577-L580 HydrophobicContact CB-CD1 4.08Å; L577-L580 HydrophobicContact CD2-CD1 3.65Å; L577-L580 HydrophobicContact CG-CD1 4.47Å; L577-L580 PolarHBondContact O-N 3.37Å; H578-L580 VanDerWaalsContact C-N 3.28Å; H578-L580 PolarHBondContact O-N 2.86Å; L580-A582 PolarHBondContact O-N 2.91Å
581N80.7Confident78Confident151 Ų15189 Ų8981%0.80745%0.45SS*.SBendtrans-75.566.5171.4-170.719.2000111
582A83.4Confident77.1Confident16 Ų1693.4 Ų93.413%0.13247%0.473CS..SBendtrans-157.7145.717800000111.5N280 I282 L533 L580 V584N280-A582 HydrophobicContact CB-CB 3.78Å; N280-A582 CarbonylContact O-C 3.57Å; N280-A582 WeakPolarHBondContact O-CA 3.4Å; N280-A582 WeakPolarHBondContact O-CB 3.43Å; I282-A582 HydrophobicContact CD1-CB 3.95Å; I282-A582 HydrophobicContact CG1-CB 3.81Å; L533-A582 HydrophobicContact CD1-CB 3.88Å; L580-A582 PolarHBondContact O-N 2.91Å; A582-V584 PolarHBondContact O-N 3.43Å
583D86.2Confident76.1Confident108 Ų10898.3 Ų98.358%0.57850%0.497SS*.EExtended strand (participates in β ladder)trans-74.9117171.6-69-36.4000109.8N280 V281 I282N280-D583 PolarHBondContact O-N 3.31Å; V281-D583 CarbonylContact C-O 3.08Å; V281-D583 WeakPolarHBondContact CA-O 3.24Å; I282-D583 PolarHBondContact N-O 3.42Å
584V89.4Confident75.3Confident48 Ų48101.8 Ų101.829%0.29151%0.513SS..EExtended strand (participates in β ladder)trans-94107.5-178.9-173.20000110.1I282 V284 L577 A582 R586I282-V584 HydrophobicContact CB-CG2 4.41Å; I282-V584 HydrophobicContact CD1-CG2 4.37Å; I282-V584 CarbonylContact O-C 3.19Å; I282-V584 WeakPolarHBondContact O-CA 3.49Å; V284-V584 HydrophobicContact CG2-CG1 3.84Å; L577-V584 HydrophobicContact CB-CG2 4.08Å; L577-V584 HydrophobicContact CD1-CG1 4.23Å; A582-V584 PolarHBondContact O-N 3.43Å; V584-R586 HydrophobicContact CG1-CG 4.09Å
585V89.7Confident74.5Confident78 Ų78103.5 Ų103.547%0.47352%0.517SS..EExtended strand (participates in β ladder)trans-94.7122.2176.5-177.50000109.1V281 I282 V283 V284V281-V585 HydrophobicContact CG1-CG2 4Å; I282-V585 PolarHBondContact O-N 2.97Å; V283-V585 WeakPolarHBondContact CA-O 3.39Å; V283-V585 HydrophobicContact CG2-CB 4.43Å; V284-V585 PolarHBondContact N-O 3.41Å
586R89.2Confident73.8Confident64 Ų64102.9 Ų102.924%0.24251%0.512CS..  trans-118.8146.1178.2-57.1179.6176.8-926.1109.3V284 T573 D576 V584 N588V284-R586 HydrophobicContact CB-CG 4.09Å; V284-R586 HydrophobicContact CG2-CG 4.2Å; T573-R586 PolarHBondContact O-NH1 3.47Å; T573-R586 PolarHBondContact O-NH2 3.23Å; D576-R586 PolarHBondContact O-NH2 2.75Å; V584-R586 HydrophobicContact CG1-CG 4.09Å; R586-N588 PolarHBondContact O-N 2.92Å
587P76.9Confident72.6Confident72 Ų72109.4 Ų109.447%0.46854%0.544SS..  trans-59.8133.9171.123-32.4000108.8V284 T286 R589V284-P587 WeakPolarHBondContact O-CD 3.37Å; T286-P587 HydrophobicContact CG2-CG 3.97Å; P587-R589 PolarHBondContact O-N 3.23Å
588N57.1Low71.5Confident158 Ų158117.2 Ų117.285%0.84558%0.583SS**  trans-54.9124.1170.4-77.8-23.1000107.7R586 E590R586-N588 PolarHBondContact O-N 2.92Å; N588-E590 PolarHBondContact O-N 2.93Å
589R51.4Low70.9Confident213 Ų213116.8 Ų116.880%0.80458%0.584SS**  trans-61.8105.8163.5-79.4-176.5174-179.9-2.3105.9P587 Q591P587-R589 PolarHBondContact O-N 3.23Å; R589-Q591 PolarHBondContact O-N 3.26Å
590E30.4Very low70.4Confident194 Ų194116.2 Ų116.291%0.90758%0.577SS**  trans-55.3133.6150.8-71.3-176.6162.500106.5N588N588-E590 PolarHBondContact O-N 2.93Å
591Q27.6Very low69.3Low267 Ų267124.5 Ų124.5100%1.24862%0.618SS**  trans-41.60-157.9-71.6167.6-15.300117.1R589R589-Q591 PolarHBondContact O-N 3.26Å

Retrieved 591 of 591 residues in 768.7 ms (Link to these results)

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