A0A087XQ59_POEFO Loading...

RNA pseudouridine synthase domain containing 1

AlphaFold DB , UniProt , Accession A0A087XQ59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 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
1M56.6Low82.5Confident64 Ų6464.7 Ų64.732%0.31537%0.372SS..  0144.60-81.2-178.8-124.500107.2H209 G227 P229 V234M1-H209 WeakPolarHBondContact CE-CE1 3.2Å; M1-G227 VanDerWaalsContact CE-O 3.22Å; M1-G227 WeakPolarHBondContact CE-O 3.32Å; M1-P229 HydrophobicContact CB-CB 4.44Å; M1-P229 HydrophobicContact CE-CB 3.63Å; M1-P229 HydrophobicContact CE-CG 3.75Å; M1-P229 HydrophobicContact SD-CB 3.75Å; M1-P229 HydrophobicContact SD-CG 4.26Å; M1-V234 WeakPolarHBondContact O-CG1 3.26Å
2S61.7Low83.6Confident56 Ų5669.4 Ų69.439%0.39238%0.379SS..  trans-85.7153.5174.8-1740000109.4E4S2-E4 WeakPolarHBondContact OG-CB 3.41Å; S2-E4 VanDerWaalsContact OG-CG 3.29Å; S2-E4 WeakPolarHBondContact OG-CG 3.48Å; S2-E4 PolarHBondContact OG-N 2.84Å; S2-E4 VanDerWaalsContact OG-N 3.16Å; S2-E4 PolarHBondContact OG-OE2 2.79Å
3S72.3Confident84.7Confident76 Ų7668.2 Ų68.253%0.53138%0.375SS..SBendtrans-76.9-4.5166.358.50000112.3
4E82.4Confident85.7Confident133 Ų13366.4 Ų66.462%0.62136%0.364SS*.SBendtrans-70.1148.4178.3-69.5174.8149.600112S2 H26S2-E4 WeakPolarHBondContact OG-CB 3.41Å; S2-E4 VanDerWaalsContact OG-CG 3.29Å; S2-E4 WeakPolarHBondContact OG-CG 3.48Å; S2-E4 PolarHBondContact OG-N 2.84Å; S2-E4 VanDerWaalsContact OG-N 3.16Å; S2-E4 PolarHBondContact OG-OE2 2.79Å; E4-H26 PolarHBondContact O-CE1 3.37Å; E4-H26 PolarHBondContact O-NE2 3.1Å
5P84.8Confident86.6Confident102 Ų10266.8 Ų66.866%0.66236%0.359SS*.PPolyproline II helixtrans-64.3155.8174.927.7-34000111.2
6A89.3Confident87.2Confident7 Ų768.5 Ų68.56%0.05836%0.364CS..PPolyproline II helixtrans-64145.9177.300000112.1H26 V29 Q40A6-H26 HydrophobicContact CB-CB 3.94Å; A6-V29 HydrophobicContact CB-CG2 3.19Å; A6-Q40 PolarHBondContact O-NE2 2.83Å; A6-Q40 VanDerWaalsContact O-NE2 3.12Å; A6-Q40 PolarHBondContact O-OE1 2.99Å
7S92.4Very high87.8Confident38 Ų3866.5 Ų66.527%0.26636%0.357SS..  trans-125.2172.8169.686.40000110.7E9 S10 Q45S7-E9 WeakPolarHBondContact CB-OE2 3.28Å; S7-E9 PolarHBondContact O-N 2.94Å; S7-E9 PolarHBondContact OG-N 3.07Å; S7-E9 PolarHBondContact OG-OE2 3.2Å; S7-S10 PolarHBondContact N-OG 2.89Å; S7-S10 PolarHBondContact O-N 3.23Å; S7-S10 PolarHBondContact O-OG 2.67Å; S7-S10 PolarHBondContact OG-N 3.35Å; S7-Q45 PolarHBondContact O-NE2 2.79Å
8I93.1Very high88.2Confident44 Ų4471.3 Ų71.323%0.22638%0.382CS..SBendtrans-67.5-28.4176.1-168.367.4000111.3L44 Q45 H48 H49I8-L44 VanDerWaalsContact CD1-C 3.4Å; I8-L44 HydrophobicContact CD1-CB 3.59Å; I8-L44 WeakPolarHBondContact CD1-O 3.27Å; I8-Q45 HydrophobicContact CD1-CG 4.23Å; I8-H48 HydrophobicContact CD1-CB 4.26Å; I8-H48 HydrophobicContact CG1-CB 3.9Å; I8-H49 PolarHBondContact O-NE2 3.05Å
9E91.3Very high88.6Confident117 Ų11770.3 Ų70.355%0.54738%0.377SS..SBendtrans-77.9-23.6177.3-54.378.6-170.900112.3S7 L11 H49S7-E9 WeakPolarHBondContact CB-OE2 3.28Å; S7-E9 PolarHBondContact O-N 2.94Å; S7-E9 PolarHBondContact OG-N 3.07Å; S7-E9 PolarHBondContact OG-OE2 3.2Å; E9-L11 PolarHBondContact O-N 3.48Å; E9-H49 PolarHBondContact O-CE1 2.88Å; E9-H49 PolarHBondContact O-NE2 3.2Å
10S88.8Confident89.1Confident47 Ų4767.2 Ų67.233%0.32936%0.36SS..  trans-83.275.1-174.574.10000112.8S7 Q45S7-S10 PolarHBondContact N-OG 2.89Å; S7-S10 PolarHBondContact O-N 3.23Å; S7-S10 PolarHBondContact O-OG 2.67Å; S7-S10 PolarHBondContact OG-N 3.35Å; S10-Q45 PolarHBondContact O-NE2 3.24Å
11L94.4Very high89.6Confident28 Ų2864 Ų6415%0.14734%0.343CS..  trans-116.9118.2172.9-171.365.6000111.1E9 V23 Q45 L46 H49 F50E9-L11 PolarHBondContact O-N 3.48Å; L11-V23 HydrophobicContact CD1-CB 4.03Å; L11-V23 HydrophobicContact CD1-CG1 3.86Å; L11-V23 HydrophobicContact CG-CG1 4.33Å; L11-Q45 HydrophobicContact CB-CB 4.3Å; L11-Q45 HydrophobicContact CD1-CB 3.97Å; L11-Q45 HydrophobicContact CD2-CB 4.43Å; L11-Q45 HydrophobicContact CG-CB 4.46Å; L11-L46 HydrophobicContact CD2-CD2 3.99Å; L11-L46 HydrophobicContact CD2-CG 4.36Å; L11-H49 HydrophobicContact CD2-CB 3.96Å; L11-F50 HydrophobicContact CD2-CD2 4.15Å; L11-F50 HydrophobicContact CD2-CE2 3.87Å
12R96.3Very high91.6Very high121 Ų12161 Ų6146%0.45733%0.328SS..EExtended strand (participates in β ladder)trans-103.5119175.3-179.9178.9-173-160.58110.1V23 D24R12-V23 CarbonylContact O-C 3.49Å; R12-V23 VanDerWaalsContact O-CA 3.29Å; R12-V23 WeakPolarHBondContact O-CA 3.39Å; R12-D24 HydrophobicContact CB-CB 4.01Å; R12-D24 WeakPolarHBondContact CD-OD2 3.4Å; R12-D24 HydrophobicContact CG-CB 4.03Å; R12-D24 IonicContact CZ-OD2 3.64Å; R12-D24 IonicContact NE-OD2 3.94Å; R12-D24 IonicContact NH1-OD2 3.6Å; R12-D24 PolarHBondContact NH1-OD2 3.26Å; R12-D24 PolarHBondContact O-N 3.01Å
13V98.2Very high93.3Very high54 Ų5458.3 Ų58.333%0.32731%0.309SS..EExtended strand (participates in β ladder)trans-89.8126.8174.9-178.50000109.1Y15 Q16 I21 F50V13-Y15 WeakPolarHBondContact CG1-O 3.11Å; V13-Q16 HydrophobicContact CG1-CB 4.19Å; V13-I21 HydrophobicContact CG1-CD1 4.23Å; V13-I21 HydrophobicContact CG1-CG1 3.97Å; V13-I21 HydrophobicContact CG2-CD1 4.05Å; V13-F50 HydrophobicContact CG2-CE2 3.78Å; V13-F50 HydrophobicContact CG2-CZ 3.83Å
14L98.4Very high94.6Very high43 Ų4355.3 Ų55.323%0.22529%0.287CS..EExtended strand (participates in β ladder)trans-94.2-30.3175.7-63.1175.9000111.8V22 D24 A75 A226L14-V22 HydrophobicContact CB-CB 4.42Å; L14-V22 HydrophobicContact CB-CG1 4.39Å; L14-V22 HydrophobicContact CD1-CG1 4.3Å; L14-V22 PolarHBondContact N-O 3.22Å; L14-D24 HydrophobicContact CD1-CB 3.9Å; L14-D24 HydrophobicContact CD2-CB 3.92Å; L14-D24 HydrophobicContact CG-CB 3.84Å; L14-A75 HydrophobicContact CD1-CB 4.09Å; L14-A226 HydrophobicContact CD1-CB 3.81Å
15Y98.4Very high95.3Very high72 Ų7249 Ų4928%0.28226%0.257SS..EExtended strand (participates in β ladder)trans-158.1144-178.1175.9-91.5000110.2V13 S17 I21 V22 L222 V224V13-Y15 WeakPolarHBondContact CG1-O 3.11Å; Y15-S17 WeakPolarHBondContact CE1-OG 3.2Å; Y15-S17 WeakPolarHBondContact OH-CB 3.5Å; Y15-I21 CarbonylContact O-C 3.58Å; Y15-I21 WeakPolarHBondContact O-CA 3.48Å; Y15-V22 HydrophobicContact CD1-CG2 4.2Å; Y15-V22 PolarHBondContact N-O 2.95Å; Y15-V22 PolarHBondContact O-N 3.33Å; Y15-L222 HydrophobicContact CD1-CD1 4.2Å; Y15-L222 HydrophobicContact CD1-CG 4.44Å; Y15-L222 HydrophobicContact CE1-CD1 4.15Å; Y15-L222 HydrophobicContact CE1-CG 4.41Å; Y15-V224 HydrophobicContact CD2-CG1 4.35Å; Y15-V224 HydrophobicContact CG-CG1 4.03Å
16Q97.2Very high95.9Very high94 Ų9445.4 Ų45.444%0.43923%0.232SC..EExtended strand (participates in β ladder)trans-146.1140.2173-170.8173.22.800110.3V13 Y20 I21V13-Q16 HydrophobicContact CG1-CB 4.19Å; Q16-Y20 CarbonylContact C-O 3.5Å; Q16-Y20 WeakPolarHBondContact CA-O 3.42Å; Q16-I21 HydrophobicContact CB-CG1 4.45Å; Q16-I21 HydrophobicContact CG-CG1 4.39Å
17S96.4Very high96.3Very high34 Ų3446.1 Ų46.124%0.23823%0.233CC..  trans-149-179.7175.460.40000108.7Y15 D19 Y20 L80Y15-S17 WeakPolarHBondContact CE1-OG 3.2Å; Y15-S17 WeakPolarHBondContact OH-CB 3.5Å; S17-D19 PolarHBondContact O-N 3.2Å; S17-Y20 PolarHBondContact N-O 3.44Å; S17-Y20 PolarHBondContact OG-N 2.78Å; S17-Y20 VanDerWaalsContact OG-N 3.13Å; S17-Y20 PolarHBondContact OG-O 2.94Å; S17-Y20 VanDerWaalsContact OG-O 3.12Å; S17-L80 WeakPolarHBondContact O-CD1 3.48Å
18D95.4Very high96.4Very high153 Ų15347 Ų4782%0.81823%0.234SC*.SBendtrans-63.1-27176.3-62-19.1000113.2
19D97Very high96.5Very high52 Ų5244.9 Ų44.928%0.27822%0.224SC..SBendtrans-103.1-27.3-173.7-80.8-45.5000113.8S17 A79 L80 N81 A84 R87S17-D19 PolarHBondContact O-N 3.2Å; D19-A79 WeakPolarHBondContact O-CA 3.23Å; D19-L80 PolarHBondContact O-N 3.44Å; D19-N81 PolarHBondContact OD1-ND2 2.79Å; D19-A84 HydrophobicContact CB-CB 3.82Å; D19-A84 VanDerWaalsContact O-CB 3.28Å; D19-A84 WeakPolarHBondContact O-CB 3.35Å; D19-R87 IonicContact OD1-NH2 3.28Å; D19-R87 PolarHBondContact OD1-NH2 2.86Å; D19-R87 IonicContact OD2-CZ 3.18Å; D19-R87 IonicContact OD2-NH2 2.64Å; D19-R87 PolarHBondContact OD2-NH2 3.06Å
20Y98.3Very high96.8Very high9 Ų944.5 Ų44.54%0.03522%0.217CC..EExtended strand (participates in β ladder)trans-144.1145.8-171.2-56.3-81.3000112.6Q16 S17 V78 A79 A84 A88 L217 L222Q16-Y20 CarbonylContact C-O 3.5Å; Q16-Y20 WeakPolarHBondContact CA-O 3.42Å; S17-Y20 PolarHBondContact N-O 3.44Å; S17-Y20 PolarHBondContact OG-N 2.78Å; S17-Y20 VanDerWaalsContact OG-N 3.13Å; S17-Y20 PolarHBondContact OG-O 2.94Å; S17-Y20 VanDerWaalsContact OG-O 3.12Å; Y20-V78 WeakPolarHBondContact CA-O 3.31Å; Y20-A79 HydrophobicContact CD1-CB 4.15Å; Y20-A79 HydrophobicContact CE1-CB 4.05Å; Y20-A84 HydrophobicContact CD1-CB 4.46Å; Y20-A84 HydrophobicContact CE1-CB 3.8Å; Y20-A84 HydrophobicContact CE2-CB 4.17Å; Y20-A84 VanDerWaalsContact OH-CA 3.31Å; Y20-A84 WeakPolarHBondContact OH-CA 3.09Å; Y20-A84 PolarHBondContact OH-O 2.65Å; Y20-A88 HydrophobicContact CE1-CB 3.96Å; Y20-L217 HydrophobicContact CD2-CD1 3.91Å; Y20-L217 HydrophobicContact CE1-CD1 4.21Å; Y20-L217 HydrophobicContact CE2-CD1 3.31Å; Y20-L217 HydrophobicContact CE2-CG 4.48Å; Y20-L217 VanDerWaalsContact CZ-CD1 3.48Å; Y20-L217 WeakPolarHBondContact OH-CD2 3.36Å; Y20-L222 HydrophobicContact CD2-CD1 4.35Å; Y20-L222 HydrophobicContact CG-CD1 4Å
21I98.5Very high97.1Very high0 Ų043 Ų430%021%0.206CC..EExtended strand (participates in β ladder)trans-122.6135.2162.4-170171.9000108.8V13 Y15 Q16 V23 L46 F50 V78 L80V13-I21 HydrophobicContact CG1-CD1 4.23Å; V13-I21 HydrophobicContact CG1-CG1 3.97Å; V13-I21 HydrophobicContact CG2-CD1 4.05Å; Y15-I21 CarbonylContact O-C 3.58Å; Y15-I21 WeakPolarHBondContact O-CA 3.48Å; Q16-I21 HydrophobicContact CB-CG1 4.45Å; Q16-I21 HydrophobicContact CG-CG1 4.39Å; I21-V23 HydrophobicContact CG1-CG1 4.39Å; I21-L46 HydrophobicContact CD1-CD2 4.1Å; I21-L46 HydrophobicContact CG2-CD2 4.29Å; I21-F50 HydrophobicContact CD1-CD2 3.96Å; I21-F50 HydrophobicContact CD1-CE2 3.73Å; I21-F50 HydrophobicContact CD1-CZ 4.2Å; I21-V78 HydrophobicContact CG2-CB 3.73Å; I21-V78 HydrophobicContact CG2-CG1 4.33Å; I21-V78 HydrophobicContact CG2-CG2 4.43Å; I21-V78 PolarHBondContact N-O 3.23Å; I21-V78 PolarHBondContact O-N 3.28Å; I21-L80 HydrophobicContact CB-CD2 4.25Å; I21-L80 HydrophobicContact CG2-CD2 3.71Å
22V98.8Very high97.1Very high0 Ų044.1 Ų44.10%021%0.212CC..EExtended strand (participates in β ladder)trans-115.6128.6171.4-171.20000108.5L14 Y15 A75 L76 C77 L222 V224L14-V22 HydrophobicContact CB-CB 4.42Å; L14-V22 HydrophobicContact CB-CG1 4.39Å; L14-V22 HydrophobicContact CD1-CG1 4.3Å; L14-V22 PolarHBondContact N-O 3.22Å; Y15-V22 HydrophobicContact CD1-CG2 4.2Å; Y15-V22 PolarHBondContact N-O 2.95Å; Y15-V22 PolarHBondContact O-N 3.33Å; V22-A75 HydrophobicContact CG1-CB 4.1Å; V22-L76 WeakPolarHBondContact CA-O 3.41Å; V22-C77 HydrophobicContact CG2-CB 4.13Å; V22-L222 HydrophobicContact CG2-CD1 3.9Å; V22-L222 HydrophobicContact CG2-CD2 4.03Å; V22-L222 HydrophobicContact CG2-CG 4.34Å; V22-V224 HydrophobicContact CB-CG1 4.5Å; V22-V224 HydrophobicContact CG1-CG2 3.97Å; V22-V224 HydrophobicContact CG2-CG1 4.2Å; V22-V224 HydrophobicContact CG2-CG2 4.33Å
23V98.6Very high96.7Very high0 Ų039.6 Ų39.60%020%0.198CC..EExtended strand (participates in β ladder)trans-111150.1177.7-58.30000110.7L11 R12 I21 K25 V42 L46 A75 L76L11-V23 HydrophobicContact CD1-CB 4.03Å; L11-V23 HydrophobicContact CD1-CG1 3.86Å; L11-V23 HydrophobicContact CG-CG1 4.33Å; R12-V23 CarbonylContact O-C 3.49Å; R12-V23 VanDerWaalsContact O-CA 3.29Å; R12-V23 WeakPolarHBondContact O-CA 3.39Å; I21-V23 HydrophobicContact CG1-CG1 4.39Å; V23-K25 PolarHBondContact O-N 3.08Å; V23-V42 HydrophobicContact CG2-CG1 3.9Å; V23-L46 HydrophobicContact CG1-CD2 4.01Å; V23-A75 WeakPolarHBondContact O-CA 3.28Å; V23-L76 HydrophobicContact CG2-CB 4.03Å; V23-L76 PolarHBondContact N-O 3.47Å; V23-L76 PolarHBondContact O-N 2.94Å
24D98.3Very high96.1Very high13 Ų1344.4 Ų44.47%0.0722%0.215CC..EExtended strand (participates in β ladder)trans-84.488.4166.6-167.3-1.4000107.3R12 L14 H26 G74 H209R12-D24 HydrophobicContact CB-CB 4.01Å; R12-D24 WeakPolarHBondContact CD-OD2 3.4Å; R12-D24 HydrophobicContact CG-CB 4.03Å; R12-D24 IonicContact CZ-OD2 3.64Å; R12-D24 IonicContact NE-OD2 3.94Å; R12-D24 IonicContact NH1-OD2 3.6Å; R12-D24 PolarHBondContact NH1-OD2 3.26Å; R12-D24 PolarHBondContact O-N 3.01Å; L14-D24 HydrophobicContact CD1-CB 3.9Å; L14-D24 HydrophobicContact CD2-CB 3.92Å; L14-D24 HydrophobicContact CG-CB 3.84Å; D24-H26 PolarHBondContact O-N 2.86Å; D24-G74 WeakPolarHBondContact OD1-CA 3.26Å; D24-H209 IonicContact OD1-CE1 3.95Å; D24-H209 PolarHBondContact OD1-CE1 3.5Å
25K97.9Very high95.4Very high1 Ų146.7 Ų46.70%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-59.4129.9-177.8-171.5-177.38565.70109.2V23 V29 I31 V42 L68 D69 F70 T72 S73 G74 L76V23-K25 PolarHBondContact O-N 3.08Å; K25-V29 PolarHBondContact NZ-O 2.78Å; K25-I31 HydrophobicContact CD-CG1 4.1Å; K25-V42 HydrophobicContact CB-CG2 4.48Å; K25-V42 HydrophobicContact CD-CG2 3.7Å; K25-V42 HydrophobicContact CG-CG2 3.51Å; K25-L68 HydrophobicContact CB-CD1 4.29Å; K25-L68 HydrophobicContact CD-CB 4.41Å; K25-L68 HydrophobicContact CD-CD1 4.43Å; K25-D69 PolarHBondContact NZ-O 2.71Å; K25-F70 PolarHBondContact NZ-O 3.42Å; K25-T72 WeakPolarHBondContact CE-O 2.96Å; K25-T72 PolarHBondContact NZ-O 3.27Å; K25-S73 CarbonylContact O-C 3.56Å; K25-S73 WeakPolarHBondContact O-CA 3.2Å; K25-S73 WeakPolarHBondContact O-CB 3.47Å; K25-G74 VanDerWaalsContact CB-O 3.31Å; K25-G74 WeakPolarHBondContact CB-O 3.44Å; K25-G74 PolarHBondContact N-O 2.8Å; K25-G74 PolarHBondContact O-N 3.02Å; K25-L76 HydrophobicContact CB-CB 4.32Å; K25-L76 HydrophobicContact CD-CD2 4.21Å
26H97.3Very high94.5Very high27 Ų2754.1 Ų54.113%0.12525%0.253CS..PPolyproline II helixtrans-65155.5173.1-154.1-92.1000112E4 A6 D24 V29E4-H26 PolarHBondContact O-CE1 3.37Å; E4-H26 PolarHBondContact O-NE2 3.1Å; A6-H26 HydrophobicContact CB-CB 3.94Å; D24-H26 PolarHBondContact O-N 2.86Å; H26-V29 HydrophobicContact CB-CB 4.45Å; H26-V29 HydrophobicContact CB-CG2 3.86Å
27W96.6Very high93.9Very high22 Ų2255.9 Ų55.98%0.08326%0.257CS..THydrogen-bonded Turntrans-68.2154166.751.6-81.5000109.9V29 Y204 R205W27-V29 PolarHBondContact O-N 3.21Å; W27-Y204 AromaticContact CE2-CE2 3.89Å; W27-Y204 AromaticContact CH2-CD2 3.92Å; W27-Y204 HydrophobicContact CH2-CD2 3.92Å; W27-Y204 HydrophobicContact CH2-CE2 4.49Å; W27-Y204 AromaticContact CZ2-CD2 3.66Å; W27-Y204 HydrophobicContact CZ2-CD2 3.66Å; W27-Y204 AromaticContact CZ2-CE2 3.8Å; W27-Y204 HydrophobicContact CZ2-CE2 3.8Å; W27-Y204 WeakPolarHBondContact CZ3-O 3.49Å; W27-R205 HydrophobicContact CB-CB 4.35Å; W27-R205 HydrophobicContact CD2-CB 3.62Å; W27-R205 HydrophobicContact CD2-CG 4.44Å; W27-R205 HydrophobicContact CE3-CB 3.6Å; W27-R205 HydrophobicContact CG-CB 3.97Å; W27-R205 HydrophobicContact CZ3-CB 4.18Å
28D95.8Very high93.4Very high55 Ų5556.6 Ų56.629%0.29426%0.257SS..THydrogen-bonded Turntrans5140.2-177.2-64.9-15000114.8F70 S71D28-F70 VanDerWaalsContact CA-CZ 3.48Å; D28-F70 WeakPolarHBondContact CA-O 3.3Å; D28-F70 HydrophobicContact CB-CD1 4.49Å; D28-F70 HydrophobicContact CB-CE1 3.67Å; D28-F70 HydrophobicContact CB-CE2 4.35Å; D28-F70 HydrophobicContact CB-CZ 3.59Å; D28-F70 PolarHBondContact N-O 3.46Å; D28-F70 WeakPolarHBondContact O-CE2 3.2Å; D28-F70 VanDerWaalsContact O-CZ 3.22Å; D28-F70 WeakPolarHBondContact O-CZ 3.23Å; D28-F70 WeakPolarHBondContact OD1-CE1 3.42Å; D28-S71 WeakPolarHBondContact OD1-CA 3.31Å; D28-S71 WeakPolarHBondContact OD1-CB 3.21Å; D28-S71 PolarHBondContact OD1-OG 3.19Å
29V95.9Very high92.8Very high0 Ų056.6 Ų56.60%025%0.249CC..  trans-127.6128.6174.2174.50000109.8A6 K25 H26 W27 V42 F70A6-V29 HydrophobicContact CB-CG2 3.19Å; K25-V29 PolarHBondContact NZ-O 2.78Å; H26-V29 HydrophobicContact CB-CB 4.45Å; H26-V29 HydrophobicContact CB-CG2 3.86Å; W27-V29 PolarHBondContact O-N 3.21Å; V29-V42 HydrophobicContact CG1-CG2 3.99Å; V29-F70 PolarHBondContact N-O 3.02Å
30R95.9Very high92.5Very high109 Ų10958.3 Ų58.341%0.41126%0.255SS..BIsolated β-bridgetrans-71.7148.3173.6-64.5-176.2-174.8-79.6-5.2110.1E38 T41 V42 F70R30-E38 IonicContact NE-OE2 3.85Å; R30-E38 PolarHBondContact NE-OE2 3.34Å; R30-T41 HydrophobicContact CB-CG2 4.26Å; R30-T41 CarbonylContact O-C 3.53Å; R30-T41 WeakPolarHBondContact O-CA 3.46Å; R30-T41 WeakPolarHBondContact O-CB 3.33Å; R30-V42 PolarHBondContact O-N 2.9Å; R30-F70 HydrophobicContact CB-CD2 4.47Å; R30-F70 HydrophobicContact CG-CD2 3.57Å; R30-F70 HydrophobicContact CG-CE2 4.03Å
31I96.4Very high92.4Very high17 Ų1757.9 Ų57.99%0.08725%0.254CS..SBendtrans-66.3-52.6173.4-67.1179.9000110K25 V42 Q43 F64 Q67 L68 L76K25-I31 HydrophobicContact CD-CG1 4.1Å; I31-V42 PolarHBondContact O-N 3.01Å; I31-Q43 WeakPolarHBondContact O-CB 3.36Å; I31-Q43 PolarHBondContact O-N 2.84Å; I31-F64 HydrophobicContact CG2-CB 4.43Å; I31-F64 HydrophobicContact CG2-CD1 3.49Å; I31-F64 VanDerWaalsContact CG2-CD1 3.49Å; I31-F64 HydrophobicContact CG2-CD2 3.62Å; I31-F64 HydrophobicContact CG2-CE1 3.5Å; I31-F64 HydrophobicContact CG2-CE2 3.61Å; I31-F64 HydrophobicContact CG2-CG 3.56Å; I31-F64 HydrophobicContact CG2-CZ 3.56Å; I31-Q67 HydrophobicContact CD1-CB 4.24Å; I31-L68 HydrophobicContact CD1-CB 4.47Å; I31-L76 HydrophobicContact CD1-CD1 3.94Å; I31-L76 HydrophobicContact CD1-CD2 3.94Å; I31-L76 HydrophobicContact CG1-CD2 3.84Å; I31-L76 HydrophobicContact CG2-CD2 4.26Å
32D92.9Very high92.3Very high51 Ų5157.9 Ų57.927%0.27325%0.254SS..  trans-142.5169.3176.562.959000109.8Q43 Y60 F64D32-Q43 HydrophobicContact CB-CB 4.22Å; D32-Y60 HydrophobicContact CB-CD1 3.92Å; D32-Y60 HydrophobicContact CB-CD2 4.22Å; D32-Y60 HydrophobicContact CB-CE1 3.89Å; D32-Y60 HydrophobicContact CB-CE2 4.17Å; D32-Y60 HydrophobicContact CB-CG 4.08Å; D32-Y60 VanDerWaalsContact OD1-CZ 3.31Å; D32-Y60 PolarHBondContact OD1-OH 2.98Å; D32-Y60 VanDerWaalsContact OD1-OH 3.05Å; D32-F64 HydrophobicContact CB-CE2 4.45Å
33S89.3Confident92.2Very high25 Ų2559.1 Ų59.118%0.17526%0.26CS..  trans-152.6145.3174.4-1740000110.8M35 E38S33-M35 WeakPolarHBondContact OG-CB 3.33Å; S33-M35 PolarHBondContact OG-N 3Å; S33-E38 WeakPolarHBondContact OG-CB 3.36Å
34K84.3Confident92.1Very high155 Ų15561.5 Ų61.567%0.67427%0.272SS*.SBendtrans-91.8-7.6167.3-60.5-171.6177.3179.70112.5W36 Y59 Y60K34-W36 PolarHBondContact O-N 3.19Å; K34-Y59 HydrophobicContact CG-CE1 4.16Å; K34-Y60 WeakPolarHBondContact CE-OH 3.22Å; K34-Y60 HydrophobicContact CG-CE1 4.37Å; K34-Y60 VanDerWaalsContact CG-OH 3.28Å; K34-Y60 WeakPolarHBondContact CG-OH 3.08Å
35M84.8Confident92Very high92 Ų9261 Ų6145%0.45327%0.269SS..  trans-82.1116.2-177.6-61171.3178.100108.6S33 Y37 E38S33-M35 WeakPolarHBondContact OG-CB 3.33Å; S33-M35 PolarHBondContact OG-N 3Å; M35-Y37 HydrophobicContact CB-CD1 4.35Å; M35-Y37 HydrophobicContact CB-CD2 4.46Å; M35-Y37 HydrophobicContact CB-CE1 3.95Å; M35-Y37 HydrophobicContact CB-CE2 4.06Å; M35-Y37 HydrophobicContact CG-CE1 4.42Å; M35-Y37 PolarHBondContact O-N 3.2Å; M35-Y37 VanDerWaalsContact O-N 3.09Å; M35-Y37 HydrophobicContact SD-CE2 4.11Å; M35-Y37 PolarHBondContact SD-OH 3.25Å; M35-E38 HydrophobicContact CB-CB 4.25Å; M35-E38 WeakPolarHBondContact O-CB 3.17Å; M35-E38 PolarHBondContact O-N 3.08Å
36W79.3Confident92Very high227 Ų22760.9 Ų60.986%0.8627%0.269SS*.THydrogen-bonded Turntrans-58.9-24.4-175.265.1-95.3000114.2K34K34-W36 PolarHBondContact O-N 3.19Å
37Y83.9Confident91.9Very high132 Ų13262.9 Ų62.952%0.51828%0.28SS..THydrogen-bonded Turntrans-86.8-11.1179.156.4-101.3000113.4M35 K39M35-Y37 HydrophobicContact CB-CD1 4.35Å; M35-Y37 HydrophobicContact CB-CD2 4.46Å; M35-Y37 HydrophobicContact CB-CE1 3.95Å; M35-Y37 HydrophobicContact CB-CE2 4.06Å; M35-Y37 HydrophobicContact CG-CE1 4.42Å; M35-Y37 PolarHBondContact O-N 3.2Å; M35-Y37 VanDerWaalsContact O-N 3.09Å; M35-Y37 HydrophobicContact SD-CE2 4.11Å; M35-Y37 PolarHBondContact SD-OH 3.25Å; Y37-K39 PolarHBondContact O-N 3.07Å
38E85.9Confident91.9Very high49 Ų4966.9 Ų66.923%0.22930%0.299CS..  trans-77.8104175.8-178.460.9-91.600109R30 S33 M35 Q40 T41R30-E38 IonicContact NE-OE2 3.85Å; R30-E38 PolarHBondContact NE-OE2 3.34Å; S33-E38 WeakPolarHBondContact OG-CB 3.36Å; M35-E38 HydrophobicContact CB-CB 4.25Å; M35-E38 WeakPolarHBondContact O-CB 3.17Å; M35-E38 PolarHBondContact O-N 3.08Å; E38-Q40 PolarHBondContact OE1-N 2.84Å; E38-T41 HydrophobicContact CG-CG2 3.6Å
39K83.6Confident91.9Very high153 Ų15367.7 Ų67.767%0.66530%0.301SS*.  trans-100.6-5.7-174.5-65.3-177.5-178.9-177.90113Y37 L44Y37-K39 PolarHBondContact O-N 3.07Å; K39-L44 WeakPolarHBondContact O-CD1 3.39Å
40Q90.2Very high92Very high87 Ų8769.3 Ų69.341%0.40731%0.309SS..  trans-122.782.8-174.8-65.8-173.2-13.500110.2A6 E38A6-Q40 PolarHBondContact O-NE2 2.83Å; A6-Q40 VanDerWaalsContact O-NE2 3.12Å; A6-Q40 PolarHBondContact O-OE1 2.99Å; E38-Q40 PolarHBondContact OE1-N 2.84Å
41T95.8Very high92Very high1 Ų167.9 Ų67.91%0.00631%0.313CS..BIsolated β-bridgetrans-125.9156.4173.671.40000110.5R30 E38 Q43 L44 Q45R30-T41 HydrophobicContact CB-CG2 4.26Å; R30-T41 CarbonylContact O-C 3.53Å; R30-T41 WeakPolarHBondContact O-CA 3.46Å; R30-T41 WeakPolarHBondContact O-CB 3.33Å; E38-T41 HydrophobicContact CG-CG2 3.6Å; T41-Q43 PolarHBondContact O-N 2.84Å; T41-Q43 PolarHBondContact OG1-N 3.2Å; T41-L44 PolarHBondContact O-N 3.39Å; T41-L44 WeakPolarHBondContact OG1-CG 3.12Å; T41-L44 PolarHBondContact OG1-N 2.81Å; T41-Q45 WeakPolarHBondContact O-CG 3.48Å; T41-Q45 PolarHBondContact O-N 2.85Å
42V97.1Very high92Very high0 Ų073.8 Ų73.80%034%0.34CS..Hα-helixtrans-58.1-38.1171.2-174.80000110.6V23 K25 V29 R30 I31 L44 Q45 L46 F64 L76V23-V42 HydrophobicContact CG2-CG1 3.9Å; K25-V42 HydrophobicContact CB-CG2 4.48Å; K25-V42 HydrophobicContact CD-CG2 3.7Å; K25-V42 HydrophobicContact CG-CG2 3.51Å; V29-V42 HydrophobicContact CG1-CG2 3.99Å; R30-V42 PolarHBondContact O-N 2.9Å; I31-V42 PolarHBondContact O-N 3.01Å; V42-L44 PolarHBondContact O-N 2.89Å; V42-Q45 PolarHBondContact O-N 2.97Å; V42-L46 HydrophobicContact CG1-CD1 3.91Å; V42-L46 HydrophobicContact CG1-CG 4.25Å; V42-L46 WeakPolarHBondContact O-CB 3.48Å; V42-L46 WeakPolarHBondContact O-CG 3.35Å; V42-L46 PolarHBondContact O-N 2.97Å; V42-F64 HydrophobicContact CB-CE1 4.48Å; V42-F64 HydrophobicContact CG1-CE1 4.17Å; V42-L76 HydrophobicContact CB-CD2 4.49Å; V42-L76 HydrophobicContact CG1-CD2 4.14Å; V42-L76 HydrophobicContact CG2-CD2 4.26Å
43Q96.7Very high92.1Very high25 Ų2573 Ų7312%0.11734%0.336CS..Hα-helixtrans-57.8-46.1176.1177.6-87.2-31.100112.3I31 D32 T41 L46 L47 Y60 F62 F64I31-Q43 WeakPolarHBondContact O-CB 3.36Å; I31-Q43 PolarHBondContact O-N 2.84Å; D32-Q43 HydrophobicContact CB-CB 4.22Å; T41-Q43 PolarHBondContact O-N 2.84Å; T41-Q43 PolarHBondContact OG1-N 3.2Å; Q43-L46 PolarHBondContact O-N 2.88Å; Q43-L47 WeakPolarHBondContact O-CB 3.32Å; Q43-L47 PolarHBondContact O-N 3.47Å; Q43-Y60 WeakPolarHBondContact CG-O 3.44Å; Q43-Y60 PolarHBondContact NE2-O 2.85Å; Q43-F62 HydrophobicContact CG-CD2 4.22Å; Q43-F64 HydrophobicContact CB-CE2 4.29Å; Q43-F64 HydrophobicContact CB-CZ 4.05Å
44L95.7Very high92.4Very high50 Ų5073.3 Ų73.326%0.26234%0.34SS..Hα-helixtrans-70.3-38.9177.6-69.9175.9000111.6I8 K39 T41 V42 L47 H48I8-L44 VanDerWaalsContact CD1-C 3.4Å; I8-L44 HydrophobicContact CD1-CB 3.59Å; I8-L44 WeakPolarHBondContact CD1-O 3.27Å; K39-L44 WeakPolarHBondContact O-CD1 3.39Å; T41-L44 PolarHBondContact O-N 3.39Å; T41-L44 WeakPolarHBondContact OG1-CG 3.12Å; T41-L44 PolarHBondContact OG1-N 2.81Å; V42-L44 PolarHBondContact O-N 2.89Å; L44-L47 PolarHBondContact O-N 2.75Å; L44-H48 WeakPolarHBondContact O-CB 3.42Å; L44-H48 PolarHBondContact O-N 2.99Å
45Q97.1Very high92.8Very high2 Ų267.5 Ų67.51%0.00932%0.316CS..Hα-helixtrans-59.5-48.1173.8-70.2171-31.400110.7S7 I8 S10 L11 T41 V42 L47 H48 H49S7-Q45 PolarHBondContact O-NE2 2.79Å; I8-Q45 HydrophobicContact CD1-CG 4.23Å; S10-Q45 PolarHBondContact O-NE2 3.24Å; L11-Q45 HydrophobicContact CB-CB 4.3Å; L11-Q45 HydrophobicContact CD1-CB 3.97Å; L11-Q45 HydrophobicContact CD2-CB 4.43Å; L11-Q45 HydrophobicContact CG-CB 4.46Å; T41-Q45 WeakPolarHBondContact O-CG 3.48Å; T41-Q45 PolarHBondContact O-N 2.85Å; V42-Q45 PolarHBondContact O-N 2.97Å; Q45-L47 VanDerWaalsContact C-N 3.34Å; Q45-L47 PolarHBondContact O-N 3.27Å; Q45-H48 PolarHBondContact O-N 2.85Å; Q45-H49 PolarHBondContact O-CD2 3.36Å; Q45-H49 PolarHBondContact O-N 3.13Å
46L97.3Very high93.1Very high0 Ų069.3 Ų69.30%034%0.335CS..Hα-helixtrans-60.2-42.7175.8-77.1166.5000112L11 I21 V23 V42 Q43 H48 F50 F62 F64 V78L11-L46 HydrophobicContact CD2-CD2 3.99Å; L11-L46 HydrophobicContact CD2-CG 4.36Å; I21-L46 HydrophobicContact CD1-CD2 4.1Å; I21-L46 HydrophobicContact CG2-CD2 4.29Å; V23-L46 HydrophobicContact CG1-CD2 4.01Å; V42-L46 HydrophobicContact CG1-CD1 3.91Å; V42-L46 HydrophobicContact CG1-CG 4.25Å; V42-L46 WeakPolarHBondContact O-CB 3.48Å; V42-L46 WeakPolarHBondContact O-CG 3.35Å; V42-L46 PolarHBondContact O-N 2.97Å; Q43-L46 PolarHBondContact O-N 2.88Å; L46-H48 VanDerWaalsContact C-N 3.34Å; L46-H48 PolarHBondContact O-N 3.37Å; L46-F50 HydrophobicContact CD2-CD2 4.29Å; L46-F50 CarbonylContact O-C 3.45Å; L46-F50 WeakPolarHBondContact O-CA 3.22Å; L46-F50 WeakPolarHBondContact O-CB 3.34Å; L46-F50 PolarHBondContact O-N 3.06Å; L46-F62 HydrophobicContact CB-CD1 4.45Å; L46-F62 HydrophobicContact CB-CD2 4.02Å; L46-F62 HydrophobicContact CB-CE1 4.03Å; L46-F62 HydrophobicContact CB-CE2 3.55Å; L46-F62 HydrophobicContact CB-CG 4.45Å; L46-F62 HydrophobicContact CB-CZ 3.57Å; L46-F62 HydrophobicContact CD1-CD1 4.41Å; L46-F62 HydrophobicContact CD1-CD2 4.35Å; L46-F62 HydrophobicContact CD1-CG 4.21Å; L46-F64 HydrophobicContact CD1-CE1 4.02Å; L46-F64 HydrophobicContact CD1-CZ 4.22Å; L46-V78 HydrophobicContact CD1-CG2 3.96Å
47L95.9Very high93.7Very high69 Ų6962.8 Ų62.836%0.36132%0.324SS..Hα-helixtrans-64.2-39.3177.8-175.662.8000112.1Q43 L44 Q45 P51 A54 F62Q43-L47 WeakPolarHBondContact O-CB 3.32Å; Q43-L47 PolarHBondContact O-N 3.47Å; L44-L47 PolarHBondContact O-N 2.75Å; Q45-L47 VanDerWaalsContact C-N 3.34Å; Q45-L47 PolarHBondContact O-N 3.27Å; L47-P51 WeakPolarHBondContact O-CA 3.34Å; L47-P51 WeakPolarHBondContact O-CB 3.43Å; L47-P51 WeakPolarHBondContact O-CD 3.39Å; L47-A54 HydrophobicContact CD1-CB 3.86Å; L47-F62 HydrophobicContact CB-CE2 4.09Å
48H96.1Very high93.9Very high105 Ų10557.6 Ų57.649%0.48631%0.306SS..Hα-helixtrans-65.4-47.3178.5-179.384.3000111.9I8 L44 Q45 L46I8-H48 HydrophobicContact CD1-CB 4.26Å; I8-H48 HydrophobicContact CG1-CB 3.9Å; L44-H48 WeakPolarHBondContact O-CB 3.42Å; L44-H48 PolarHBondContact O-N 2.99Å; Q45-H48 PolarHBondContact O-N 2.85Å; L46-H48 VanDerWaalsContact C-N 3.34Å; L46-H48 PolarHBondContact O-N 3.37Å
49H96.9Very high93.9Very high73 Ų7363.5 Ų63.534%0.33833%0.327SS..Hα-helixtrans-82.3-33.4-176.5-74.7-90.8000113.5I8 E9 L11 Q45I8-H49 PolarHBondContact O-NE2 3.05Å; E9-H49 PolarHBondContact O-CE1 2.88Å; E9-H49 PolarHBondContact O-NE2 3.2Å; L11-H49 HydrophobicContact CD2-CB 3.96Å; Q45-H49 PolarHBondContact O-CD2 3.36Å; Q45-H49 PolarHBondContact O-N 3.13Å
50F96.8Very high94Very high34 Ų3458.8 Ų58.815%0.14931%0.306CS..  trans-133.960-173.3-55-75.6000112.2L11 V13 I21 L46 H52 L53L11-F50 HydrophobicContact CD2-CD2 4.15Å; L11-F50 HydrophobicContact CD2-CE2 3.87Å; V13-F50 HydrophobicContact CG2-CE2 3.78Å; V13-F50 HydrophobicContact CG2-CZ 3.83Å; I21-F50 HydrophobicContact CD1-CD2 3.96Å; I21-F50 HydrophobicContact CD1-CE2 3.73Å; I21-F50 HydrophobicContact CD1-CZ 4.2Å; L46-F50 HydrophobicContact CD2-CD2 4.29Å; L46-F50 CarbonylContact O-C 3.45Å; L46-F50 WeakPolarHBondContact O-CA 3.22Å; L46-F50 WeakPolarHBondContact O-CB 3.34Å; L46-F50 PolarHBondContact O-N 3.06Å; F50-H52 PolarHBondContact O-N 2.85Å; F50-H52 VanDerWaalsContact O-N 3.13Å; F50-L53 HydrophobicContact CB-CB 4.06Å; F50-L53 HydrophobicContact CB-CD1 3.65Å; F50-L53 HydrophobicContact CB-CG 3.84Å; F50-L53 HydrophobicContact CD1-CD1 4.09Å; F50-L53 HydrophobicContact CG-CD1 3.9Å; F50-L53 PolarHBondContact O-N 2.97Å
51P96.3Very high94.1Very high79 Ų7955.2 Ų55.251%0.51329%0.292SS..G310 helixtrans-60.4-29.2-177.724.1-34.3000112.8L47 L53 A54L47-P51 WeakPolarHBondContact O-CA 3.34Å; L47-P51 WeakPolarHBondContact O-CB 3.43Å; L47-P51 WeakPolarHBondContact O-CD 3.39Å; P51-L53 VanDerWaalsContact C-N 3.27Å; P51-L53 PolarHBondContact O-N 2.97Å; P51-A54 WeakPolarHBondContact O-CB 3.34Å; P51-A54 PolarHBondContact O-N 3.39Å
52H95.8Very high94.1Very high141 Ų14155.7 Ų55.765%0.65329%0.294SS*.G310 helixtrans-71.9-16.3177.666.1-86.3000114F50F50-H52 PolarHBondContact O-N 2.85Å; F50-H52 VanDerWaalsContact O-N 3.13Å
53L95.6Very high94.1Very high34 Ų3458.7 Ų58.718%0.17831%0.305CS..G310 helixtrans-89-7.9176.1-62.8-175.3000112.8F50 P51 D55 F62 L80F50-L53 HydrophobicContact CB-CB 4.06Å; F50-L53 HydrophobicContact CB-CD1 3.65Å; F50-L53 HydrophobicContact CB-CG 3.84Å; F50-L53 HydrophobicContact CD1-CD1 4.09Å; F50-L53 HydrophobicContact CG-CD1 3.9Å; F50-L53 PolarHBondContact O-N 2.97Å; P51-L53 VanDerWaalsContact C-N 3.27Å; P51-L53 PolarHBondContact O-N 2.97Å; L53-D55 PolarHBondContact O-N 3.15Å; L53-F62 HydrophobicContact CB-CE1 4.1Å; L53-L80 HydrophobicContact CB-CD2 4.25Å; L53-L80 HydrophobicContact CD1-CD1 4.27Å; L53-L80 HydrophobicContact CD1-CD2 3.91Å; L53-L80 HydrophobicContact CD2-CD1 4.24Å; L53-L80 HydrophobicContact CD2-CD2 4.48Å; L53-L80 HydrophobicContact CG-CD2 4.45Å
54A95.2Very high94.1Very high31 Ų3159.6 Ų59.626%0.25631%0.309SS..  trans-69.9127.4179.400000110.9L47 P51 P56 G61 F62L47-A54 HydrophobicContact CD1-CB 3.86Å; P51-A54 WeakPolarHBondContact O-CB 3.34Å; P51-A54 PolarHBondContact O-N 3.39Å; A54-P56 WeakPolarHBondContact O-CD 3.29Å; A54-G61 CarbonylContact C-O 3.51Å; A54-G61 WeakPolarHBondContact CA-O 3.3Å; A54-F62 HydrophobicContact CB-CE1 4.45Å; A54-F62 HydrophobicContact CB-CE2 4.5Å; A54-F62 HydrophobicContact CB-CZ 4.05Å
55D93.1Very high94.2Very high34 Ų3458.2 Ų58.218%0.18230%0.304CS..  trans-91.9105.5176.2-176.1-15.3000110.2L53 S57 T58 G61 R63L53-D55 PolarHBondContact O-N 3.15Å; D55-S57 VanDerWaalsContact CG-OG 3.23Å; D55-S57 PolarHBondContact O-N 3.14Å; D55-S57 VanDerWaalsContact O-N 3.1Å; D55-S57 VanDerWaalsContact OD1-CB 3.25Å; D55-S57 WeakPolarHBondContact OD1-CB 3.47Å; D55-S57 PolarHBondContact OD1-N 3.42Å; D55-S57 PolarHBondContact OD1-OG 3.32Å; D55-S57 PolarHBondContact OD2-OG 3.23Å; D55-T58 HydrophobicContact CB-CG2 4.12Å; D55-T58 PolarHBondContact O-N 3.16Å; D55-T58 PolarHBondContact O-OG1 2.87Å; D55-G61 PolarHBondContact N-O 2.77Å; D55-G61 WeakPolarHBondContact O-CA 3.35Å; D55-R63 IonicContact OD2-CZ 2.82Å; D55-R63 IonicContact OD2-NE 3.42Å; D55-R63 PolarHBondContact OD2-NE 2.93Å; D55-R63 IonicContact OD2-NH2 3.55Å; D55-R63 PolarHBondContact OD2-NH2 2.69Å
56P91.8Very high94.1Very high130 Ų13059.3 Ų59.384%0.84431%0.309SS*.THydrogen-bonded Turntrans-67.1-13.1-176.929.7-36.3000113A54 T58A54-P56 WeakPolarHBondContact O-CD 3.29Å; P56-T58 PolarHBondContact O-N 2.78Å
57S91.1Very high94Very high89 Ų8967.1 Ų67.162%0.62235%0.345SS*.THydrogen-bonded Turntrans-77.5-4.9173.876.40000113.2D55 R63D55-S57 VanDerWaalsContact CG-OG 3.23Å; D55-S57 PolarHBondContact O-N 3.14Å; D55-S57 VanDerWaalsContact O-N 3.1Å; D55-S57 VanDerWaalsContact OD1-CB 3.25Å; D55-S57 WeakPolarHBondContact OD1-CB 3.47Å; D55-S57 PolarHBondContact OD1-N 3.42Å; D55-S57 PolarHBondContact OD1-OG 3.32Å; D55-S57 PolarHBondContact OD2-OG 3.23Å; S57-R63 PolarHBondContact OG-NH2 3.45Å; S57-R63 VanDerWaalsContact OG-NH2 3.13Å
58T88.7Confident94.1Very high24 Ų2464.6 Ų64.615%0.14733%0.332CS..SBendtrans-111.6143.917967.50000110.8D55 P56 Y60 G61 F62 R63D55-T58 HydrophobicContact CB-CG2 4.12Å; D55-T58 PolarHBondContact O-N 3.16Å; D55-T58 PolarHBondContact O-OG1 2.87Å; P56-T58 PolarHBondContact O-N 2.78Å; T58-Y60 PolarHBondContact O-N 2.82Å; T58-G61 PolarHBondContact O-N 3.46Å; T58-G61 WeakPolarHBondContact OG1-CA 3.5Å; T58-G61 PolarHBondContact OG1-N 3.35Å; T58-F62 PolarHBondContact OG1-N 3.42Å; T58-R63 HydrophobicContact CG2-CG 4.06Å; T58-R63 VanDerWaalsContact CG2-NH1 3.27Å
59Y85.7Confident94.1Very high173 Ų17361.7 Ų61.768%0.67832%0.32SS*.THydrogen-bonded Turntrans-58.2-37.2-179.2-178.1-99.9000113.1K34K34-Y59 HydrophobicContact CG-CE1 4.16Å
60Y85.2Confident94Very high53 Ų5362.2 Ų62.221%0.20832%0.321CS..THydrogen-bonded Turntrans-101.81.5-176.9-68-57000114.1D32 K34 Q43 T58 F62D32-Y60 HydrophobicContact CB-CD1 3.92Å; D32-Y60 HydrophobicContact CB-CD2 4.22Å; D32-Y60 HydrophobicContact CB-CE1 3.89Å; D32-Y60 HydrophobicContact CB-CE2 4.17Å; D32-Y60 HydrophobicContact CB-CG 4.08Å; D32-Y60 VanDerWaalsContact OD1-CZ 3.31Å; D32-Y60 PolarHBondContact OD1-OH 2.98Å; D32-Y60 VanDerWaalsContact OD1-OH 3.05Å; K34-Y60 WeakPolarHBondContact CE-OH 3.22Å; K34-Y60 HydrophobicContact CG-CE1 4.37Å; K34-Y60 VanDerWaalsContact CG-OH 3.28Å; K34-Y60 WeakPolarHBondContact CG-OH 3.08Å; Q43-Y60 WeakPolarHBondContact CG-O 3.44Å; Q43-Y60 PolarHBondContact NE2-O 2.85Å; T58-Y60 PolarHBondContact O-N 2.82Å; Y60-F62 PolarHBondContact O-N 2.82Å
61G92.4Very high94Very high12 Ų1261.9 Ų61.912%0.12432%0.324CS..SBendtrans75.9-15.3-173.400000115A54 D55 T58A54-G61 CarbonylContact C-O 3.51Å; A54-G61 WeakPolarHBondContact CA-O 3.3Å; D55-G61 PolarHBondContact N-O 2.77Å; D55-G61 WeakPolarHBondContact O-CA 3.35Å; T58-G61 PolarHBondContact O-N 3.46Å; T58-G61 WeakPolarHBondContact OG1-CA 3.5Å; T58-G61 PolarHBondContact OG1-N 3.35Å
62F96.1Very high94.1Very high12 Ų1258.3 Ų58.35%0.05330%0.3CS..SBendtrans-136153.1-174.4-62.1-75.4000112.8Q43 L46 L47 L53 A54 T58 Y60 F64 V78Q43-F62 HydrophobicContact CG-CD2 4.22Å; L46-F62 HydrophobicContact CB-CD1 4.45Å; L46-F62 HydrophobicContact CB-CD2 4.02Å; L46-F62 HydrophobicContact CB-CE1 4.03Å; L46-F62 HydrophobicContact CB-CE2 3.55Å; L46-F62 HydrophobicContact CB-CG 4.45Å; L46-F62 HydrophobicContact CB-CZ 3.57Å; L46-F62 HydrophobicContact CD1-CD1 4.41Å; L46-F62 HydrophobicContact CD1-CD2 4.35Å; L46-F62 HydrophobicContact CD1-CG 4.21Å; L47-F62 HydrophobicContact CB-CE2 4.09Å; L53-F62 HydrophobicContact CB-CE1 4.1Å; A54-F62 HydrophobicContact CB-CE1 4.45Å; A54-F62 HydrophobicContact CB-CE2 4.5Å; A54-F62 HydrophobicContact CB-CZ 4.05Å; T58-F62 PolarHBondContact OG1-N 3.42Å; Y60-F62 PolarHBondContact O-N 2.82Å; F62-F64 HydrophobicContact CB-CE2 4.21Å; F62-F64 HydrophobicContact CB-CZ 4.26Å; F62-V78 HydrophobicContact CB-CG1 3.86Å; F62-V78 HydrophobicContact CD1-CG1 4.31Å; F62-V78 HydrophobicContact CG-CG1 4.48Å
63R96.9Very high94.3Very high62 Ų6251.6 Ų51.623%0.23427%0.269CS..EExtended strand (participates in β ladder)trans-108.581.8-178.6-55.4178.8-179.9-73.61.6110.6D55 S57 T58 C65 A79 A85D55-R63 IonicContact OD2-CZ 2.82Å; D55-R63 IonicContact OD2-NE 3.42Å; D55-R63 PolarHBondContact OD2-NE 2.93Å; D55-R63 IonicContact OD2-NH2 3.55Å; D55-R63 PolarHBondContact OD2-NH2 2.69Å; S57-R63 PolarHBondContact OG-NH2 3.45Å; S57-R63 VanDerWaalsContact OG-NH2 3.13Å; T58-R63 HydrophobicContact CG2-CG 4.06Å; T58-R63 VanDerWaalsContact CG2-NH1 3.27Å; R63-C65 PolarHBondContact O-N 2.98Å; R63-A79 HydrophobicContact CB-CB 4.2Å; R63-A79 WeakPolarHBondContact CB-O 3.32Å; R63-A79 PolarHBondContact O-N 2.9Å; R63-A85 HydrophobicContact CB-CB 4.13Å
64F97Very high94.4Very high44 Ų4450 Ų5019%0.19326%0.26CS..EExtended strand (participates in β ladder)trans-61.5122.4175.4-62-75.8000110.9I31 D32 V42 Q43 L46 F62 L76 V78I31-F64 HydrophobicContact CG2-CB 4.43Å; I31-F64 HydrophobicContact CG2-CD1 3.49Å; I31-F64 VanDerWaalsContact CG2-CD1 3.49Å; I31-F64 HydrophobicContact CG2-CD2 3.62Å; I31-F64 HydrophobicContact CG2-CE1 3.5Å; I31-F64 HydrophobicContact CG2-CE2 3.61Å; I31-F64 HydrophobicContact CG2-CG 3.56Å; I31-F64 HydrophobicContact CG2-CZ 3.56Å; D32-F64 HydrophobicContact CB-CE2 4.45Å; V42-F64 HydrophobicContact CB-CE1 4.48Å; V42-F64 HydrophobicContact CG1-CE1 4.17Å; Q43-F64 HydrophobicContact CB-CE2 4.29Å; Q43-F64 HydrophobicContact CB-CZ 4.05Å; L46-F64 HydrophobicContact CD1-CE1 4.02Å; L46-F64 HydrophobicContact CD1-CZ 4.22Å; F62-F64 HydrophobicContact CB-CE2 4.21Å; F62-F64 HydrophobicContact CB-CZ 4.26Å; F64-L76 HydrophobicContact CD1-CD2 4Å; F64-L76 HydrophobicContact CD1-CG 4.38Å; F64-L76 HydrophobicContact CE1-CD2 4.11Å; F64-V78 HydrophobicContact CD1-CG2 3.54Å; F64-V78 HydrophobicContact CE1-CG2 3.66Å
65C96.9Very high94.6Very high22 Ų2248.6 Ų48.615%0.14925%0.249CC..SBendtrans-78.7-24.1-175.8-690000113R63 C77 A88 F92R63-C65 PolarHBondContact O-N 2.98Å; C65-C77 HydrophobicContact CB-CB 4.39Å; C65-C77 WeakPolarHBondContact CB-O 3.47Å; C65-C77 PolarHBondContact N-O 2.72Å; C65-A88 HydrophobicContact CB-CB 4.05Å; C65-A88 VanDerWaalsContact SG-CB 3.58Å; C65-F92 HydrophobicContact CB-CE2 4.03Å
66H95.9Very high94.8Very high24 Ų2447 Ų4711%0.11124%0.24CC..SBendtrans-154.1-179.7175.567.197.2000110.1A75 L76 C77 F92H66-A75 PolarHBondContact CE1-O 3Å; H66-L76 WeakPolarHBondContact O-CD1 3.48Å; H66-C77 PolarHBondContact NE2-N 3.36Å; H66-C77 VanDerWaalsContact NE2-N 3.16Å; H66-F92 HydrophobicContact CB-CD1 4.17Å; H66-F92 HydrophobicContact CB-CE1 3.57Å; H66-F92 HydrophobicContact CB-CE2 4.14Å; H66-F92 HydrophobicContact CB-CZ 3.57Å; H66-F92 AromaticContact CD2-CZ 3.44Å; H66-F92 VanDerWaalsContact CD2-CZ 3.44Å; H66-F92 WeakPolarHBondContact CD2-CZ 3.12Å; H66-F92 AromaticContact CG-CE1 3.93Å; H66-F92 AromaticContact CG-CZ 3.66Å
67Q95.3Very high95.1Very high165 Ų16540.8 Ų40.877%0.77120%0.2SC*.  trans-114.4160.7178.4-65179.7-6.900111.4I31I31-Q67 HydrophobicContact CD1-CB 4.24Å
68L96.9Very high95.5Very high16 Ų1636.5 Ų36.58%0.08417%0.171CC..  trans-135.1146.1165.7-70.9-178.8000107K25 I31 T72 L76 Y101 A210K25-L68 HydrophobicContact CB-CD1 4.29Å; K25-L68 HydrophobicContact CD-CB 4.41Å; K25-L68 HydrophobicContact CD-CD1 4.43Å; I31-L68 HydrophobicContact CD1-CB 4.47Å; L68-T72 HydrophobicContact CD2-CG2 4.2Å; L68-L76 HydrophobicContact CD1-CB 4.2Å; L68-L76 HydrophobicContact CG-CD1 4.39Å; L68-Y101 HydrophobicContact CD2-CE1 3.98Å; L68-A210 HydrophobicContact CD1-CB 4.04Å; L68-A210 HydrophobicContact CD2-CB 3.82Å
69D96.4Very high95.9Very high44 Ų4435.5 Ų35.524%0.23516%0.164CC..  trans-62.1156174.8-60.6-13.8000110.2K25 S71 T72 H176 R179K25-D69 PolarHBondContact NZ-O 2.71Å; D69-S71 VanDerWaalsContact C-N 3.35Å; D69-S71 PolarHBondContact O-N 2.97Å; D69-T72 PolarHBondContact O-N 2.97Å; D69-T72 VanDerWaalsContact O-N 3.08Å; D69-H176 IonicContact OD1-CD2 3.95Å; D69-H176 IonicContact OD2-CD2 3.52Å; D69-H176 PolarHBondContact OD2-CD2 2.95Å; D69-R179 WeakPolarHBondContact OD2-CD 3.19Å; D69-R179 IonicContact OD2-NH1 3.31Å; D69-R179 PolarHBondContact OD2-NH1 2.92Å
70F95.6Very high96.5Very high83 Ų8328.6 Ų28.636%0.36414%0.139SC..THydrogen-bonded Turntrans-46.9-55.2176.9169.9-105.1000112.2K25 D28 V29 R30 T72K25-F70 PolarHBondContact NZ-O 3.42Å; D28-F70 VanDerWaalsContact CA-CZ 3.48Å; D28-F70 WeakPolarHBondContact CA-O 3.3Å; D28-F70 HydrophobicContact CB-CD1 4.49Å; D28-F70 HydrophobicContact CB-CE1 3.67Å; D28-F70 HydrophobicContact CB-CE2 4.35Å; D28-F70 HydrophobicContact CB-CZ 3.59Å; D28-F70 PolarHBondContact N-O 3.46Å; D28-F70 WeakPolarHBondContact O-CE2 3.2Å; D28-F70 VanDerWaalsContact O-CZ 3.22Å; D28-F70 WeakPolarHBondContact O-CZ 3.23Å; D28-F70 WeakPolarHBondContact OD1-CE1 3.42Å; V29-F70 PolarHBondContact N-O 3.02Å; R30-F70 HydrophobicContact CB-CD2 4.47Å; R30-F70 HydrophobicContact CG-CD2 3.57Å; R30-F70 HydrophobicContact CG-CE2 4.03Å; F70-T72 VanDerWaalsContact C-N 3.32Å; F70-T72 PolarHBondContact O-N 2.83Å
71S96.8Very high97Very high28 Ų2828.3 Ų28.320%0.19614%0.141CC..THydrogen-bonded Turntrans-79.2-9.2-177.3-56.10000114.9D28 D69D28-S71 WeakPolarHBondContact OD1-CA 3.31Å; D28-S71 WeakPolarHBondContact OD1-CB 3.21Å; D28-S71 PolarHBondContact OD1-OG 3.19Å; D69-S71 VanDerWaalsContact C-N 3.35Å; D69-S71 PolarHBondContact O-N 2.97Å
72T98.3Very high97.2Very high3 Ų335.6 Ų35.62%0.01817%0.17CC..  trans-83.5126.6178.1-61.30000110K25 L68 D69 F70 Y101 M206 L208K25-T72 WeakPolarHBondContact CE-O 2.96Å; K25-T72 PolarHBondContact NZ-O 3.27Å; L68-T72 HydrophobicContact CD2-CG2 4.2Å; D69-T72 PolarHBondContact O-N 2.97Å; D69-T72 VanDerWaalsContact O-N 3.08Å; F70-T72 VanDerWaalsContact C-N 3.32Å; F70-T72 PolarHBondContact O-N 2.83Å; T72-Y101 HydrophobicContact CG2-CD1 4.46Å; T72-Y101 HydrophobicContact CG2-CE1 4.28Å; T72-M206 WeakPolarHBondContact OG1-CE 3.42Å; T72-L208 HydrophobicContact CG2-CD2 4.27Å; T72-L208 HydrophobicContact CG2-CG 4.04Å
73S98.6Very high97.2Very high0 Ų038 Ų380%019%0.191CC..EExtended strand (participates in β ladder)trans-89.5173.1171.764.20000112.5K25 R205 L208 H209 A210K25-S73 CarbonylContact O-C 3.56Å; K25-S73 WeakPolarHBondContact O-CA 3.2Å; K25-S73 WeakPolarHBondContact O-CB 3.47Å; S73-R205 PolarHBondContact OG-NH2 2.93Å; S73-L208 PolarHBondContact N-O 2.97Å; S73-L208 PolarHBondContact OG-O 2.88Å; S73-H209 CarbonylContact O-C 3.53Å; S73-H209 WeakPolarHBondContact O-CA 3.32Å; S73-H209 PolarHBondContact OG-ND1 2.97Å; S73-A210 PolarHBondContact O-N 2.95Å
74G98.4Very high97.2Very high0 Ų035 Ų350%018%0.18CC..EExtended strand (participates in β ladder)trans114.1-165164.200000115.3D24 K25 L76 H209 A210D24-G74 WeakPolarHBondContact OD1-CA 3.26Å; K25-G74 VanDerWaalsContact CB-O 3.31Å; K25-G74 WeakPolarHBondContact CB-O 3.44Å; K25-G74 PolarHBondContact N-O 2.8Å; K25-G74 PolarHBondContact O-N 3.02Å; G74-L76 PolarHBondContact O-N 2.77Å; G74-H209 WeakPolarHBondContact CA-CE1 3.35Å; G74-H209 WeakPolarHBondContact CA-ND1 3.41Å; G74-A210 CarbonylContact C-O 3.6Å; G74-A210 WeakPolarHBondContact CA-O 3.46Å
75A98.6Very high97.2Very high2 Ų234 Ų342%0.01718%0.18CC..EExtended strand (participates in β ladder)trans-57.5117.7-169.500000112.8L14 V22 V23 H66 A210 L213 V224L14-A75 HydrophobicContact CD1-CB 4.09Å; V22-A75 HydrophobicContact CG1-CB 4.1Å; V23-A75 WeakPolarHBondContact O-CA 3.28Å; H66-A75 PolarHBondContact CE1-O 3Å; A75-A210 PolarHBondContact N-O 3.25Å; A75-L213 HydrophobicContact CB-CB 4.06Å; A75-V224 HydrophobicContact CB-CG2 4.33Å
76L98.7Very high97.2Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-126117.9174.1-179.866.4000109.9V22 V23 K25 I31 V42 F64 H66 L68 G74V22-L76 WeakPolarHBondContact CA-O 3.41Å; V23-L76 HydrophobicContact CG2-CB 4.03Å; V23-L76 PolarHBondContact N-O 3.47Å; V23-L76 PolarHBondContact O-N 2.94Å; K25-L76 HydrophobicContact CB-CB 4.32Å; K25-L76 HydrophobicContact CD-CD2 4.21Å; I31-L76 HydrophobicContact CD1-CD1 3.94Å; I31-L76 HydrophobicContact CD1-CD2 3.94Å; I31-L76 HydrophobicContact CG1-CD2 3.84Å; I31-L76 HydrophobicContact CG2-CD2 4.26Å; V42-L76 HydrophobicContact CB-CD2 4.49Å; V42-L76 HydrophobicContact CG1-CD2 4.14Å; V42-L76 HydrophobicContact CG2-CD2 4.26Å; F64-L76 HydrophobicContact CD1-CD2 4Å; F64-L76 HydrophobicContact CD1-CG 4.38Å; F64-L76 HydrophobicContact CE1-CD2 4.11Å; H66-L76 WeakPolarHBondContact O-CD1 3.48Å; L68-L76 HydrophobicContact CD1-CB 4.2Å; L68-L76 HydrophobicContact CG-CD1 4.39Å; G74-L76 PolarHBondContact O-N 2.77Å
77C98.6Very high97.3Very high0 Ų036.2 Ų36.20%019%0.193CC..EExtended strand (participates in β ladder)trans-92.6133.4-178.4-179.30000112.4V22 C65 H66 L213 I215V22-C77 HydrophobicContact CG2-CB 4.13Å; C65-C77 HydrophobicContact CB-CB 4.39Å; C65-C77 WeakPolarHBondContact CB-O 3.47Å; C65-C77 PolarHBondContact N-O 2.72Å; H66-C77 PolarHBondContact NE2-N 3.36Å; H66-C77 VanDerWaalsContact NE2-N 3.16Å; C77-L213 HydrophobicContact CB-CD2 3.69Å; C77-I215 HydrophobicContact CB-CD1 4.13Å
78V98.5Very high97.4Very high0 Ų028.4 Ų28.40%016%0.156CC..EExtended strand (participates in β ladder)trans-123.2129.3177-174.80000108.7Y20 I21 L46 F62 F64Y20-V78 WeakPolarHBondContact CA-O 3.31Å; I21-V78 HydrophobicContact CG2-CB 3.73Å; I21-V78 HydrophobicContact CG2-CG1 4.33Å; I21-V78 HydrophobicContact CG2-CG2 4.43Å; I21-V78 PolarHBondContact N-O 3.23Å; I21-V78 PolarHBondContact O-N 3.28Å; L46-V78 HydrophobicContact CD1-CG2 3.96Å; F62-V78 HydrophobicContact CB-CG1 3.86Å; F62-V78 HydrophobicContact CD1-CG1 4.31Å; F62-V78 HydrophobicContact CG-CG1 4.48Å; F64-V78 HydrophobicContact CD1-CG2 3.54Å; F64-V78 HydrophobicContact CE1-CG2 3.66Å
79A98Very high97.4Very high2 Ų234.4 Ų34.42%0.01718%0.179CC..EExtended strand (participates in β ladder)trans-84.2136.7172.100000110.4D19 Y20 R63 A84 A85D19-A79 WeakPolarHBondContact O-CA 3.23Å; Y20-A79 HydrophobicContact CD1-CB 4.15Å; Y20-A79 HydrophobicContact CE1-CB 4.05Å; R63-A79 HydrophobicContact CB-CB 4.2Å; R63-A79 WeakPolarHBondContact CB-O 3.32Å; R63-A79 PolarHBondContact O-N 2.9Å; A79-A84 HydrophobicContact CB-CB 3.96Å; A79-A85 VanDerWaalsContact CB-CA 3.49Å; A79-A85 HydrophobicContact CB-CB 3.72Å; A79-A85 VanDerWaalsContact CB-N 3.34Å
80L97.1Very high97.4Very high28 Ų2839.1 Ų39.115%0.14719%0.193CC..SBendtrans-90.3-9.9-177.2-58.2-177.9000112.9S17 D19 I21 L53S17-L80 WeakPolarHBondContact O-CD1 3.48Å; D19-L80 PolarHBondContact O-N 3.44Å; I21-L80 HydrophobicContact CB-CD2 4.25Å; I21-L80 HydrophobicContact CG2-CD2 3.71Å; L53-L80 HydrophobicContact CB-CD2 4.25Å; L53-L80 HydrophobicContact CD1-CD1 4.27Å; L53-L80 HydrophobicContact CD1-CD2 3.91Å; L53-L80 HydrophobicContact CD2-CD1 4.24Å; L53-L80 HydrophobicContact CD2-CD2 4.48Å; L53-L80 HydrophobicContact CG-CD2 4.45Å
81N95.8Very high97.5Very high48 Ų4835.8 Ų35.826%0.25718%0.181SC..SBendtrans-149.1167.517565.270.6000112.2D19 A83 A84 A85D19-N81 PolarHBondContact OD1-ND2 2.79Å; N81-A83 VanDerWaalsContact C-N 3.34Å; N81-A83 PolarHBondContact O-N 2.73Å; N81-A83 WeakPolarHBondContact OD1-CB 3.47Å; N81-A83 PolarHBondContact OD1-N 2.81Å; N81-A83 VanDerWaalsContact OD1-N 3.11Å; N81-A84 PolarHBondContact O-N 3.34Å; N81-A84 WeakPolarHBondContact OD1-CB 3.31Å; N81-A84 PolarHBondContact OD1-N 3.25Å; N81-A85 PolarHBondContact O-N 2.9Å
82K96.3Very high97.3Very high165 Ų16536.6 Ų36.672%0.71718%0.18SC*.Hα-helixtrans-63.2-36.4-176.4-173178.4179.9-179.80113.1G86K82-G86 PolarHBondContact O-N 3.05Å
83A96.2Very high97.1Very high62 Ų6243 Ų4351%0.51221%0.208SC..Hα-helixtrans-68.8-45.5179.900000111N81 A85 G86 R87N81-A83 VanDerWaalsContact C-N 3.34Å; N81-A83 PolarHBondContact O-N 2.73Å; N81-A83 WeakPolarHBondContact OD1-CB 3.47Å; N81-A83 PolarHBondContact OD1-N 2.81Å; N81-A83 VanDerWaalsContact OD1-N 3.11Å; A83-A85 VanDerWaalsContact C-N 3.35Å; A83-A85 PolarHBondContact O-N 3.35Å; A83-G86 PolarHBondContact O-N 3.06Å; A83-R87 PolarHBondContact O-N 3.04Å
84A97.1Very high96.8Very high0 Ų047.2 Ų47.20%023%0.231CC..Hα-helixtrans-58.6-44.517400000112.1D19 Y20 A79 N81 G86 R87 A88D19-A84 HydrophobicContact CB-CB 3.82Å; D19-A84 VanDerWaalsContact O-CB 3.28Å; D19-A84 WeakPolarHBondContact O-CB 3.35Å; Y20-A84 HydrophobicContact CD1-CB 4.46Å; Y20-A84 HydrophobicContact CE1-CB 3.8Å; Y20-A84 HydrophobicContact CE2-CB 4.17Å; Y20-A84 VanDerWaalsContact OH-CA 3.31Å; Y20-A84 WeakPolarHBondContact OH-CA 3.09Å; Y20-A84 PolarHBondContact OH-O 2.65Å; A79-A84 HydrophobicContact CB-CB 3.96Å; N81-A84 PolarHBondContact O-N 3.34Å; N81-A84 WeakPolarHBondContact OD1-CB 3.31Å; N81-A84 PolarHBondContact OD1-N 3.25Å; A84-G86 VanDerWaalsContact C-N 3.32Å; A84-G86 PolarHBondContact O-N 3.41Å; A84-R87 PolarHBondContact O-N 2.81Å; A84-A88 PolarHBondContact O-N 3.21Å
85A97.3Very high96.5Very high23 Ų2354.1 Ų54.119%0.1926%0.257CS..Hα-helixtrans-60.1-42.8175.500000111.5R63 A79 N81 A83 A88 Y89R63-A85 HydrophobicContact CB-CB 4.13Å; A79-A85 VanDerWaalsContact CB-CA 3.49Å; A79-A85 HydrophobicContact CB-CB 3.72Å; A79-A85 VanDerWaalsContact CB-N 3.34Å; N81-A85 PolarHBondContact O-N 2.9Å; A83-A85 VanDerWaalsContact C-N 3.35Å; A83-A85 PolarHBondContact O-N 3.35Å; A85-A88 PolarHBondContact O-N 3Å; A85-Y89 WeakPolarHBondContact O-CB 3.4Å; A85-Y89 PolarHBondContact O-N 3.4Å
86G97.4Very high96.4Very high28 Ų2855.7 Ų55.729%0.28927%0.266SS..Hα-helixtrans-63.4-40.7176.400000113.5K82 A83 A84 R90K82-G86 PolarHBondContact O-N 3.05Å; A83-G86 PolarHBondContact O-N 3.06Å; A84-G86 VanDerWaalsContact C-N 3.32Å; A84-G86 PolarHBondContact O-N 3.41Å; G86-R90 WeakPolarHBondContact O-CG 3.49Å; G86-R90 PolarHBondContact O-N 3.29Å
87R97.8Very high96.3Very high64 Ų6456.8 Ų56.824%0.24227%0.273CS..Hα-helixtrans-64-50.8175.2-69.5-169.4-56.6-97.11.2111.5D19 A83 A84 Y89 R90 C91 L217D19-R87 IonicContact OD1-NH2 3.28Å; D19-R87 PolarHBondContact OD1-NH2 2.86Å; D19-R87 IonicContact OD2-CZ 3.18Å; D19-R87 IonicContact OD2-NH2 2.64Å; D19-R87 PolarHBondContact OD2-NH2 3.06Å; A83-R87 PolarHBondContact O-N 3.04Å; A84-R87 PolarHBondContact O-N 2.81Å; R87-Y89 PolarHBondContact O-N 3.15Å; R87-R90 PolarHBondContact O-N 2.98Å; R87-C91 PolarHBondContact O-N 3.4Å; R87-C91 PolarHBondContact O-SG 2.82Å; R87-C91 VanDerWaalsContact O-SG 3.41Å; R87-L217 HydrophobicContact CB-CD2 3.87Å
88A97.6Very high96.3Very high0 Ų057 Ų570%027%0.274CS..Hα-helixtrans-61.9-43.3179.300000111.8Y20 C65 A84 A85 R90 C91 F92Y20-A88 HydrophobicContact CE1-CB 3.96Å; C65-A88 HydrophobicContact CB-CB 4.05Å; C65-A88 VanDerWaalsContact SG-CB 3.58Å; A84-A88 PolarHBondContact O-N 3.21Å; A85-A88 PolarHBondContact O-N 3Å; A88-R90 VanDerWaalsContact C-N 3.28Å; A88-R90 PolarHBondContact O-N 3.22Å; A88-C91 WeakPolarHBondContact O-CB 3.38Å; A88-C91 PolarHBondContact O-N 3.14Å; A88-C91 VanDerWaalsContact O-N 3.09Å; A88-F92 VanDerWaalsContact O-CD2 3.28Å; A88-F92 WeakPolarHBondContact O-CD2 3.34Å; A88-F92 PolarHBondContact O-N 3.28Å
89Y96.8Very high96.3Very high143 Ų14358.7 Ų58.756%0.56128%0.282SS*.Hα-helixtrans-54.7-42.7176.2171-104.5000112.4A85 R87 F92 K93A85-Y89 WeakPolarHBondContact O-CB 3.4Å; A85-Y89 PolarHBondContact O-N 3.4Å; R87-Y89 PolarHBondContact O-N 3.15Å; Y89-F92 PolarHBondContact O-N 2.8Å; Y89-K93 HydrophobicContact CE1-CD 4.01Å; Y89-K93 VanDerWaalsContact O-CB 3.26Å; Y89-K93 WeakPolarHBondContact O-CB 3.15Å; Y89-K93 PolarHBondContact O-N 3.19Å
90R96.3Very high96.3Very high142 Ų14258.6 Ų58.654%0.53628%0.281SS..Hα-helixtrans-60.4-46.3175.9-73.5-173.9-68.3-1177.2111.7G86 R87 A88 F92 K93 D94G86-R90 WeakPolarHBondContact O-CG 3.49Å; G86-R90 PolarHBondContact O-N 3.29Å; R87-R90 PolarHBondContact O-N 2.98Å; A88-R90 VanDerWaalsContact C-N 3.28Å; A88-R90 PolarHBondContact O-N 3.22Å; R90-F92 VanDerWaalsContact C-N 3.33Å; R90-F92 PolarHBondContact O-N 2.84Å; R90-K93 PolarHBondContact O-N 3.3Å; R90-D94 VanDerWaalsContact O-CB 3.32Å; R90-D94 WeakPolarHBondContact O-CB 3.33Å; R90-D94 VanDerWaalsContact O-CG 3.29Å; R90-D94 PolarHBondContact O-N 2.9Å
91C96.5Very high96.4Very high14 Ų1458.2 Ų58.210%0.09528%0.277CS..Hα-helixtrans-59.5-42.5178.1-56.10000112.4R87 A88 R95 T96 V97 I215R87-C91 PolarHBondContact O-N 3.4Å; R87-C91 PolarHBondContact O-SG 2.82Å; R87-C91 VanDerWaalsContact O-SG 3.41Å; A88-C91 WeakPolarHBondContact O-CB 3.38Å; A88-C91 PolarHBondContact O-N 3.14Å; A88-C91 VanDerWaalsContact O-N 3.09Å; C91-R95 PolarHBondContact O-N 2.83Å; C91-T96 VanDerWaalsContact CA-OG1 3.31Å; C91-T96 WeakPolarHBondContact CA-OG1 3.48Å; C91-T96 WeakPolarHBondContact CB-OG1 3.42Å; C91-T96 PolarHBondContact O-N 3.33Å; C91-T96 PolarHBondContact O-OG1 3.04Å; C91-V97 HydrophobicContact CB-CG2 3.74Å; C91-I215 HydrophobicContact CB-CG2 3.73Å
92F94.6Very high96.5Very high44 Ų4455.9 Ų55.919%0.19327%0.265CS..Hα-helixtrans-67.6-43.5176.2-80.7-77.8000112.2C65 H66 A88 Y89 R90 R95 V97 L213 I215C65-F92 HydrophobicContact CB-CE2 4.03Å; H66-F92 HydrophobicContact CB-CD1 4.17Å; H66-F92 HydrophobicContact CB-CE1 3.57Å; H66-F92 HydrophobicContact CB-CE2 4.14Å; H66-F92 HydrophobicContact CB-CZ 3.57Å; H66-F92 AromaticContact CD2-CZ 3.44Å; H66-F92 VanDerWaalsContact CD2-CZ 3.44Å; H66-F92 WeakPolarHBondContact CD2-CZ 3.12Å; H66-F92 AromaticContact CG-CE1 3.93Å; H66-F92 AromaticContact CG-CZ 3.66Å; A88-F92 VanDerWaalsContact O-CD2 3.28Å; A88-F92 WeakPolarHBondContact O-CD2 3.34Å; A88-F92 PolarHBondContact O-N 3.28Å; Y89-F92 PolarHBondContact O-N 2.8Å; R90-F92 VanDerWaalsContact C-N 3.33Å; R90-F92 PolarHBondContact O-N 2.84Å; F92-R95 PolarHBondContact O-N 2.81Å; F92-V97 HydrophobicContact CD1-CB 4.27Å; F92-V97 HydrophobicContact CD1-CG1 4.4Å; F92-V97 HydrophobicContact CD1-CG2 3.9Å; F92-V97 HydrophobicContact CD2-CG2 4.02Å; F92-V97 HydrophobicContact CE1-CB 4.14Å; F92-V97 HydrophobicContact CE1-CG1 3.78Å; F92-V97 HydrophobicContact CE1-CG2 3.96Å; F92-V97 HydrophobicContact CE2-CG2 4.06Å; F92-V97 HydrophobicContact CG-CG2 3.92Å; F92-V97 HydrophobicContact CZ-CB 4.49Å; F92-V97 HydrophobicContact CZ-CG1 3.94Å; F92-V97 HydrophobicContact CZ-CG2 4.01Å; F92-L213 HydrophobicContact CZ-CD1 4.35Å; F92-I215 HydrophobicContact CE2-CD1 3.98Å; F92-I215 HydrophobicContact CZ-CD1 4.33Å
93K93.2Very high96.7Very high137 Ų13748 Ų4860%0.59623%0.231SC*.Hα-helixtrans-62-44.2178.7-175.9-175.1177.1-172.40111.7Y89 R90 R95Y89-K93 HydrophobicContact CE1-CD 4.01Å; Y89-K93 VanDerWaalsContact O-CB 3.26Å; Y89-K93 WeakPolarHBondContact O-CB 3.15Å; Y89-K93 PolarHBondContact O-N 3.19Å; R90-K93 PolarHBondContact O-N 3.3Å; K93-R95 PolarHBondContact O-N 3.42Å
94D92.6Very high96.8Very high89 Ų8945.1 Ų45.148%0.47621%0.207SC..THydrogen-bonded Turntrans-83.22.3-177.5-61.5-15.6000112.3R90 T96 R265R90-D94 VanDerWaalsContact O-CB 3.32Å; R90-D94 WeakPolarHBondContact O-CB 3.33Å; R90-D94 VanDerWaalsContact O-CG 3.29Å; R90-D94 PolarHBondContact O-N 2.9Å; D94-T96 VanDerWaalsContact C-N 3.3Å; D94-T96 HydrophobicContact CB-CG2 4.17Å; D94-T96 PolarHBondContact O-N 2.78Å; D94-R265 PolarHBondContact O-NH1 2.83Å
95R92.8Very high96.9Very high145 Ų14545.1 Ų45.155%0.54721%0.207SC..THydrogen-bonded Turntrans53.145.5178.9-52.3-178.4-173.9179.82.3112.2C91 F92 K93 R265C91-R95 PolarHBondContact O-N 2.83Å; F92-R95 PolarHBondContact O-N 2.81Å; K93-R95 PolarHBondContact O-N 3.42Å; R95-R265 PolarHBondContact O-NH1 2.7Å
96T94.7Very high96.9Very high36 Ų3645.9 Ų45.922%0.22121%0.205CC..  trans-99.5-13.1174.961.20000112.6C91 D94C91-T96 VanDerWaalsContact CA-OG1 3.31Å; C91-T96 WeakPolarHBondContact CA-OG1 3.48Å; C91-T96 WeakPolarHBondContact CB-OG1 3.42Å; C91-T96 PolarHBondContact O-N 3.33Å; C91-T96 PolarHBondContact O-OG1 3.04Å; D94-T96 VanDerWaalsContact C-N 3.3Å; D94-T96 HydrophobicContact CB-CG2 4.17Å; D94-T96 PolarHBondContact O-N 2.78Å
97V97.2Very high96.9Very high22 Ų2245.8 Ų45.813%0.13320%0.203CC..  trans-67.3132.4174.6179.50000110.5C91 F92 K99 L213 R214 I215C91-V97 HydrophobicContact CB-CG2 3.74Å; F92-V97 HydrophobicContact CD1-CB 4.27Å; F92-V97 HydrophobicContact CD1-CG1 4.4Å; F92-V97 HydrophobicContact CD1-CG2 3.9Å; F92-V97 HydrophobicContact CD2-CG2 4.02Å; F92-V97 HydrophobicContact CE1-CB 4.14Å; F92-V97 HydrophobicContact CE1-CG1 3.78Å; F92-V97 HydrophobicContact CE1-CG2 3.96Å; F92-V97 HydrophobicContact CE2-CG2 4.06Å; F92-V97 HydrophobicContact CG-CG2 3.92Å; F92-V97 HydrophobicContact CZ-CB 4.49Å; F92-V97 HydrophobicContact CZ-CG1 3.94Å; F92-V97 HydrophobicContact CZ-CG2 4.01Å; V97-K99 HydrophobicContact CG1-CD 4.45Å; V97-K99 HydrophobicContact CG1-CG 3.87Å; V97-L213 HydrophobicContact CG1-CD1 3.66Å; V97-R214 CarbonylContact C-O 3.53Å; V97-R214 WeakPolarHBondContact CA-O 3.37Å; V97-R214 VanDerWaalsContact CG1-O 3.27Å; V97-R214 WeakPolarHBondContact CG1-O 3.47Å; V97-I215 HydrophobicContact CG1-CG1 4.31Å; V97-I215 HydrophobicContact CG2-CG1 4.33Å; V97-I215 HydrophobicContact CG2-CG2 4.2Å
98T98.3Very high96.9Very high4 Ų449.3 Ų49.33%0.02522%0.217CC..EExtended strand (participates in β ladder)trans-97130.3170.2-32.10000108.8R214 V254 S258T98-R214 PolarHBondContact N-O 3.48Å; T98-R214 PolarHBondContact O-N 2.91Å; T98-V254 HydrophobicContact CG2-CG1 3.82Å; T98-S258 WeakPolarHBondContact OG1-CB 3.41Å; T98-S258 PolarHBondContact OG1-OG 3.24Å
99K98.4Very high96.9Very high37 Ų3749.4 Ų49.416%0.16122%0.217CC..EExtended strand (participates in β ladder)trans-130.8140.4174.9-58.2178-70.6167.70109.3V97 Y101 Q169 P170 L212 L213V97-K99 HydrophobicContact CG1-CD 4.45Å; V97-K99 HydrophobicContact CG1-CG 3.87Å; K99-Y101 HydrophobicContact CB-CE2 3.85Å; K99-Y101 HydrophobicContact CD-CE2 4.5Å; K99-Q169 WeakPolarHBondContact O-CG 3.38Å; K99-P170 HydrophobicContact CB-CG 4.42Å; K99-L212 VanDerWaalsContact CA-O 3.32Å; K99-L212 WeakPolarHBondContact CA-O 3.36Å; K99-L213 HydrophobicContact CG-CD1 4.08Å
100A98.7Very high96.6Very high0 Ų051 Ų510%023%0.23CC..EExtended strand (participates in β ladder)trans-136144.5167.500000110.4L167 L168 Y211 L212A100-L167 HydrophobicContact CB-CD1 4.05Å; A100-L167 HydrophobicContact CB-CD2 3.94Å; A100-L167 HydrophobicContact CB-CG 4.01Å; A100-L168 CarbonylContact C-O 3.48Å; A100-L168 WeakPolarHBondContact CA-O 3.34Å; A100-Y211 PolarHBondContact O-N 2.82Å; A100-L212 HydrophobicContact CB-CB 3.81Å; A100-L212 HydrophobicContact CB-CD2 4.08Å; A100-L212 PolarHBondContact N-O 2.98Å; A100-L212 PolarHBondContact O-N 3.46Å
101Y98.9Very high96.3Very high19 Ų1948.5 Ų48.58%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-122.3140.5-176.6-63.7-110.3000109L68 T72 K99 L167 L168 P170 L178 L208 H209 A210L68-Y101 HydrophobicContact CD2-CE1 3.98Å; T72-Y101 HydrophobicContact CG2-CD1 4.46Å; T72-Y101 HydrophobicContact CG2-CE1 4.28Å; K99-Y101 HydrophobicContact CB-CE2 3.85Å; K99-Y101 HydrophobicContact CD-CE2 4.5Å; Y101-L167 CarbonylContact O-C 3.57Å; Y101-L167 VanDerWaalsContact O-CA 3.32Å; Y101-L167 WeakPolarHBondContact O-CA 3.49Å; Y101-L168 PolarHBondContact N-O 2.73Å; Y101-L168 PolarHBondContact O-N 2.84Å; Y101-P170 HydrophobicContact CD2-CG 3.89Å; Y101-P170 HydrophobicContact CE2-CG 3.52Å; Y101-L178 HydrophobicContact CD1-CD1 3.83Å; Y101-L178 HydrophobicContact CD2-CD1 3.56Å; Y101-L178 HydrophobicContact CE1-CD1 4.26Å; Y101-L178 HydrophobicContact CE2-CD1 4.04Å; Y101-L178 HydrophobicContact CG-CD1 3.48Å; Y101-L178 VanDerWaalsContact CG-CD1 3.48Å; Y101-L208 HydrophobicContact CD1-CD1 4.14Å; Y101-L208 HydrophobicContact CD1-CG 4.37Å; Y101-L208 HydrophobicContact CG-CD1 4.38Å; Y101-H209 CarbonylContact C-O 3.34Å; Y101-H209 WeakPolarHBondContact CA-O 3.36Å; Y101-H209 WeakPolarHBondContact CB-O 3.47Å; Y101-A210 VanDerWaalsContact CD1-CA 3.44Å; Y101-A210 HydrophobicContact CD1-CB 3.8Å; Y101-A210 HydrophobicContact CE1-CB 3.48Å; Y101-A210 VanDerWaalsContact CE1-CB 3.48Å
102L98.9Very high96.1Very high0 Ų051.9 Ų51.90%024%0.242CC..EExtended strand (participates in β ladder)trans-88.2147.3164.9-69175.2000109.1L153 V166 H209 Y211 D228 F230 L247L102-L153 HydrophobicContact CD2-CD1 3.6Å; L102-V166 WeakPolarHBondContact CA-O 3.31Å; L102-H209 PolarHBondContact N-O 2.96Å; L102-H209 PolarHBondContact O-N 3.19Å; L102-Y211 HydrophobicContact CD1-CD2 3.58Å; L102-Y211 HydrophobicContact CD1-CE2 4.16Å; L102-Y211 HydrophobicContact CD1-CG 3.91Å; L102-Y211 HydrophobicContact CG-CD2 4.18Å; L102-Y211 HydrophobicContact CG-CG 3.98Å; L102-D228 HydrophobicContact CD1-CB 3.86Å; L102-D228 VanDerWaalsContact CD1-CG 3.49Å; L102-D228 WeakPolarHBondContact CD1-OD1 3.43Å; L102-F230 HydrophobicContact CB-CD2 3.85Å; L102-F230 HydrophobicContact CB-CE2 3.88Å; L102-F230 WeakPolarHBondContact O-CE2 3.39Å; L102-L247 HydrophobicContact CD1-CD2 3.9Å; L102-L247 HydrophobicContact CD2-CD1 3.71Å; L102-L247 HydrophobicContact CD2-CD2 4.31Å
103S98.9Very high96.2Very high0 Ų053.6 Ų53.60%026%0.256CS..EExtended strand (participates in β ladder)trans-151.3149.2173.2-167.10000112.3L105 K165 V166 M207S103-L105 WeakPolarHBondContact OG-CD2 3.48Å; S103-K165 WeakPolarHBondContact O-CA 3.34Å; S103-V166 PolarHBondContact N-O 3.37Å; S103-V166 PolarHBondContact O-N 3.3Å; S103-M207 WeakPolarHBondContact CA-O 3.44Å; S103-M207 WeakPolarHBondContact CB-O 3.29Å; S103-M207 PolarHBondContact OG-O 3.25Å
104L98.8Very high96.4Very high0 Ų051 Ų510%024%0.242CC..EExtended strand (participates in β ladder)trans-97.9125.7158.5-61.4179.7000108.3Y158 K165 V190 M207 F230 W238L104-Y158 HydrophobicContact CD1-CD2 3.81Å; L104-Y158 HydrophobicContact CD1-CE2 4.32Å; L104-K165 HydrophobicContact CD2-CB 3.69Å; L104-K165 HydrophobicContact CD2-CD 4.36Å; L104-K165 HydrophobicContact CD2-CG 3.9Å; L104-V190 HydrophobicContact CB-CB 4.18Å; L104-V190 HydrophobicContact CB-CG2 3.87Å; L104-V190 WeakPolarHBondContact O-CG2 3.24Å; L104-V190 PolarHBondContact O-N 3.18Å; L104-M207 HydrophobicContact CB-CB 3.85Å; L104-M207 HydrophobicContact CB-CG 4.27Å; L104-M207 HydrophobicContact CD1-CB 4.49Å; L104-M207 HydrophobicContact CD1-CG 4.21Å; L104-M207 HydrophobicContact CG-CB 4.29Å; L104-M207 PolarHBondContact N-O 3.42Å; L104-F230 HydrophobicContact CD1-CB 4.38Å; L104-F230 HydrophobicContact CD1-CG 4.5Å; L104-F230 HydrophobicContact CD2-CB 4.31Å; L104-F230 HydrophobicContact CG-CB 4.19Å; L104-F230 HydrophobicContact CG-CD2 4.49Å; L104-F230 HydrophobicContact CG-CG 4.17Å; L104-W238 HydrophobicContact CD1-CB 4.25Å; L104-W238 HydrophobicContact CD1-CD2 4.32Å; L104-W238 HydrophobicContact CD1-CE3 4.42Å; L104-W238 HydrophobicContact CD1-CG 4.25Å; L104-W238 HydrophobicContact CD2-CD2 4.06Å; L104-W238 HydrophobicContact CD2-CE3 4.13Å; L104-W238 HydrophobicContact CD2-CH2 4.46Å; L104-W238 HydrophobicContact CD2-CZ2 4.36Å; L104-W238 HydrophobicContact CD2-CZ3 4.37Å
105L98.7Very high96.6Very high0 Ų049.8 Ų49.80%024%0.238CC..EExtended strand (participates in β ladder)trans-110.4140.7178.3-54.8-173.2000110.4S103 V109 L150 V163 T164 V166 C182 H187 I189S103-L105 WeakPolarHBondContact OG-CD2 3.48Å; L105-V109 HydrophobicContact CD1-CG2 4.2Å; L105-L150 HydrophobicContact CD1-CD1 3.84Å; L105-V163 CarbonylContact O-C 3.58Å; L105-V163 WeakPolarHBondContact O-CA 3.45Å; L105-V163 WeakPolarHBondContact O-CB 3.33Å; L105-T164 PolarHBondContact N-O 3.35Å; L105-T164 PolarHBondContact O-N 3.41Å; L105-V166 HydrophobicContact CD1-CG1 3.95Å; L105-V166 HydrophobicContact CD1-CG2 3.78Å; L105-V166 HydrophobicContact CD2-CG2 4.34Å; L105-V166 HydrophobicContact CG-CG1 4.3Å; L105-V166 HydrophobicContact CG-CG2 3.78Å; L105-C182 HydrophobicContact CD2-CB 3.99Å; L105-H187 HydrophobicContact CB-CB 4.15Å; L105-H187 HydrophobicContact CD1-CB 4.28Å; L105-I189 HydrophobicContact CD2-CB 4.35Å; L105-I189 HydrophobicContact CD2-CG1 3.6Å
106R98.2Very high96.9Very high40 Ų4043 Ų4315%0.15121%0.212CC..EExtended strand (participates in β ladder)trans-63.7138.1174-67.2-69.4-175.9172.92.8111D161 H187 P188 V190 D200R106-D161 IonicContact CZ-OD2 3.19Å; R106-D161 IonicContact NH1-OD2 3.37Å; R106-D161 PolarHBondContact NH1-OD2 2.62Å; R106-H187 WeakPolarHBondContact O-CA 3.14Å; R106-H187 WeakPolarHBondContact O-CB 3.43Å; R106-H187 PolarHBondContact O-ND1 3.49Å; R106-P188 HydrophobicContact CB-CG 4.19Å; R106-P188 HydrophobicContact CG-CG 4.32Å; R106-P188 PolarHBondContact N-O 2.99Å; R106-V190 HydrophobicContact CG-CG2 4.06Å; R106-D200 IonicContact CZ-OD1 3.5Å; R106-D200 IonicContact CZ-OD2 2.78Å; R106-D200 IonicContact NE-OD1 2.68Å; R106-D200 IonicContact NE-OD2 2.79Å; R106-D200 PolarHBondContact NE-OD2 3.49Å; R106-D200 IonicContact NH2-OD1 3.74Å; R106-D200 PolarHBondContact NH2-OD1 2.91Å; R106-D200 IonicContact NH2-OD2 3.59Å; R106-D200 PolarHBondContact NH2-OD2 3.03Å
107G97.7Very high97Very high25 Ų2546.3 Ų46.326%0.25823%0.229SC..SBendtrans78.8176.4-177.800000114.2P162 V163 T164G107-P162 WeakPolarHBondContact CA-O 3.32Å; G107-P162 PolarHBondContact N-O 3.21Å; G107-V163 CarbonylContact O-C 3.54Å; G107-V163 WeakPolarHBondContact O-CA 3.38Å; G107-T164 PolarHBondContact O-N 3.22Å; G107-T164 PolarHBondContact O-OG1 3.05Å
108W97.4Very high96.9Very high139 Ų13948 Ų4853%0.52723%0.234SC..  trans-97.5114.9174.9-73.5-0.3000110.7E110 Y155 G156 P162 T164 H187W108-E110 PolarHBondContact O-N 3.33Å; W108-Y155 HydrophobicContact CB-CD1 4.15Å; W108-Y155 HydrophobicContact CB-CE1 4.24Å; W108-Y155 AromaticContact CD1-CD1 3.98Å; W108-Y155 HydrophobicContact CD2-CD1 4.43Å; W108-Y155 AromaticContact CG-CD1 3.94Å; W108-Y155 HydrophobicContact CG-CD1 3.94Å; W108-G156 PolarHBondContact NE1-O 2.99Å; W108-P162 HydrophobicContact CG-CB 4.44Å; W108-T164 VanDerWaalsContact CA-OG1 3.28Å; W108-T164 WeakPolarHBondContact CA-OG1 3.42Å; W108-H187 PolarHBondContact O-CE1 3.11Å
109V96.8Very high96.9Very high2 Ų248.2 Ų48.21%0.01224%0.237CC..  trans-75.6115.9176-176.60000108.8L105 L150 V152 Y155 T164 H187L105-V109 HydrophobicContact CD1-CG2 4.2Å; V109-L150 HydrophobicContact CG1-CD2 4.15Å; V109-V152 HydrophobicContact CB-CG2 4.05Å; V109-V152 HydrophobicContact CG1-CG2 4.16Å; V109-Y155 VanDerWaalsContact O-CE1 3.31Å; V109-Y155 WeakPolarHBondContact O-CE1 3.35Å; V109-Y155 PolarHBondContact O-OH 2.98Å; V109-T164 HydrophobicContact CB-CG2 4.17Å; V109-T164 HydrophobicContact CG2-CG2 4.14Å; V109-T164 PolarHBondContact N-OG1 3.19Å; V109-H187 HydrophobicContact CG2-CB 4.25Å
110E90.5Very high96.8Very high175 Ų17546.6 Ų46.682%0.81823%0.23SC*.SBendtrans-68.6-38.6-173.4-63.1179.7167.200113.6W108W108-E110 PolarHBondContact O-N 3.33Å
111N90.8Very high96.7Very high91 Ų9146.7 Ų46.749%0.48723%0.231SC..  trans-89.2117.3-178.1-67.3-62.5000110.8T113N111-T113 PolarHBondContact O-N 3.31Å
112E92.8Very high96.5Very high85 Ų8552.7 Ų52.740%0.39726%0.257SS..SBendtrans-64.2-26.2-175.5-49.2-171.3171.100113.9I151 V152 L244 R245E112-I151 CarbonylContact O-C 3.57Å; E112-I151 WeakPolarHBondContact O-CA 3.44Å; E112-V152 PolarHBondContact O-N 2.93Å; E112-L244 HydrophobicContact CB-CD1 4.13Å; E112-L244 HydrophobicContact CG-CD1 3.67Å; E112-R245 VanDerWaalsContact CB-NH2 3.3Å; E112-R245 IonicContact OE2-NH2 2.72Å; E112-R245 PolarHBondContact OE2-NH2 3.36Å
113T95.9Very high96.2Very high79 Ų7953.2 Ų53.249%0.48526%0.26SS..EExtended strand (participates in β ladder)trans-135.7133.7171.8-54.90000108.3N111 L150 I151 R245N111-T113 PolarHBondContact O-N 3.31Å; T113-L150 CarbonylContact C-O 3.6Å; T113-L150 VanDerWaalsContact CA-O 3.3Å; T113-L150 WeakPolarHBondContact CA-O 3.28Å; T113-I151 HydrophobicContact CG2-CG1 4.18Å; T113-R245 PolarHBondContact OG1-NH1 3.09Å
114R96.8Very high95.9Very high84 Ų8455.7 Ų55.732%0.31728%0.277SS..EExtended strand (participates in β ladder)trans-147.7130.5-178.6-171.3176.4178.4178.61.8111.5L116 L150R114-L116 HydrophobicContact CG-CD2 3.79Å; R114-L150 PolarHBondContact N-O 3.15Å; R114-L150 PolarHBondContact O-N 3.27Å
115T98Very high95.4Very high63 Ų6358.1 Ų58.139%0.38729%0.289SS..EExtended strand (participates in β ladder)trans-84.6129.3167-53.50000109.4Q147 E149T115-Q147 HydrophobicContact CG2-CG 3.9Å; T115-E149 WeakPolarHBondContact CA-OE2 3.27Å; T115-E149 WeakPolarHBondContact CB-OE2 3.47Å; T115-E149 WeakPolarHBondContact CG2-OE1 3.23Å; T115-E149 PolarHBondContact OG1-OE1 2.91Å; T115-E149 PolarHBondContact OG1-OE2 3.01Å
116L97.7Very high94.6Very high1 Ų167.2 Ų67.21%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-112.5108.9176.1-52.7-179.2000108.4R114 Q147 T148 L150 H181 I185R114-L116 HydrophobicContact CG-CD2 3.79Å; L116-Q147 CarbonylContact O-C 3.52Å; L116-Q147 VanDerWaalsContact O-CA 3.3Å; L116-Q147 WeakPolarHBondContact O-CA 3.49Å; L116-T148 PolarHBondContact N-O 2.89Å; L116-T148 PolarHBondContact O-N 3.46Å; L116-L150 HydrophobicContact CD1-CB 4.41Å; L116-L150 HydrophobicContact CD1-CD1 4.28Å; L116-H181 HydrophobicContact CB-CB 4.23Å; L116-H181 WeakPolarHBondContact CB-ND1 3.42Å; L116-H181 HydrophobicContact CD1-CB 3.83Å; L116-H181 PolarHBondContact O-CE1 3.25Å; L116-H181 VanDerWaalsContact O-CE1 3.24Å; L116-H181 PolarHBondContact O-ND1 2.79Å; L116-I185 HydrophobicContact CD1-CD1 4.12Å; L116-I185 HydrophobicContact CD2-CD1 4.25Å; L116-I185 HydrophobicContact CD2-CG2 3.56Å
117D97.3Very high93.7Very high106 Ų10668.1 Ų68.157%0.56735%0.353SS*.  trans-119.716.9-167.661.9-17.7000114.6A119 S146D117-A119 PolarHBondContact O-N 3.42Å; D117-S146 CarbonylContact C-O 3.54Å; D117-S146 VanDerWaalsContact CA-O 3.31Å; D117-S146 WeakPolarHBondContact CA-O 3.4Å
118F96Very high92.8Very high58 Ų5870.5 Ų70.525%0.25436%0.357SS..  trans-61.6129.1174.5-53-69.2000111.5I134 S146 H181 A184 I185F118-I134 HydrophobicContact CB-CB 4.06Å; F118-I134 HydrophobicContact CB-CG2 3.79Å; F118-I134 HydrophobicContact CD1-CD1 4.39Å; F118-I134 HydrophobicContact CG-CD1 4.49Å; F118-I134 HydrophobicContact CG-CG2 4.33Å; F118-S146 WeakPolarHBondContact O-CB 3.48Å; F118-H181 PolarHBondContact O-NE2 3.27Å; F118-H181 VanDerWaalsContact O-NE2 3.12Å; F118-A184 HydrophobicContact CD2-CB 4.39Å; F118-A184 HydrophobicContact CE2-CB 4.45Å; F118-I185 HydrophobicContact CE2-CG2 3.92Å
119A97.6Very high91.7Very high9 Ų968.8 Ų68.87%0.07436%0.362CS..  trans-66.3142.1170.600000111D117 I134 E135 P143 K144D117-A119 PolarHBondContact O-N 3.42Å; A119-I134 CarbonylContact O-C 3.32Å; A119-I134 WeakPolarHBondContact O-CA 3.4Å; A119-E135 HydrophobicContact CB-CB 4.19Å; A119-E135 HydrophobicContact CB-CG 4.26Å; A119-E135 PolarHBondContact N-OE1 3.11Å; A119-E135 PolarHBondContact O-N 3.49Å; A119-P143 HydrophobicContact CB-CB 3.86Å; A119-K144 CarbonylContact C-O 3.58Å; A119-K144 VanDerWaalsContact CA-O 3.29Å; A119-K144 WeakPolarHBondContact CA-O 3.43Å; A119-K144 WeakPolarHBondContact CB-O 3.46Å
120V97.4Very high90.9Very high3 Ų374.3 Ų74.32%0.01839%0.387CS..EExtended strand (participates in β ladder)trans-111.8125.8-175.9176.60000110.2M132 C133 K144 R174 V180 H181V120-M132 HydrophobicContact CG1-CB 3.87Å; V120-M132 HydrophobicContact CG1-CE 3.98Å; V120-C133 WeakPolarHBondContact CA-O 3.39Å; V120-K144 PolarHBondContact N-O 2.99Å; V120-K144 PolarHBondContact O-N 3.24Å; V120-R174 HydrophobicContact CB-CB 4.23Å; V120-R174 HydrophobicContact CB-CG 4.25Å; V120-R174 HydrophobicContact CG1-CB 4.25Å; V120-V180 HydrophobicContact CG2-CG1 4.4Å; V120-H181 WeakPolarHBondContact CG2-NE2 3.41Å
121G96.2Very high90.8Very high1 Ų166.8 Ų66.81%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-122.4175.6179.100000113M132 C133 E141G121-M132 WeakPolarHBondContact O-CA 3.31Å; G121-M132 VanDerWaalsContact O-CE 3.27Å; G121-M132 WeakPolarHBondContact O-CE 3.37Å; G121-C133 PolarHBondContact N-O 3.36Å; G121-C133 PolarHBondContact O-N 2.94Å; G121-E141 CarbonylContact C-O 3.59Å; G121-E141 VanDerWaalsContact CA-O 3.29Å; G121-E141 WeakPolarHBondContact CA-O 3.29Å
122K95Very high91Very high145 Ų14563.9 Ų63.963%0.6334%0.336SS*.EExtended strand (participates in β ladder)trans-79.3143172.4-69.6-175.1176.8-175.50109.4M132 C133 E141K122-M132 HydrophobicContact CG-CE 4.32Å; K122-M132 HydrophobicContact CG-SD 4.32Å; K122-C133 PolarHBondContact O-SG 3.25Å; K122-E141 PolarHBondContact N-O 3.28Å; K122-E141 PolarHBondContact O-N 3.12Å
123N92.6Very high91.1Very high12 Ų1260.3 Ų60.36%0.06432%0.32CS..EExtended strand (participates in β ladder)trans-87.7122.3171.5-165-31.3000109.5M125 K128 T129 M131 C133 G139N123-M125 VanDerWaalsContact OD1-CB 3.27Å; N123-M125 WeakPolarHBondContact OD1-CB 3.34Å; N123-M125 WeakPolarHBondContact OD1-CG 3.44Å; N123-M125 PolarHBondContact OD1-N 3.44Å; N123-K128 HydrophobicContact CB-CB 4.47Å; N123-T129 WeakPolarHBondContact O-CA 3.29Å; N123-M131 HydrophobicContact CB-CB 4.44Å; N123-M131 WeakPolarHBondContact CB-O 3.39Å; N123-M131 PolarHBondContact N-O 3.07Å; N123-C133 HydrophobicContact CB-CB 4.24Å; N123-G139 CarbonylContact C-O 3.59Å; N123-G139 WeakPolarHBondContact CA-O 3.42Å
124S91.6Very high91.1Very high51 Ų5158 Ų5836%0.35730%0.304SS..  trans-98.70.1177.160.20000114.1G139 E141S124-G139 PolarHBondContact N-O 2.93Å; S124-G139 PolarHBondContact OG-O 3.28Å; S124-G139 VanDerWaalsContact OG-O 3.12Å; S124-E141 VanDerWaalsContact CB-CD 3.48Å; S124-E141 WeakPolarHBondContact CB-OE1 3.33Å; S124-E141 PolarHBondContact OG-OE1 3.16Å
125M88.8Confident91Very high51 Ų5158.4 Ų58.425%0.25131%0.31SS..SBendtrans-64.3139.4173.9-66.2-166.9-79.300111.2N123 G127 K128 T129 E138N123-M125 VanDerWaalsContact OD1-CB 3.27Å; N123-M125 WeakPolarHBondContact OD1-CB 3.34Å; N123-M125 WeakPolarHBondContact OD1-CG 3.44Å; N123-M125 PolarHBondContact OD1-N 3.44Å; M125-G127 PolarHBondContact O-N 2.79Å; M125-K128 HydrophobicContact CB-CB 4.35Å; M125-K128 HydrophobicContact CB-CD 4.32Å; M125-K128 HydrophobicContact CE-CD 3.76Å; M125-K128 PolarHBondContact O-N 2.93Å; M125-T129 PolarHBondContact O-N 2.86Å; M125-E138 WeakPolarHBondContact CE-O 3.47Å; M125-E138 HydrophobicContact SD-CB 4.28Å; M125-E138 HydrophobicContact SD-CG 4.15Å
126E81.3Confident90.8Very high192 Ų19259.5 Ų59.590%0.89733%0.334SS*.THydrogen-bonded Turntrans-55.1137.6177.4-169.4171.7-171.400111.1K128E126-K128 PolarHBondContact O-N 2.81Å; E126-K128 VanDerWaalsContact O-N 3.13Å
127G79.1Confident90.6Very high59 Ų5962.3 Ų62.361%0.60835%0.351SS*.THydrogen-bonded Turntrans75.3-13.9-17500000115.5M125 H130M125-G127 PolarHBondContact O-N 2.79Å; G127-H130 PolarHBondContact O-CE1 3.47Å; G127-H130 PolarHBondContact O-ND1 2.93Å
128K79.8Confident90.4Very high74 Ų7464.8 Ų64.832%0.32236%0.359SS..  trans-1127.5-178.1-63.2177.6179.3174.70113.8N123 M125 E126 H130 M131N123-K128 HydrophobicContact CB-CB 4.47Å; M125-K128 HydrophobicContact CB-CB 4.35Å; M125-K128 HydrophobicContact CB-CD 4.32Å; M125-K128 HydrophobicContact CE-CD 3.76Å; M125-K128 PolarHBondContact O-N 2.93Å; E126-K128 PolarHBondContact O-N 2.81Å; E126-K128 VanDerWaalsContact O-N 3.13Å; K128-H130 PolarHBondContact O-N 3.19Å; K128-H130 VanDerWaalsContact O-N 3.09Å; K128-M131 HydrophobicContact CB-CG 4.41Å; K128-M131 HydrophobicContact CB-SD 3.99Å; K128-M131 HydrophobicContact CD-SD 4.46Å; K128-M131 HydrophobicContact CG-SD 3.92Å; K128-M131 WeakPolarHBondContact O-CA 3.14Å; K128-M131 WeakPolarHBondContact O-CB 3.46Å; K128-M131 PolarHBondContact O-N 2.99Å
129T73.1Confident90.2Very high103 Ų10363.1 Ų63.163%0.63236%0.358SS*.THydrogen-bonded Turntrans-63.1-18-176.756.50000115.2N123 M125 M131N123-T129 WeakPolarHBondContact O-CA 3.29Å; M125-T129 PolarHBondContact O-N 2.86Å; T129-M131 VanDerWaalsContact C-N 3.29Å
130H80.6Confident90.1Very high118 Ų11864 Ų6455%0.54636%0.364SS..THydrogen-bonded Turntrans-82.2-8.117266.3-85.3000113G127 K128G127-H130 PolarHBondContact O-CE1 3.47Å; G127-H130 PolarHBondContact O-ND1 2.93Å; K128-H130 PolarHBondContact O-N 3.19Å; K128-H130 VanDerWaalsContact O-N 3.09Å
131M88.6Confident90Very high18 Ų1869 Ų699%0.08939%0.387CS..SBendtrans-97.6153.5179-51.8179.565.100111.2N123 K128 T129 T194 Y195 L197N123-M131 HydrophobicContact CB-CB 4.44Å; N123-M131 WeakPolarHBondContact CB-O 3.39Å; N123-M131 PolarHBondContact N-O 3.07Å; K128-M131 HydrophobicContact CB-CG 4.41Å; K128-M131 HydrophobicContact CB-SD 3.99Å; K128-M131 HydrophobicContact CD-SD 4.46Å; K128-M131 HydrophobicContact CG-SD 3.92Å; K128-M131 WeakPolarHBondContact O-CA 3.14Å; K128-M131 WeakPolarHBondContact O-CB 3.46Å; K128-M131 PolarHBondContact O-N 2.99Å; T129-M131 VanDerWaalsContact C-N 3.29Å; M131-T194 HydrophobicContact CE-CG2 4.02Å; M131-T194 VanDerWaalsContact CE-O 3.24Å; M131-T194 WeakPolarHBondContact CE-O 3.43Å; M131-T194 HydrophobicContact CG-CG2 3.63Å; M131-T194 HydrophobicContact SD-CG2 4.2Å; M131-Y195 HydrophobicContact CE-CD1 3.86Å; M131-Y195 HydrophobicContact CE-CE1 3.93Å; M131-L197 HydrophobicContact CE-CD2 4.15Å
132M94.6Very high89.9Confident30 Ų3074.7 Ų74.715%0.14842%0.417CS..EExtended strand (participates in β ladder)trans-97.2159.5163.6-54.2-62.4-68.800109.3V120 G121 K122 T175 H176 V180 Y195V120-M132 HydrophobicContact CG1-CB 3.87Å; V120-M132 HydrophobicContact CG1-CE 3.98Å; G121-M132 WeakPolarHBondContact O-CA 3.31Å; G121-M132 VanDerWaalsContact O-CE 3.27Å; G121-M132 WeakPolarHBondContact O-CE 3.37Å; K122-M132 HydrophobicContact CG-CE 4.32Å; K122-M132 HydrophobicContact CG-SD 4.32Å; M132-T175 HydrophobicContact CG-CG2 4.02Å; M132-T175 WeakPolarHBondContact CG-O 3.18Å; M132-T175 HydrophobicContact SD-CG2 4.25Å; M132-H176 HydrophobicContact CB-CB 4.47Å; M132-H176 HydrophobicContact CG-CB 4.15Å; M132-V180 HydrophobicContact CB-CG2 3.71Å; M132-Y195 WeakPolarHBondContact CB-OH 3.33Å; M132-Y195 PolarHBondContact N-OH 3.3Å; M132-Y195 WeakPolarHBondContact O-CE1 3.21Å; M132-Y195 PolarHBondContact O-OH 3.37Å
133C94.7Very high90Very high10 Ų1070.5 Ų70.57%0.06840%0.404CS..EExtended strand (participates in β ladder)trans-141.7167178.653.90000110.9V120 G121 K122 N123 T137 C140V120-C133 WeakPolarHBondContact CA-O 3.39Å; G121-C133 PolarHBondContact N-O 3.36Å; G121-C133 PolarHBondContact O-N 2.94Å; K122-C133 PolarHBondContact O-SG 3.25Å; N123-C133 HydrophobicContact CB-CB 4.24Å; C133-T137 WeakPolarHBondContact CB-OG1 3.35Å; C133-C140 WeakPolarHBondContact SG-CA 3.45Å; C133-C140 WeakPolarHBondContact SG-CB 3.19Å
134I96.6Very high90.2Very high29 Ų2974.3 Ų74.315%0.14942%0.42CS..EExtended strand (participates in β ladder)trans-88.9157.1176.660.8165.9000111F118 A119 T137 C140 V180 A184F118-I134 HydrophobicContact CB-CB 4.06Å; F118-I134 HydrophobicContact CB-CG2 3.79Å; F118-I134 HydrophobicContact CD1-CD1 4.39Å; F118-I134 HydrophobicContact CG-CD1 4.49Å; F118-I134 HydrophobicContact CG-CG2 4.33Å; A119-I134 CarbonylContact O-C 3.32Å; A119-I134 WeakPolarHBondContact O-CA 3.4Å; I134-T137 HydrophobicContact CD1-CG2 4.29Å; I134-T137 HydrophobicContact CG1-CG2 3.62Å; I134-T137 PolarHBondContact O-N 2.93Å; I134-T137 PolarHBondContact O-OG1 2.96Å; I134-C140 WeakPolarHBondContact O-CB 3.09Å; I134-C140 PolarHBondContact O-SG 3.37Å; I134-V180 HydrophobicContact CG2-CG1 3.45Å; I134-V180 VanDerWaalsContact CG2-CG1 3.45Å; I134-A184 HydrophobicContact CD1-CB 3.87Å; I134-A184 HydrophobicContact CG2-CB 3.88Å
135E95.3Very high90.5Very high94 Ų9476.9 Ų76.944%0.43944%0.436SS..THydrogen-bonded Turntrans-52.9145.317069.7-169.8141.700112.2A119 T137 P143A119-E135 HydrophobicContact CB-CB 4.19Å; A119-E135 HydrophobicContact CB-CG 4.26Å; A119-E135 PolarHBondContact N-OE1 3.11Å; A119-E135 PolarHBondContact O-N 3.49Å; E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 2.94Å; E135-P143 HydrophobicContact CB-CB 4.05Å; E135-P143 HydrophobicContact CB-CG 4.39Å
136G93.4Very high90.8Very high86 Ų8674.8 Ų74.889%0.88743%0.426SS*.THydrogen-bonded Turntrans83.7-14.6-17900000115.4
137T94Very high91.6Very high59 Ų5969.1 Ų69.136%0.36240%0.4SS..SBendtrans-79.5149.6171.262.50000111.6C133 I134 E135 G139 C140C133-T137 WeakPolarHBondContact CB-OG1 3.35Å; I134-T137 HydrophobicContact CD1-CG2 4.29Å; I134-T137 HydrophobicContact CG1-CG2 3.62Å; I134-T137 PolarHBondContact O-N 2.93Å; I134-T137 PolarHBondContact O-OG1 2.96Å; E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 2.94Å; T137-G139 PolarHBondContact O-N 2.87Å; T137-C140 VanDerWaalsContact O-CB 3.25Å; T137-C140 WeakPolarHBondContact O-CB 3.24Å; T137-C140 PolarHBondContact O-N 3.24Å; T137-C140 VanDerWaalsContact O-N 3.17Å
138E92.8Very high92.6Very high159 Ų15966.3 Ų66.374%0.74337%0.371SS*.THydrogen-bonded Turntrans-53.7136.1174.3-171.5175.1-169.700111.9M125 C140M125-E138 WeakPolarHBondContact CE-O 3.47Å; M125-E138 HydrophobicContact SD-CB 4.28Å; M125-E138 HydrophobicContact SD-CG 4.15Å; E138-C140 VanDerWaalsContact C-N 3.27Å; E138-C140 PolarHBondContact O-N 2.96Å
139G90.8Very high93.5Very high22 Ų2264.5 Ų64.523%0.22736%0.364CS..THydrogen-bonded Turntrans71.611.7-178.900000115.3N123 S124 T137 E141N123-G139 CarbonylContact C-O 3.59Å; N123-G139 WeakPolarHBondContact CA-O 3.42Å; S124-G139 PolarHBondContact N-O 2.93Å; S124-G139 PolarHBondContact OG-O 3.28Å; S124-G139 VanDerWaalsContact OG-O 3.12Å; T137-G139 PolarHBondContact O-N 2.87Å; G139-E141 PolarHBondContact O-N 3.12Å
140C95.8Very high94.7Very high29 Ų2959.6 Ų59.620%0.19633%0.333CS..EExtended strand (participates in β ladder)trans-78.2112.5176.2-175.60000112.3C133 I134 T137 E138C133-C140 WeakPolarHBondContact SG-CA 3.45Å; C133-C140 WeakPolarHBondContact SG-CB 3.19Å; I134-C140 WeakPolarHBondContact O-CB 3.09Å; I134-C140 PolarHBondContact O-SG 3.37Å; T137-C140 VanDerWaalsContact O-CB 3.25Å; T137-C140 WeakPolarHBondContact O-CB 3.24Å; T137-C140 PolarHBondContact O-N 3.24Å; T137-C140 VanDerWaalsContact O-N 3.17Å; E138-C140 VanDerWaalsContact C-N 3.27Å; E138-C140 PolarHBondContact O-N 2.96Å
141E95.4Very high95.5Very high107 Ų10754.9 Ų54.950%0.531%0.312SS..EExtended strand (participates in β ladder)trans-109.2138.9-179.6-69.3-178-173.500112.9G121 K122 S124 G139G121-E141 CarbonylContact C-O 3.59Å; G121-E141 VanDerWaalsContact CA-O 3.29Å; G121-E141 WeakPolarHBondContact CA-O 3.29Å; K122-E141 PolarHBondContact N-O 3.28Å; K122-E141 PolarHBondContact O-N 3.12Å; S124-E141 VanDerWaalsContact CB-CD 3.48Å; S124-E141 WeakPolarHBondContact CB-OE1 3.33Å; S124-E141 PolarHBondContact OG-OE1 3.16Å; G139-E141 PolarHBondContact O-N 3.12Å
142N94.4Very high96Very high121 Ų12154 Ų5465%0.64731%0.308SS*.EExtended strand (participates in β ladder)trans49.154.6175.6-168.815.9000113.4K144N142-K144 PolarHBondContact O-N 3.19Å
143P96.8Very high96.2Very high56 Ų5652.8 Ų52.836%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-62.2135.5179.328.7-34.9000110.1A119 E135A119-P143 HydrophobicContact CB-CB 3.86Å; E135-P143 HydrophobicContact CB-CB 4.05Å; E135-P143 HydrophobicContact CB-CG 4.39Å
144K96.5Very high96.4Very high92 Ų9254.2 Ų54.240%0.431%0.308SS..EExtended strand (participates in β ladder)trans-115.9140178.9-68.9-179.2-177177.70110.1A119 V120 N142 S146A119-K144 CarbonylContact C-O 3.58Å; A119-K144 VanDerWaalsContact CA-O 3.29Å; A119-K144 WeakPolarHBondContact CA-O 3.43Å; A119-K144 WeakPolarHBondContact CB-O 3.46Å; V120-K144 PolarHBondContact N-O 2.99Å; V120-K144 PolarHBondContact O-N 3.24Å; N142-K144 PolarHBondContact O-N 3.19Å; K144-S146 PolarHBondContact O-N 2.92Å; K144-S146 PolarHBondContact O-OG 3.4Å
145P97.5Very high96.5Very high106 Ų10653.9 Ų53.969%0.68831%0.305SS*.  trans-50.9127.7177.9-28.134.5000111.2
146S96.9Very high96.6Very high6 Ų649.4 Ų49.44%0.04228%0.284CS..  trans-139.4139.2-176.6-55.10000109.6D117 F118 K144 T172 R174D117-S146 CarbonylContact C-O 3.54Å; D117-S146 VanDerWaalsContact CA-O 3.31Å; D117-S146 WeakPolarHBondContact CA-O 3.4Å; F118-S146 WeakPolarHBondContact O-CB 3.48Å; K144-S146 PolarHBondContact O-N 2.92Å; K144-S146 PolarHBondContact O-OG 3.4Å; S146-T172 VanDerWaalsContact CA-OG1 3.24Å; S146-T172 WeakPolarHBondContact CA-OG1 3.47Å; S146-R174 WeakPolarHBondContact OG-CG 3.43Å
147Q98.1Very high96.9Very high74 Ų7446.7 Ų46.735%0.34625%0.25SC..  trans-141.6133.3-178.8-169.6176.245.600110.7T115 L116 L171 T172 Q177T115-Q147 HydrophobicContact CG2-CG 3.9Å; L116-Q147 CarbonylContact O-C 3.52Å; L116-Q147 VanDerWaalsContact O-CA 3.3Å; L116-Q147 WeakPolarHBondContact O-CA 3.49Å; Q147-L171 HydrophobicContact CB-CB 4.26Å; Q147-L171 HydrophobicContact CG-CD1 4.09Å; Q147-L171 PolarHBondContact O-N 2.84Å; Q147-L171 VanDerWaalsContact OE1-CD1 3.24Å; Q147-T172 PolarHBondContact N-OG1 2.83Å; Q147-T172 PolarHBondContact O-N 2.95Å; Q147-T172 PolarHBondContact O-OG1 2.87Å; Q147-Q177 PolarHBondContact O-NE2 2.92Å
148T98.6Very high97.1Very high0 Ų043.9 Ų43.90%023%0.232CC..EExtended strand (participates in β ladder)trans-134.1126.3177-57.50000108.6L116 L168 Q177 L178 H181L116-T148 PolarHBondContact N-O 2.89Å; L116-T148 PolarHBondContact O-N 3.46Å; T148-L168 HydrophobicContact CG2-CB 4.28Å; T148-L168 HydrophobicContact CG2-CD2 4.17Å; T148-Q177 PolarHBondContact OG1-NE2 3.38Å; T148-L178 HydrophobicContact CG2-CD2 3.39Å; T148-H181 PolarHBondContact OG1-ND1 3.48Å
149E98.4Very high97.2Very high35 Ų3540.2 Ų40.216%0.16422%0.218CC..EExtended strand (participates in β ladder)trans-86.6127165.8-54.5-57.6150.200109T115 L168 Q169 L171T115-E149 WeakPolarHBondContact CA-OE2 3.27Å; T115-E149 WeakPolarHBondContact CB-OE2 3.47Å; T115-E149 WeakPolarHBondContact CG2-OE1 3.23Å; T115-E149 PolarHBondContact OG1-OE1 2.91Å; T115-E149 PolarHBondContact OG1-OE2 3.01Å; E149-L168 CarbonylContact O-C 3.55Å; E149-L168 WeakPolarHBondContact O-CA 3.49Å; E149-Q169 HydrophobicContact CB-CB 4.22Å; E149-Q169 PolarHBondContact N-O 3.27Å; E149-Q169 PolarHBondContact O-N 3.18Å; E149-L171 HydrophobicContact CG-CD1 4.03Å; E149-L171 HydrophobicContact CG-CG 4.39Å
150L98.6Very high97.5Very high0 Ų042.1 Ų42.10%024%0.237CC..EExtended strand (participates in β ladder)trans-106.8131.3174.1-179.2158.4000108.8L105 V109 T113 R114 L116 V152 V166 L168 I185L105-L150 HydrophobicContact CD1-CD1 3.84Å; V109-L150 HydrophobicContact CG1-CD2 4.15Å; T113-L150 CarbonylContact C-O 3.6Å; T113-L150 VanDerWaalsContact CA-O 3.3Å; T113-L150 WeakPolarHBondContact CA-O 3.28Å; R114-L150 PolarHBondContact N-O 3.15Å; R114-L150 PolarHBondContact O-N 3.27Å; L116-L150 HydrophobicContact CD1-CB 4.41Å; L116-L150 HydrophobicContact CD1-CD1 4.28Å; L150-V152 HydrophobicContact CD2-CG2 3.99Å; L150-V166 HydrophobicContact CD2-CG1 4.05Å; L150-V166 HydrophobicContact CG-CB 4.34Å; L150-V166 HydrophobicContact CG-CG1 4.25Å; L150-L168 HydrophobicContact CB-CD2 3.81Å; L150-L168 HydrophobicContact CD1-CD2 3.85Å; L150-L168 HydrophobicContact CG-CD2 3.73Å; L150-I185 HydrophobicContact CD1-CD1 3.97Å
151I98.6Very high97.6Very high20 Ų2044.7 Ų44.710%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-128.4120.2177.4-68.4164.7000108.6E112 T113 L153 V166 L167 T250 V254E112-I151 CarbonylContact O-C 3.57Å; E112-I151 WeakPolarHBondContact O-CA 3.44Å; T113-I151 HydrophobicContact CG2-CG1 4.18Å; I151-L153 HydrophobicContact CG2-CD2 4.38Å; I151-V166 CarbonylContact O-C 3.55Å; I151-V166 WeakPolarHBondContact O-CA 3.22Å; I151-V166 WeakPolarHBondContact O-CB 3.3Å; I151-L167 HydrophobicContact CB-CB 4.43Å; I151-L167 HydrophobicContact CD1-CD2 4.15Å; I151-L167 PolarHBondContact N-O 3.26Å; I151-L167 PolarHBondContact O-N 3.24Å; I151-T250 HydrophobicContact CB-CG2 4.3Å; I151-T250 HydrophobicContact CD1-CG2 3.94Å; I151-T250 HydrophobicContact CG2-CG2 3.62Å; I151-V254 HydrophobicContact CD1-CG2 4.42Å
152V98.6Very high97.7Very high0 Ų042.7 Ų42.70%025%0.245CC..EExtended strand (participates in β ladder)trans-74130.71751800000110.2V109 E112 L150 Y155 T164 V166 L244 R245V109-V152 HydrophobicContact CB-CG2 4.05Å; V109-V152 HydrophobicContact CG1-CG2 4.16Å; E112-V152 PolarHBondContact O-N 2.93Å; L150-V152 HydrophobicContact CD2-CG2 3.99Å; V152-Y155 HydrophobicContact CG1-CE1 3.96Å; V152-Y155 HydrophobicContact CG1-CE2 4.15Å; V152-T164 HydrophobicContact CB-CG2 4.24Å; V152-T164 HydrophobicContact CG1-CG2 3.45Å; V152-T164 VanDerWaalsContact CG1-CG2 3.45Å; V152-T164 HydrophobicContact CG2-CG2 3.93Å; V152-V166 HydrophobicContact CG2-CG1 4.3Å; V152-L244 HydrophobicContact CB-CD1 4.06Å; V152-L244 HydrophobicContact CG1-CD1 3.67Å; V152-L244 HydrophobicContact CG1-CG 4.5Å; V152-R245 VanDerWaalsContact O-CD 3.23Å; V152-R245 WeakPolarHBondContact O-CD 3.48Å; V152-R245 WeakPolarHBondContact O-CG 3.41Å; V152-R245 PolarHBondContact O-NE 3.17Å
153L98.5Very high97.9Very high3 Ų336.9 Ų36.92%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-102.5-54.1176.3-58.2178.2000110.8L102 I151 K165 L167 L244 R245 L247 T250L102-L153 HydrophobicContact CD2-CD1 3.6Å; I151-L153 HydrophobicContact CG2-CD2 4.38Å; L153-K165 WeakPolarHBondContact CB-O 3.32Å; L153-K165 HydrophobicContact CD1-CG 4.4Å; L153-K165 PolarHBondContact N-O 3.22Å; L153-L167 HydrophobicContact CD1-CB 4.17Å; L153-L167 HydrophobicContact CD2-CB 4.26Å; L153-L167 HydrophobicContact CG-CB 4.31Å; L153-L244 PolarHBondContact O-N 3.29Å; L153-R245 HydrophobicContact CD2-CG 3.87Å; L153-R245 PolarHBondContact O-N 2.93Å; L153-L247 HydrophobicContact CD1-CD1 4.04Å; L153-T250 HydrophobicContact CD2-CG2 4.07Å; L153-T250 WeakPolarHBondContact CD2-OG1 3.46Å
154E98.4Very high98Very high41 Ų4134.2 Ų34.219%0.19220%0.197CC..EExtended strand (participates in β ladder)trans-145148.7-172.9-51.7-178.288.400110.8T164 K165 W238 R242E154-T164 CarbonylContact O-C 3.45Å; E154-K165 HydrophobicContact CB-CB 4.1Å; E154-K165 PolarHBondContact N-O 3.29Å; E154-K165 PolarHBondContact O-N 3.48Å; E154-K165 VanDerWaalsContact OE2-CD 3.27Å; E154-K165 WeakPolarHBondContact OE2-CD 3.29Å; E154-K165 IonicContact OE2-NZ 2.94Å; E154-K165 PolarHBondContact OE2-NZ 2.82Å; E154-W238 HydrophobicContact CB-CH2 4.49Å; E154-W238 HydrophobicContact CB-CZ2 4.19Å; E154-R242 CarbonylContact C-O 3.49Å; E154-R242 VanDerWaalsContact CA-O 3.26Å; E154-R242 WeakPolarHBondContact CA-O 3.44Å
155Y98.6Very high98.1Very high22 Ų2230.1 Ų30.19%0.08618%0.18CC..EExtended strand (participates in β ladder)trans-105.8147.8164.8-59-75.2000109.7W108 V109 V152 T164 Q241 R242 L244W108-Y155 HydrophobicContact CB-CD1 4.15Å; W108-Y155 HydrophobicContact CB-CE1 4.24Å; W108-Y155 AromaticContact CD1-CD1 3.98Å; W108-Y155 HydrophobicContact CD2-CD1 4.43Å; W108-Y155 AromaticContact CG-CD1 3.94Å; W108-Y155 HydrophobicContact CG-CD1 3.94Å; V109-Y155 VanDerWaalsContact O-CE1 3.31Å; V109-Y155 WeakPolarHBondContact O-CE1 3.35Å; V109-Y155 PolarHBondContact O-OH 2.98Å; V152-Y155 HydrophobicContact CG1-CE1 3.96Å; V152-Y155 HydrophobicContact CG1-CE2 4.15Å; Y155-T164 HydrophobicContact CD1-CG2 3.9Å; Y155-T164 HydrophobicContact CE1-CG2 3.8Å; Y155-Q241 PolarHBondContact O-N 3.23Å; Y155-R242 HydrophobicContact CD2-CB 4.45Å; Y155-R242 HydrophobicContact CD2-CG 4.39Å; Y155-R242 PolarHBondContact N-O 3.23Å; Y155-R242 PolarHBondContact O-N 2.87Å; Y155-L244 HydrophobicContact CD2-CD1 4.48Å; Y155-L244 HydrophobicContact CD2-CG 4.33Å; Y155-L244 HydrophobicContact CE2-CD1 3.63Å; Y155-L244 HydrophobicContact CE2-CD2 4.09Å; Y155-L244 HydrophobicContact CE2-CG 3.89Å
156G98.4Very high98.2Very high0 Ų025.1 Ų25.10%015%0.147CC..EExtended strand (participates in β ladder)trans-173.7-150.617400000111.5W108 V163 V239W108-G156 PolarHBondContact NE1-O 2.99Å; G156-V163 PolarHBondContact N-O 2.78Å; G156-V163 PolarHBondContact O-N 3.45Å; G156-V163 VanDerWaalsContact O-O 3.11Å; G156-V239 VanDerWaalsContact CA-O 3.28Å; G156-V239 WeakPolarHBondContact CA-O 3.42Å
157V98.6Very high98.3Very high28 Ų2824.8 Ų24.817%0.1715%0.145CC..EExtended strand (participates in β ladder)trans-129.4148.3176.2-62.40000111.4D161 W238 V239V157-D161 CarbonylContact C-O 3.15Å; V157-D161 WeakPolarHBondContact CA-O 3.26Å; V157-D161 WeakPolarHBondContact CB-O 3.27Å; V157-W238 VanDerWaalsContact O-CE3 3.23Å; V157-V239 HydrophobicContact CG2-CB 3.83Å; V157-V239 HydrophobicContact CG2-CG2 4.42Å; V157-V239 PolarHBondContact N-O 3.44Å; V157-V239 PolarHBondContact O-N 3.23Å
158Y98.3Very high98.3Very high0 Ų021.3 Ų21.30%013%0.128CC..EExtended strand (participates in β ladder)trans-123.5117169.8-174.2-86.3000108.9L104 G160 D161 V190 P203 M207 D235 K237 W238L104-Y158 HydrophobicContact CD1-CD2 3.81Å; L104-Y158 HydrophobicContact CD1-CE2 4.32Å; Y158-G160 PolarHBondContact O-N 2.93Å; Y158-D161 PolarHBondContact N-O 3.14Å; Y158-D161 PolarHBondContact O-N 3Å; Y158-D161 VanDerWaalsContact O-N 3.07Å; Y158-V190 HydrophobicContact CD1-CG1 3.73Å; Y158-V190 HydrophobicContact CE1-CG1 3.86Å; Y158-V190 HydrophobicContact CG-CG1 4.1Å; Y158-P203 HydrophobicContact CE1-CB 3.92Å; Y158-P203 HydrophobicContact CE1-CG 3.84Å; Y158-M207 HydrophobicContact CE2-CE 3.53Å; Y158-M207 WeakPolarHBondContact OH-CE 3.46Å; Y158-D235 WeakPolarHBondContact CE2-OD2 3.26Å; Y158-D235 PolarHBondContact OH-OD2 3.26Å; Y158-K237 VanDerWaalsContact CA-O 3.31Å; Y158-K237 WeakPolarHBondContact CA-O 3.27Å; Y158-K237 HydrophobicContact CD2-CB 4.16Å; Y158-K237 HydrophobicContact CE1-CB 4.35Å; Y158-K237 HydrophobicContact CE1-CD 4.2Å; Y158-K237 HydrophobicContact CE2-CB 3.81Å; Y158-W238 HydrophobicContact CD2-CB 4.13Å
159D96.1Very high98.3Very high83 Ų8322 Ų2244%0.44413%0.131SC..THydrogen-bonded Turntrans54.733.7-177-143.45.3000113.2K237D159-K237 HydrophobicContact CB-CD 4.27Å; D159-K237 PolarHBondContact N-O 3.22Å; D159-K237 VanDerWaalsContact N-O 3.08Å; D159-K237 IonicContact OD1-NZ 2.9Å; D159-K237 IonicContact OD2-NZ 3.78Å; D159-K237 PolarHBondContact OD2-NZ 2.81Å
160G96.8Very high98.3Very high61 Ų6120.9 Ų20.963%0.62913%0.128SC*.THydrogen-bonded Turntrans90.9-16.5-17900000115.3Y158Y158-G160 PolarHBondContact O-N 2.93Å
161D97.6Very high98.2Very high83 Ų8323.1 Ų23.144%0.44414%0.139SC..EExtended strand (participates in β ladder)trans-89.7144.6179.9-65.2-45000112.3R106 V157 Y158 V163R106-D161 IonicContact CZ-OD2 3.19Å; R106-D161 IonicContact NH1-OD2 3.37Å; R106-D161 PolarHBondContact NH1-OD2 2.62Å; V157-D161 CarbonylContact C-O 3.15Å; V157-D161 WeakPolarHBondContact CA-O 3.26Å; V157-D161 WeakPolarHBondContact CB-O 3.27Å; Y158-D161 PolarHBondContact N-O 3.14Å; Y158-D161 PolarHBondContact O-N 3Å; Y158-D161 VanDerWaalsContact O-N 3.07Å; D161-V163 PolarHBondContact O-N 3Å
162P98.4Very high98Very high65 Ų6522.9 Ų22.942%0.42214%0.139SC..EExtended strand (participates in β ladder)trans-58.8131.7174.1-2232.7000112.1G107 W108G107-P162 WeakPolarHBondContact CA-O 3.32Å; G107-P162 PolarHBondContact N-O 3.21Å; W108-P162 HydrophobicContact CG-CB 4.44Å
163V98.6Very high97.7Very high0 Ų025 Ų250%016%0.16CC..EExtended strand (participates in β ladder)trans-140.5160.5172.6-560000111.9L105 G107 G156 D161 V190 W238L105-V163 CarbonylContact O-C 3.58Å; L105-V163 WeakPolarHBondContact O-CA 3.45Å; L105-V163 WeakPolarHBondContact O-CB 3.33Å; G107-V163 CarbonylContact O-C 3.54Å; G107-V163 WeakPolarHBondContact O-CA 3.38Å; G156-V163 PolarHBondContact N-O 2.78Å; G156-V163 PolarHBondContact O-N 3.45Å; G156-V163 VanDerWaalsContact O-O 3.11Å; D161-V163 PolarHBondContact O-N 3Å; V163-V190 HydrophobicContact CB-CG2 4.44Å; V163-V190 HydrophobicContact CG1-CG2 3.75Å; V163-W238 HydrophobicContact CG2-CE3 3.61Å; V163-W238 HydrophobicContact CG2-CH2 4.3Å; V163-W238 HydrophobicContact CG2-CZ3 3.26Å
164T98.8Very high97.6Very high0 Ų028.9 Ų28.90%018%0.175CC..EExtended strand (participates in β ladder)trans-119.4125.2175.1-51.10000110L105 G107 W108 V109 V152 E154 Y155 V166L105-T164 PolarHBondContact N-O 3.35Å; L105-T164 PolarHBondContact O-N 3.41Å; G107-T164 PolarHBondContact O-N 3.22Å; G107-T164 PolarHBondContact O-OG1 3.05Å; W108-T164 VanDerWaalsContact CA-OG1 3.28Å; W108-T164 WeakPolarHBondContact CA-OG1 3.42Å; V109-T164 HydrophobicContact CB-CG2 4.17Å; V109-T164 HydrophobicContact CG2-CG2 4.14Å; V109-T164 PolarHBondContact N-OG1 3.19Å; V152-T164 HydrophobicContact CB-CG2 4.24Å; V152-T164 HydrophobicContact CG1-CG2 3.45Å; V152-T164 VanDerWaalsContact CG1-CG2 3.45Å; V152-T164 HydrophobicContact CG2-CG2 3.93Å; E154-T164 CarbonylContact O-C 3.45Å; Y155-T164 HydrophobicContact CD1-CG2 3.9Å; Y155-T164 HydrophobicContact CE1-CG2 3.8Å; T164-V166 HydrophobicContact CG2-CG1 3.72Å
165K98.8Very high97.4Very high6 Ų630.9 Ų30.93%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-82.8126.5167.7-170.5175.8173.5179.50109.4S103 L104 L153 E154 D228 F230 W238S103-K165 WeakPolarHBondContact O-CA 3.34Å; L104-K165 HydrophobicContact CD2-CB 3.69Å; L104-K165 HydrophobicContact CD2-CD 4.36Å; L104-K165 HydrophobicContact CD2-CG 3.9Å; L153-K165 WeakPolarHBondContact CB-O 3.32Å; L153-K165 HydrophobicContact CD1-CG 4.4Å; L153-K165 PolarHBondContact N-O 3.22Å; E154-K165 HydrophobicContact CB-CB 4.1Å; E154-K165 PolarHBondContact N-O 3.29Å; E154-K165 PolarHBondContact O-N 3.48Å; E154-K165 VanDerWaalsContact OE2-CD 3.27Å; E154-K165 WeakPolarHBondContact OE2-CD 3.29Å; E154-K165 IonicContact OE2-NZ 2.94Å; E154-K165 PolarHBondContact OE2-NZ 2.82Å; K165-D228 WeakPolarHBondContact CE-OD2 3.31Å; K165-D228 IonicContact NZ-OD1 2.67Å; K165-D228 IonicContact NZ-OD2 3.23Å; K165-D228 PolarHBondContact NZ-OD2 2.99Å; K165-F230 PolarHBondContact NZ-O 2.87Å; K165-W238 HydrophobicContact CB-CH2 4.33Å; K165-W238 HydrophobicContact CB-CZ2 4.05Å; K165-W238 HydrophobicContact CD-CZ2 4.22Å
166V98.9Very high97.3Very high0 Ų031.4 Ų31.40%019%0.193CC..EExtended strand (participates in β ladder)trans-130.7155.1-175.2-58.10000111.7L102 S103 L105 L150 I151 V152 T164 L168L102-V166 WeakPolarHBondContact CA-O 3.31Å; S103-V166 PolarHBondContact N-O 3.37Å; S103-V166 PolarHBondContact O-N 3.3Å; L105-V166 HydrophobicContact CD1-CG1 3.95Å; L105-V166 HydrophobicContact CD1-CG2 3.78Å; L105-V166 HydrophobicContact CD2-CG2 4.34Å; L105-V166 HydrophobicContact CG-CG1 4.3Å; L105-V166 HydrophobicContact CG-CG2 3.78Å; L150-V166 HydrophobicContact CD2-CG1 4.05Å; L150-V166 HydrophobicContact CG-CB 4.34Å; L150-V166 HydrophobicContact CG-CG1 4.25Å; I151-V166 CarbonylContact O-C 3.55Å; I151-V166 WeakPolarHBondContact O-CA 3.22Å; I151-V166 WeakPolarHBondContact O-CB 3.3Å; V152-V166 HydrophobicContact CG2-CG1 4.3Å; T164-V166 HydrophobicContact CG2-CG1 3.72Å; V166-L168 HydrophobicContact CG2-CD1 4.25Å; V166-L168 HydrophobicContact CG2-CD2 4.02Å; V166-L168 HydrophobicContact CG2-CG 3.85Å
167L98.8Very high97.2Very high0 Ų031.8 Ų31.80%020%0.195CC..EExtended strand (participates in β ladder)trans-101.4126.8159.7-176.2141.3000109A100 Y101 I151 L153 L247 T250 V251 V254A100-L167 HydrophobicContact CB-CD1 4.05Å; A100-L167 HydrophobicContact CB-CD2 3.94Å; A100-L167 HydrophobicContact CB-CG 4.01Å; Y101-L167 CarbonylContact O-C 3.57Å; Y101-L167 VanDerWaalsContact O-CA 3.32Å; Y101-L167 WeakPolarHBondContact O-CA 3.49Å; I151-L167 HydrophobicContact CB-CB 4.43Å; I151-L167 HydrophobicContact CD1-CD2 4.15Å; I151-L167 PolarHBondContact N-O 3.26Å; I151-L167 PolarHBondContact O-N 3.24Å; L153-L167 HydrophobicContact CD1-CB 4.17Å; L153-L167 HydrophobicContact CD2-CB 4.26Å; L153-L167 HydrophobicContact CG-CB 4.31Å; L167-L247 HydrophobicContact CD1-CD1 3.85Å; L167-T250 HydrophobicContact CB-CG2 4.26Å; L167-T250 HydrophobicContact CD1-CG2 4.05Å; L167-T250 HydrophobicContact CD2-CG2 4.14Å; L167-T250 HydrophobicContact CG-CG2 4.38Å; L167-V251 HydrophobicContact CD1-CG2 3.96Å; L167-V254 HydrophobicContact CD2-CG2 3.95Å
168L98.8Very high97.2Very high0 Ų031 Ų310%019%0.19CC..EExtended strand (participates in β ladder)trans-112.5120.8179.2-61.1168.3000109.7A100 Y101 T148 E149 L150 V166 P170 L178 L208A100-L168 CarbonylContact C-O 3.48Å; A100-L168 WeakPolarHBondContact CA-O 3.34Å; Y101-L168 PolarHBondContact N-O 2.73Å; Y101-L168 PolarHBondContact O-N 2.84Å; T148-L168 HydrophobicContact CG2-CB 4.28Å; T148-L168 HydrophobicContact CG2-CD2 4.17Å; E149-L168 CarbonylContact O-C 3.55Å; E149-L168 WeakPolarHBondContact O-CA 3.49Å; L150-L168 HydrophobicContact CB-CD2 3.81Å; L150-L168 HydrophobicContact CD1-CD2 3.85Å; L150-L168 HydrophobicContact CG-CD2 3.73Å; V166-L168 HydrophobicContact CG2-CD1 4.25Å; V166-L168 HydrophobicContact CG2-CD2 4.02Å; V166-L168 HydrophobicContact CG2-CG 3.85Å; L168-P170 WeakPolarHBondContact O-CD 3.38Å; L168-L178 HydrophobicContact CB-CD1 4.34Å; L168-L178 HydrophobicContact CB-CD2 4.01Å; L168-L178 HydrophobicContact CD1-CB 4.29Å; L168-L178 HydrophobicContact CD1-CD1 4.37Å; L168-L178 HydrophobicContact CD1-CD2 4.39Å; L168-L208 HydrophobicContact CD1-CD1 4.34Å
169Q98.5Very high97.2Very high14 Ų1431.6 Ų31.67%0.06519%0.192CC..EExtended strand (participates in β ladder)trans-108.997.8174.8-176.3-172.86.200110K99 E149 L171 V254K99-Q169 WeakPolarHBondContact O-CG 3.38Å; E149-Q169 HydrophobicContact CB-CB 4.22Å; E149-Q169 PolarHBondContact N-O 3.27Å; E149-Q169 PolarHBondContact O-N 3.18Å; Q169-L171 HydrophobicContact CG-CD2 4.07Å; Q169-L171 PolarHBondContact O-N 2.86Å; Q169-V254 HydrophobicContact CG-CG1 4.41Å
170P97.9Very high97.3Very high13 Ų1328 Ų288%0.08417%0.173CC..EExtended strand (participates in β ladder)trans-73.6120.117429.3-32.6000110.5K99 Y101 L168 T172 L178K99-P170 HydrophobicContact CB-CG 4.42Å; Y101-P170 HydrophobicContact CD2-CG 3.89Å; Y101-P170 HydrophobicContact CE2-CG 3.52Å; L168-P170 WeakPolarHBondContact O-CD 3.38Å; P170-T172 VanDerWaalsContact C-N 3.33Å; P170-T172 WeakPolarHBondContact CB-O 3.32Å; P170-L178 HydrophobicContact CB-CD2 3.89Å; P170-L178 HydrophobicContact CG-CD1 4.45Å; P170-L178 HydrophobicContact CG-CD2 4.18Å
171L96.1Very high97.4Very high46 Ų4625 Ų2524%0.24114%0.143CC..SBendtrans-86.2-12.1174.9-58-177000112.2Q147 E149 Q169Q147-L171 HydrophobicContact CB-CB 4.26Å; Q147-L171 HydrophobicContact CG-CD1 4.09Å; Q147-L171 PolarHBondContact O-N 2.84Å; Q147-L171 VanDerWaalsContact OE1-CD1 3.24Å; E149-L171 HydrophobicContact CG-CD1 4.03Å; E149-L171 HydrophobicContact CG-CG 4.39Å; Q169-L171 HydrophobicContact CG-CD2 4.07Å; Q169-L171 PolarHBondContact O-N 2.86Å
172T94.9Very high97.4Very high16 Ų1621.1 Ų21.110%0.09812%0.122CC..SBendtrans-122.5179.6170.353.40000110.5S146 Q147 P170 Q177S146-T172 VanDerWaalsContact CA-OG1 3.24Å; S146-T172 WeakPolarHBondContact CA-OG1 3.47Å; Q147-T172 PolarHBondContact N-OG1 2.83Å; Q147-T172 PolarHBondContact O-N 2.95Å; Q147-T172 PolarHBondContact O-OG1 2.87Å; P170-T172 VanDerWaalsContact C-N 3.33Å; P170-T172 WeakPolarHBondContact CB-O 3.32Å; T172-Q177 VanDerWaalsContact C-OE1 3.29Å; T172-Q177 PolarHBondContact O-OE1 3.12Å; T172-Q177 PolarHBondContact OG1-NE2 3.4Å; T172-Q177 PolarHBondContact OG1-OE1 3.08Å
173G93.1Very high97.4Very high44 Ų4419.9 Ų19.945%0.45411%0.114SC..  trans-141.979.3176.900000110.6
174R94.7Very high97.3Very high85 Ų8521.8 Ų21.832%0.32113%0.131SC..  trans-94.2155.4167-54.4-60.174155.5-2.7110.1V120 S146 H176 Q177V120-R174 HydrophobicContact CB-CB 4.23Å; V120-R174 HydrophobicContact CB-CG 4.25Å; V120-R174 HydrophobicContact CG1-CB 4.25Å; S146-R174 WeakPolarHBondContact OG-CG 3.43Å; R174-H176 PolarHBondContact O-N 3.02Å; R174-Q177 HydrophobicContact CB-CB 4.13Å; R174-Q177 WeakPolarHBondContact O-CB 3.15Å; R174-Q177 PolarHBondContact O-N 2.77Å
175T94.1Very high97.2Very high82 Ų8222.8 Ų22.850%0.50314%0.135SC..THydrogen-bonded Turntrans-52.9132.5172.6-54.20000109.5M132 Q177M132-T175 HydrophobicContact CG-CG2 4.02Å; M132-T175 WeakPolarHBondContact CG-O 3.18Å; M132-T175 HydrophobicContact SD-CG2 4.25Å; T175-Q177 PolarHBondContact O-N 2.82Å
176H96.8Very high97Very high34 Ų3425.1 Ų25.116%0.15716%0.162CC..THydrogen-bonded Turntrans52.918.6179.5-54.5172.3000115.7D69 M132 R174 L178 R179 V180 Y195D69-H176 IonicContact OD1-CD2 3.95Å; D69-H176 IonicContact OD2-CD2 3.52Å; D69-H176 PolarHBondContact OD2-CD2 2.95Å; M132-H176 HydrophobicContact CB-CB 4.47Å; M132-H176 HydrophobicContact CG-CB 4.15Å; R174-H176 PolarHBondContact O-N 3.02Å; H176-L178 VanDerWaalsContact C-N 3.34Å; H176-L178 PolarHBondContact O-N 3.32Å; H176-R179 HydrophobicContact CB-CB 4.41Å; H176-R179 PolarHBondContact CD2-NH1 3.13Å; H176-R179 VanDerWaalsContact CD2-NH1 3.27Å; H176-R179 PolarHBondContact NE2-NH1 3.16Å; H176-R179 WeakPolarHBondContact O-CB 3.48Å; H176-R179 PolarHBondContact O-N 3.1Å; H176-V180 HydrophobicContact CB-CG2 4.13Å; H176-V180 WeakPolarHBondContact O-CG2 3.4Å; H176-V180 PolarHBondContact O-N 3.37Å; H176-Y195 HydrophobicContact CB-CE2 3.74Å; H176-Y195 WeakPolarHBondContact CB-OH 3.21Å; H176-Y195 AromaticContact CG-CE2 3.89Å; H176-Y195 AromaticContact ND1-CE2 3.53Å; H176-Y195 AromaticContact ND1-CZ 3.67Å; H176-Y195 PolarHBondContact ND1-OH 3.01Å
177Q97.9Very high97Very high7 Ų726.7 Ų26.73%0.03317%0.169CC..Hα-helixtrans-51.4-49-169.8-177.5-177.9-4800113.4Q147 T148 T172 R174 T175 H181Q147-Q177 PolarHBondContact O-NE2 2.92Å; T148-Q177 PolarHBondContact OG1-NE2 3.38Å; T172-Q177 VanDerWaalsContact C-OE1 3.29Å; T172-Q177 PolarHBondContact O-OE1 3.12Å; T172-Q177 PolarHBondContact OG1-NE2 3.4Å; T172-Q177 PolarHBondContact OG1-OE1 3.08Å; R174-Q177 HydrophobicContact CB-CB 4.13Å; R174-Q177 WeakPolarHBondContact O-CB 3.15Å; R174-Q177 PolarHBondContact O-N 2.77Å; T175-Q177 PolarHBondContact O-N 2.82Å; Q177-H181 WeakPolarHBondContact O-CB 3.35Å; Q177-H181 PolarHBondContact O-CD2 3.16Å; Q177-H181 PolarHBondContact O-N 2.78Å
178L98.6Very high96.9Very high12 Ų1227.9 Ų27.96%0.06318%0.177CC..Hα-helixtrans-62.4-46.2-178.9-62.2-177.1000111.4Y101 T148 L168 P170 H176 H181 C182 L208Y101-L178 HydrophobicContact CD1-CD1 3.83Å; Y101-L178 HydrophobicContact CD2-CD1 3.56Å; Y101-L178 HydrophobicContact CE1-CD1 4.26Å; Y101-L178 HydrophobicContact CE2-CD1 4.04Å; Y101-L178 HydrophobicContact CG-CD1 3.48Å; Y101-L178 VanDerWaalsContact CG-CD1 3.48Å; T148-L178 HydrophobicContact CG2-CD2 3.39Å; L168-L178 HydrophobicContact CB-CD1 4.34Å; L168-L178 HydrophobicContact CB-CD2 4.01Å; L168-L178 HydrophobicContact CD1-CB 4.29Å; L168-L178 HydrophobicContact CD1-CD1 4.37Å; L168-L178 HydrophobicContact CD1-CD2 4.39Å; P170-L178 HydrophobicContact CB-CD2 3.89Å; P170-L178 HydrophobicContact CG-CD1 4.45Å; P170-L178 HydrophobicContact CG-CD2 4.18Å; H176-L178 VanDerWaalsContact C-N 3.34Å; H176-L178 PolarHBondContact O-N 3.32Å; L178-H181 PolarHBondContact O-N 3.23Å; L178-C182 VanDerWaalsContact O-CB 3.29Å; L178-C182 WeakPolarHBondContact O-CB 3.44Å; L178-C182 PolarHBondContact O-N 3.5Å; L178-C182 PolarHBondContact O-SG 3.2Å; L178-L208 HydrophobicContact CB-CD2 4.39Å; L178-L208 HydrophobicContact CD1-CD1 4.02Å; L178-L208 HydrophobicContact CD1-CD2 4.42Å
179R98.3Very high96.9Very high13 Ų1327.9 Ų27.95%0.04918%0.177CC..Hα-helixtrans-60.6-47.9-179.3-61.2165.365.3-168.3-0.3111.4D69 H176 S183 I189 D192 T194 Y195 M206 L208D69-R179 WeakPolarHBondContact OD2-CD 3.19Å; D69-R179 IonicContact OD2-NH1 3.31Å; D69-R179 PolarHBondContact OD2-NH1 2.92Å; H176-R179 HydrophobicContact CB-CB 4.41Å; H176-R179 PolarHBondContact CD2-NH1 3.13Å; H176-R179 VanDerWaalsContact CD2-NH1 3.27Å; H176-R179 PolarHBondContact NE2-NH1 3.16Å; H176-R179 WeakPolarHBondContact O-CB 3.48Å; H176-R179 PolarHBondContact O-N 3.1Å; R179-S183 WeakPolarHBondContact O-CB 3.18Å; R179-S183 PolarHBondContact O-N 2.91Å; R179-I189 HydrophobicContact CB-CD1 4.4Å; R179-I189 HydrophobicContact CG-CD1 3.87Å; R179-D192 VanDerWaalsContact CB-OD2 3.27Å; R179-D192 WeakPolarHBondContact CB-OD2 3.33Å; R179-D192 VanDerWaalsContact CG-OD2 3.26Å; R179-D192 WeakPolarHBondContact CG-OD2 3.37Å; R179-D192 IonicContact CZ-OD1 2.87Å; R179-D192 IonicContact CZ-OD2 3.59Å; R179-D192 IonicContact NE-OD1 3.54Å; R179-D192 PolarHBondContact NE-OD1 3.32Å; R179-D192 IonicContact NE-OD2 3.03Å; R179-D192 PolarHBondContact NE-OD2 2.87Å; R179-D192 IonicContact NH2-OD1 3.46Å; R179-D192 PolarHBondContact NH2-OD1 3.39Å; R179-D192 IonicContact NH2-OD2 3.46Å; R179-T194 VanDerWaalsContact NH2-CB 3.3Å; R179-T194 PolarHBondContact NH2-OG1 3.19Å; R179-T194 VanDerWaalsContact NH2-OG1 3.16Å; R179-Y195 HydrophobicContact CB-CD2 3.56Å; R179-Y195 HydrophobicContact CB-CE2 3.77Å; R179-Y195 HydrophobicContact CB-CG 4.27Å; R179-M206 HydrophobicContact CG-SD 4.26Å; R179-L208 HydrophobicContact CG-CD2 4.05Å
180V97.5Very high96.9Very high6 Ų627.2 Ų27.24%0.03617%0.174CC..Hα-helixtrans-63.6-48.4176.6176.60000111.3V120 M132 I134 H176 C182 S183 A184 Y195V120-V180 HydrophobicContact CG2-CG1 4.4Å; M132-V180 HydrophobicContact CB-CG2 3.71Å; I134-V180 HydrophobicContact CG2-CG1 3.45Å; I134-V180 VanDerWaalsContact CG2-CG1 3.45Å; H176-V180 HydrophobicContact CB-CG2 4.13Å; H176-V180 WeakPolarHBondContact O-CG2 3.4Å; H176-V180 PolarHBondContact O-N 3.37Å; V180-C182 PolarHBondContact O-N 3.16Å; V180-S183 PolarHBondContact O-N 2.94Å; V180-A184 WeakPolarHBondContact O-CB 3.35Å; V180-A184 PolarHBondContact O-N 3.41Å; V180-Y195 HydrophobicContact CB-CE1 4.29Å; V180-Y195 HydrophobicContact CG2-CD1 4.22Å; V180-Y195 HydrophobicContact CG2-CE1 3.35Å; V180-Y195 HydrophobicContact CG2-CE2 4.31Å; V180-Y195 WeakPolarHBondContact CG2-OH 2.85Å
181H98.3Very high96.9Very high0 Ų027.1 Ų27.10%018%0.175CC..Hα-helixtrans-62.4-43.4-178.6-80-148.5000111.5L116 F118 V120 T148 Q177 L178 A184 I185L116-H181 HydrophobicContact CB-CB 4.23Å; L116-H181 WeakPolarHBondContact CB-ND1 3.42Å; L116-H181 HydrophobicContact CD1-CB 3.83Å; L116-H181 PolarHBondContact O-CE1 3.25Å; L116-H181 VanDerWaalsContact O-CE1 3.24Å; L116-H181 PolarHBondContact O-ND1 2.79Å; F118-H181 PolarHBondContact O-NE2 3.27Å; F118-H181 VanDerWaalsContact O-NE2 3.12Å; V120-H181 WeakPolarHBondContact CG2-NE2 3.41Å; T148-H181 PolarHBondContact OG1-ND1 3.48Å; Q177-H181 WeakPolarHBondContact O-CB 3.35Å; Q177-H181 PolarHBondContact O-CD2 3.16Å; Q177-H181 PolarHBondContact O-N 2.78Å; L178-H181 PolarHBondContact O-N 3.23Å; H181-A184 PolarHBondContact O-N 3.35Å; H181-I185 PolarHBondContact O-N 3.06Å
182C98.1Very high97Very high0 Ų025 Ų250%016%0.164CC..Hα-helixtrans-64-45.7177-72.90000111.8L105 L178 V180 A184 I185 H187 I189L105-C182 HydrophobicContact CD2-CB 3.99Å; L178-C182 VanDerWaalsContact O-CB 3.29Å; L178-C182 WeakPolarHBondContact O-CB 3.44Å; L178-C182 PolarHBondContact O-N 3.5Å; L178-C182 PolarHBondContact O-SG 3.2Å; V180-C182 PolarHBondContact O-N 3.16Å; C182-A184 PolarHBondContact O-N 3.4Å; C182-I185 WeakPolarHBondContact O-CG1 3.38Å; C182-I185 PolarHBondContact O-N 2.68Å; C182-H187 CarbonylContact C-O 3.51Å; C182-H187 VanDerWaalsContact C-O 3.32Å; C182-H187 WeakPolarHBondContact CB-O 3.27Å; C182-H187 CarbonylContact O-C 2.96Å; C182-H187 WeakPolarHBondContact O-CA 3.26Å; C182-H187 PolarHBondContact O-N 3.37Å; C182-H187 VanDerWaalsContact O-O 3.08Å; C182-I189 HydrophobicContact CB-CG1 4.1Å
183S97.3Very high96.9Very high39 Ų3930.2 Ų30.227%0.27319%0.185SC..Hα-helixtrans-61.4-42.1174.3-179.90000112.2R179 V180 I185 G186 Y195R179-S183 WeakPolarHBondContact O-CB 3.18Å; R179-S183 PolarHBondContact O-N 2.91Å; V180-S183 PolarHBondContact O-N 2.94Å; S183-I185 VanDerWaalsContact C-N 3.26Å; S183-I185 PolarHBondContact O-N 3.38Å; S183-G186 PolarHBondContact O-N 2.95Å; S183-Y195 PolarHBondContact OG-O 3.36Å; S183-Y195 VanDerWaalsContact OG-O 3.12Å
184A96.5Very high96.9Very high41 Ų4129.7 Ų29.734%0.33917%0.173SC..Hα-helixtrans-61.8-29.2179.800000114.1F118 I134 V180 H181 C182 G186F118-A184 HydrophobicContact CD2-CB 4.39Å; F118-A184 HydrophobicContact CE2-CB 4.45Å; I134-A184 HydrophobicContact CD1-CB 3.87Å; I134-A184 HydrophobicContact CG2-CB 3.88Å; V180-A184 WeakPolarHBondContact O-CB 3.35Å; V180-A184 PolarHBondContact O-N 3.41Å; H181-A184 PolarHBondContact O-N 3.35Å; C182-A184 PolarHBondContact O-N 3.4Å; A184-G186 VanDerWaalsContact C-N 3.28Å
185I96.7Very high96.9Very high20 Ų2026.3 Ų26.310%0.10316%0.161CC..THydrogen-bonded Turntrans-88.58.8174.564.3167.5000113.6L116 F118 L150 H181 C182 S183 H187L116-I185 HydrophobicContact CD1-CD1 4.12Å; L116-I185 HydrophobicContact CD2-CD1 4.25Å; L116-I185 HydrophobicContact CD2-CG2 3.56Å; F118-I185 HydrophobicContact CE2-CG2 3.92Å; L150-I185 HydrophobicContact CD1-CD1 3.97Å; H181-I185 PolarHBondContact O-N 3.06Å; C182-I185 WeakPolarHBondContact O-CG1 3.38Å; C182-I185 PolarHBondContact O-N 2.68Å; S183-I185 VanDerWaalsContact C-N 3.26Å; S183-I185 PolarHBondContact O-N 3.38Å; I185-H187 VanDerWaalsContact C-N 3.35Å; I185-H187 HydrophobicContact CD1-CB 4.42Å; I185-H187 HydrophobicContact CG1-CB 4.22Å; I185-H187 PolarHBondContact O-CD2 3.2Å; I185-H187 VanDerWaalsContact O-CD2 3.24Å
186G96.3Very high96.7Very high56 Ų5623.2 Ų23.258%0.57714%0.142SC*.THydrogen-bonded Turntrans829.6-179.800000114.7S183 A184 P188S183-G186 PolarHBondContact O-N 2.95Å; A184-G186 VanDerWaalsContact C-N 3.28Å; G186-P188 VanDerWaalsContact C-CD 3.5Å; G186-P188 WeakPolarHBondContact O-CD 3.39Å
187H97.7Very high96.3Very high33 Ų3327.7 Ų27.715%0.15317%0.167CC..  trans-125.267.1-176.4-62.5-72.1000110.7L105 R106 W108 V109 C182 I185L105-H187 HydrophobicContact CB-CB 4.15Å; L105-H187 HydrophobicContact CD1-CB 4.28Å; R106-H187 WeakPolarHBondContact O-CA 3.14Å; R106-H187 WeakPolarHBondContact O-CB 3.43Å; R106-H187 PolarHBondContact O-ND1 3.49Å; W108-H187 PolarHBondContact O-CE1 3.11Å; V109-H187 HydrophobicContact CG2-CB 4.25Å; C182-H187 CarbonylContact C-O 3.51Å; C182-H187 VanDerWaalsContact C-O 3.32Å; C182-H187 WeakPolarHBondContact CB-O 3.27Å; C182-H187 CarbonylContact O-C 2.96Å; C182-H187 WeakPolarHBondContact O-CA 3.26Å; C182-H187 PolarHBondContact O-N 3.37Å; C182-H187 VanDerWaalsContact O-O 3.08Å; I185-H187 VanDerWaalsContact C-N 3.35Å; I185-H187 HydrophobicContact CD1-CB 4.42Å; I185-H187 HydrophobicContact CG1-CB 4.22Å; I185-H187 PolarHBondContact O-CD2 3.2Å; I185-H187 VanDerWaalsContact O-CD2 3.24Å
188P97.9Very high95.8Very high25 Ų2528.6 Ų28.616%0.16218%0.178CC..PPolyproline II helixtrans-59.5153.1179.827.6-35.1000111.2R106 G186R106-P188 HydrophobicContact CB-CG 4.19Å; R106-P188 HydrophobicContact CG-CG 4.32Å; R106-P188 PolarHBondContact N-O 2.99Å; G186-P188 VanDerWaalsContact C-CD 3.5Å; G186-P188 WeakPolarHBondContact O-CD 3.39Å
189I98.7Very high95.3Very high0 Ų032 Ų320%021%0.208CC..BIsolated β-bridgetrans-66.7134.6177.1-62.4178.8000108.8L105 R179 C182 G191 D192 M206 M207 L208L105-I189 HydrophobicContact CD2-CB 4.35Å; L105-I189 HydrophobicContact CD2-CG1 3.6Å; R179-I189 HydrophobicContact CB-CD1 4.4Å; R179-I189 HydrophobicContact CG-CD1 3.87Å; C182-I189 HydrophobicContact CB-CG1 4.1Å; I189-G191 PolarHBondContact O-N 2.67Å; I189-D192 HydrophobicContact CB-CB 4.06Å; I189-D192 VanDerWaalsContact O-CB 3.27Å; I189-D192 WeakPolarHBondContact O-CB 3.44Å; I189-D192 PolarHBondContact O-N 3.46Å; I189-M206 HydrophobicContact CG2-CG 3.84Å; I189-M207 HydrophobicContact CG2-CB 4.37Å; I189-M207 WeakPolarHBondContact CG2-O 3.44Å; I189-L208 HydrophobicContact CD1-CB 4.17Å; I189-L208 HydrophobicContact CD1-CD1 4.04Å; I189-L208 HydrophobicContact CD1-CD2 3.89Å; I189-L208 HydrophobicContact CD1-CG 4.25Å; I189-L208 HydrophobicContact CG2-CB 4.32Å
190V98.6Very high94.8Very high0 Ų031.8 Ų31.80%021%0.208CC..THydrogen-bonded Turntrans-58128.6176.91760000109.8L104 R106 Y158 V163 D192 D200 P203 M207L104-V190 HydrophobicContact CB-CB 4.18Å; L104-V190 HydrophobicContact CB-CG2 3.87Å; L104-V190 WeakPolarHBondContact O-CG2 3.24Å; L104-V190 PolarHBondContact O-N 3.18Å; R106-V190 HydrophobicContact CG-CG2 4.06Å; Y158-V190 HydrophobicContact CD1-CG1 3.73Å; Y158-V190 HydrophobicContact CE1-CG1 3.86Å; Y158-V190 HydrophobicContact CG-CG1 4.1Å; V163-V190 HydrophobicContact CB-CG2 4.44Å; V163-V190 HydrophobicContact CG1-CG2 3.75Å; V190-D192 VanDerWaalsContact C-N 3.31Å; V190-D192 PolarHBondContact O-N 3.45Å; V190-D200 VanDerWaalsContact CA-OD2 3.32Å; V190-D200 WeakPolarHBondContact CA-OD2 3.31Å; V190-P203 HydrophobicContact CG1-CB 4.13Å; V190-P203 HydrophobicContact CG1-CG 3.65Å; V190-M207 HydrophobicContact CB-CB 4.04Å; V190-M207 HydrophobicContact CB-CG 3.77Å; V190-M207 HydrophobicContact CG1-CG 3.83Å; V190-M207 WeakPolarHBondContact O-CB 3.33Å; V190-M207 WeakPolarHBondContact O-CG 3.5Å; V190-M207 PolarHBondContact O-N 3.02Å
191G97.6Very high94.5Very high11 Ų1137.1 Ų37.111%0.11324%0.236CC..THydrogen-bonded Turntrans75.712.2-178.500000114.7I189 F193 D200I189-G191 PolarHBondContact O-N 2.67Å; G191-F193 PolarHBondContact O-N 3.34Å; G191-D200 PolarHBondContact N-OD1 2.95Å; G191-D200 PolarHBondContact N-OD2 3.12Å
192D97.3Very high94.2Very high1 Ų140.5 Ų40.51%0.00526%0.259CS..  trans-84.283.9172.5-168.7-21.5000111.5R179 I189 V190 T194 Y195 S196 M206R179-D192 VanDerWaalsContact CB-OD2 3.27Å; R179-D192 WeakPolarHBondContact CB-OD2 3.33Å; R179-D192 VanDerWaalsContact CG-OD2 3.26Å; R179-D192 WeakPolarHBondContact CG-OD2 3.37Å; R179-D192 IonicContact CZ-OD1 2.87Å; R179-D192 IonicContact CZ-OD2 3.59Å; R179-D192 IonicContact NE-OD1 3.54Å; R179-D192 PolarHBondContact NE-OD1 3.32Å; R179-D192 IonicContact NE-OD2 3.03Å; R179-D192 PolarHBondContact NE-OD2 2.87Å; R179-D192 IonicContact NH2-OD1 3.46Å; R179-D192 PolarHBondContact NH2-OD1 3.39Å; R179-D192 IonicContact NH2-OD2 3.46Å; I189-D192 HydrophobicContact CB-CB 4.06Å; I189-D192 VanDerWaalsContact O-CB 3.27Å; I189-D192 WeakPolarHBondContact O-CB 3.44Å; I189-D192 PolarHBondContact O-N 3.46Å; V190-D192 VanDerWaalsContact C-N 3.31Å; V190-D192 PolarHBondContact O-N 3.45Å; D192-T194 PolarHBondContact O-N 2.96Å; D192-T194 VanDerWaalsContact O-N 3.1Å; D192-T194 PolarHBondContact OD1-N 2.87Å; D192-Y195 PolarHBondContact O-N 3.36Å; D192-Y195 PolarHBondContact OD1-N 2.96Å; D192-Y195 VanDerWaalsContact OD1-N 3.16Å; D192-Y195 WeakPolarHBondContact OD2-CD2 3.2Å; D192-S196 VanDerWaalsContact O-CB 3.23Å; D192-S196 WeakPolarHBondContact O-CB 3.28Å; D192-S196 PolarHBondContact O-N 3.45Å; D192-S196 PolarHBondContact O-OG 2.91Å; D192-M206 HydrophobicContact CB-CG 4.03Å; D192-M206 HydrophobicContact CB-SD 3.84Å
193F93.4Very high94.1Very high125 Ų12541 Ų4155%0.54826%0.263SS..THydrogen-bonded Turntrans-51.8-35.4-179.9-171.6-98.4000114.1G191 S196 G198 D201G191-F193 PolarHBondContact O-N 3.34Å; F193-S196 PolarHBondContact O-OG 3.4Å; F193-G198 PolarHBondContact O-N 3.22Å; F193-D201 HydrophobicContact CD2-CB 3.75Å; F193-D201 HydrophobicContact CE2-CB 3.86Å
194T93.3Very high94Very high33 Ų3342.4 Ų42.420%0.20226%0.263CS..THydrogen-bonded Turntrans-71.8-50.9-176.7-51.90000111.2M131 R179 D192 L197M131-T194 HydrophobicContact CE-CG2 4.02Å; M131-T194 VanDerWaalsContact CE-O 3.24Å; M131-T194 WeakPolarHBondContact CE-O 3.43Å; M131-T194 HydrophobicContact CG-CG2 3.63Å; M131-T194 HydrophobicContact SD-CG2 4.2Å; R179-T194 VanDerWaalsContact NH2-CB 3.3Å; R179-T194 PolarHBondContact NH2-OG1 3.19Å; R179-T194 VanDerWaalsContact NH2-OG1 3.16Å; D192-T194 PolarHBondContact O-N 2.96Å; D192-T194 VanDerWaalsContact O-N 3.1Å; D192-T194 PolarHBondContact OD1-N 2.87Å; T194-L197 PolarHBondContact O-N 3.41Å
195Y94.1Very high94Very high14 Ų1440.7 Ų40.76%0.05525%0.248CC..THydrogen-bonded Turntrans-91.3-8.1-172.7-71.5-77.1000114.2M131 M132 H176 R179 V180 S183 D192 L197M131-Y195 HydrophobicContact CE-CD1 3.86Å; M131-Y195 HydrophobicContact CE-CE1 3.93Å; M132-Y195 WeakPolarHBondContact CB-OH 3.33Å; M132-Y195 PolarHBondContact N-OH 3.3Å; M132-Y195 WeakPolarHBondContact O-CE1 3.21Å; M132-Y195 PolarHBondContact O-OH 3.37Å; H176-Y195 HydrophobicContact CB-CE2 3.74Å; H176-Y195 WeakPolarHBondContact CB-OH 3.21Å; H176-Y195 AromaticContact CG-CE2 3.89Å; H176-Y195 AromaticContact ND1-CE2 3.53Å; H176-Y195 AromaticContact ND1-CZ 3.67Å; H176-Y195 PolarHBondContact ND1-OH 3.01Å; R179-Y195 HydrophobicContact CB-CD2 3.56Å; R179-Y195 HydrophobicContact CB-CE2 3.77Å; R179-Y195 HydrophobicContact CB-CG 4.27Å; V180-Y195 HydrophobicContact CB-CE1 4.29Å; V180-Y195 HydrophobicContact CG2-CD1 4.22Å; V180-Y195 HydrophobicContact CG2-CE1 3.35Å; V180-Y195 HydrophobicContact CG2-CE2 4.31Å; V180-Y195 WeakPolarHBondContact CG2-OH 2.85Å; S183-Y195 PolarHBondContact OG-O 3.36Å; S183-Y195 VanDerWaalsContact OG-O 3.12Å; D192-Y195 PolarHBondContact O-N 3.36Å; D192-Y195 PolarHBondContact OD1-N 2.96Å; D192-Y195 VanDerWaalsContact OD1-N 3.16Å; D192-Y195 WeakPolarHBondContact OD2-CD2 3.2Å; Y195-L197 VanDerWaalsContact C-N 3.3Å
196S90.1Very high94.1Very high17 Ų1740 Ų4012%0.11924%0.244CC..THydrogen-bonded Turntrans-86.81.5164.177.20000113D192 F193 G198 A199 D200D192-S196 VanDerWaalsContact O-CB 3.23Å; D192-S196 WeakPolarHBondContact O-CB 3.28Å; D192-S196 PolarHBondContact O-N 3.45Å; D192-S196 PolarHBondContact O-OG 2.91Å; F193-S196 PolarHBondContact O-OG 3.4Å; S196-G198 VanDerWaalsContact C-N 3.26Å; S196-G198 PolarHBondContact O-N 3.16Å; S196-A199 VanDerWaalsContact O-CB 3.24Å; S196-A199 WeakPolarHBondContact O-CB 3.46Å; S196-A199 PolarHBondContact O-N 3.48Å; S196-A199 VanDerWaalsContact O-N 3.11Å; S196-A199 PolarHBondContact OG-N 2.95Å; S196-D200 WeakPolarHBondContact OG-CB 3.49Å; S196-D200 PolarHBondContact OG-N 3.46Å; S196-D200 VanDerWaalsContact OG-N 3.11Å
197L87.6Confident94.2Very high129 Ų12937.3 Ų37.368%0.67522%0.216SC*.THydrogen-bonded Turntrans54.141.2-174.6-55.3177000112.8M131 T194 Y195 A199M131-L197 HydrophobicContact CE-CD2 4.15Å; T194-L197 PolarHBondContact O-N 3.41Å; Y195-L197 VanDerWaalsContact C-N 3.3Å; L197-A199 VanDerWaalsContact C-N 3.28Å; L197-A199 PolarHBondContact O-N 3.04Å
198G87.3Confident94.2Very high25 Ų2536 Ų3626%0.25821%0.21SC..THydrogen-bonded Turntrans81.5-3.4-18000000115.2F193 S196 D200F193-G198 PolarHBondContact O-N 3.22Å; S196-G198 VanDerWaalsContact C-N 3.26Å; S196-G198 PolarHBondContact O-N 3.16Å; G198-D200 VanDerWaalsContact C-N 3.3Å; G198-D200 PolarHBondContact O-N 3.23Å
199A88.2Confident94.3Very high85 Ų8534.8 Ų34.870%0.70220%0.202SC*.SBendtrans-74.4-13.6-17700000115.2S196 L197S196-A199 VanDerWaalsContact O-CB 3.24Å; S196-A199 WeakPolarHBondContact O-CB 3.46Å; S196-A199 PolarHBondContact O-N 3.48Å; S196-A199 VanDerWaalsContact O-N 3.11Å; S196-A199 PolarHBondContact OG-N 2.95Å; L197-A199 VanDerWaalsContact C-N 3.28Å; L197-A199 PolarHBondContact O-N 3.04Å
200D88.9Confident94.3Very high7 Ų735 Ų354%0.03720%0.204CC..  trans-125.366.4-171.3-157.8-5000110.1R106 V190 G191 S196 G198 P203R106-D200 IonicContact CZ-OD1 3.5Å; R106-D200 IonicContact CZ-OD2 2.78Å; R106-D200 IonicContact NE-OD1 2.68Å; R106-D200 IonicContact NE-OD2 2.79Å; R106-D200 PolarHBondContact NE-OD2 3.49Å; R106-D200 IonicContact NH2-OD1 3.74Å; R106-D200 PolarHBondContact NH2-OD1 2.91Å; R106-D200 IonicContact NH2-OD2 3.59Å; R106-D200 PolarHBondContact NH2-OD2 3.03Å; V190-D200 VanDerWaalsContact CA-OD2 3.32Å; V190-D200 WeakPolarHBondContact CA-OD2 3.31Å; G191-D200 PolarHBondContact N-OD1 2.95Å; G191-D200 PolarHBondContact N-OD2 3.12Å; S196-D200 WeakPolarHBondContact OG-CB 3.49Å; S196-D200 PolarHBondContact OG-N 3.46Å; S196-D200 VanDerWaalsContact OG-N 3.11Å; G198-D200 VanDerWaalsContact C-N 3.3Å; G198-D200 PolarHBondContact O-N 3.23Å; D200-P203 WeakPolarHBondContact OD1-CD 3.24Å; D200-P203 WeakPolarHBondContact OD1-CG 3.32Å
201D90.8Very high94.3Very high119 Ų11936.1 Ų36.164%0.63621%0.209SC*.  trans-105.2-7.9-176.669.5-16.8000113.8F193F193-D201 HydrophobicContact CD2-CB 3.75Å; F193-D201 HydrophobicContact CE2-CB 3.86Å
202S92.2Very high94.3Very high70 Ų7035.8 Ų35.849%0.4920%0.204SC..  trans-79.3-31-178.374.80000115.8
203P95.8Very high94.4Very high11 Ų1135.9 Ų35.97%0.07121%0.205CC..SBendtrans-65.5143.3174-22.236.6000111.1Y158 V190 D200 R205 M207Y158-P203 HydrophobicContact CE1-CB 3.92Å; Y158-P203 HydrophobicContact CE1-CG 3.84Å; V190-P203 HydrophobicContact CG1-CB 4.13Å; V190-P203 HydrophobicContact CG1-CG 3.65Å; D200-P203 WeakPolarHBondContact OD1-CD 3.24Å; D200-P203 WeakPolarHBondContact OD1-CG 3.32Å; P203-R205 PolarHBondContact O-N 2.79Å; P203-M207 HydrophobicContact CB-CE 4.37Å
204Y95.2Very high94.6Very high69 Ų6930.6 Ų30.627%0.27118%0.181SC..SBendtrans-67.5-10.5-176.773.5-85.3000114.2W27 M207 D235W27-Y204 AromaticContact CE2-CE2 3.89Å; W27-Y204 AromaticContact CH2-CD2 3.92Å; W27-Y204 HydrophobicContact CH2-CD2 3.92Å; W27-Y204 HydrophobicContact CH2-CE2 4.49Å; W27-Y204 AromaticContact CZ2-CD2 3.66Å; W27-Y204 HydrophobicContact CZ2-CD2 3.66Å; W27-Y204 AromaticContact CZ2-CE2 3.8Å; W27-Y204 HydrophobicContact CZ2-CE2 3.8Å; W27-Y204 WeakPolarHBondContact CZ3-O 3.49Å; Y204-M207 HydrophobicContact CD1-CE 4.28Å; Y204-M207 HydrophobicContact CE1-CE 3.82Å; Y204-D235 HydrophobicContact CE1-CB 4.44Å; Y204-D235 WeakPolarHBondContact CE1-OD2 3.02Å
205R96.6Very high94.9Very high5 Ų529 Ų292%0.01917%0.171CC..SBendtrans-162165.9-179.162.5174.2-71.3-178.5-3110.9W27 S73 P203 M207W27-R205 HydrophobicContact CB-CB 4.35Å; W27-R205 HydrophobicContact CD2-CB 3.62Å; W27-R205 HydrophobicContact CD2-CG 4.44Å; W27-R205 HydrophobicContact CE3-CB 3.6Å; W27-R205 HydrophobicContact CG-CB 3.97Å; W27-R205 HydrophobicContact CZ3-CB 4.18Å; S73-R205 PolarHBondContact OG-NH2 2.93Å; P203-R205 PolarHBondContact O-N 2.79Å; R205-M207 HydrophobicContact CG-CE 3.92Å; R205-M207 HydrophobicContact CG-SD 3.94Å
206M98.2Very high95Very high5 Ų529.2 Ų29.23%0.02518%0.175CC..  trans-72.5129.1163.5-170.81747100110.8T72 R179 I189 D192 L208T72-M206 WeakPolarHBondContact OG1-CE 3.42Å; R179-M206 HydrophobicContact CG-SD 4.26Å; I189-M206 HydrophobicContact CG2-CG 3.84Å; D192-M206 HydrophobicContact CB-CG 4.03Å; D192-M206 HydrophobicContact CB-SD 3.84Å; M206-L208 HydrophobicContact CE-CB 4Å; M206-L208 HydrophobicContact CE-CD2 4.17Å; M206-L208 HydrophobicContact CG-CB 4.38Å; M206-L208 PolarHBondContact O-N 3.33Å
207M98.6Very high95.2Very high0 Ų029 Ų290%017%0.172CC..  trans-84.655.6-178.1-59.2-59.5177.200111.8S103 L104 Y158 I189 V190 P203 Y204 R205 F230S103-M207 WeakPolarHBondContact CA-O 3.44Å; S103-M207 WeakPolarHBondContact CB-O 3.29Å; S103-M207 PolarHBondContact OG-O 3.25Å; L104-M207 HydrophobicContact CB-CB 3.85Å; L104-M207 HydrophobicContact CB-CG 4.27Å; L104-M207 HydrophobicContact CD1-CB 4.49Å; L104-M207 HydrophobicContact CD1-CG 4.21Å; L104-M207 HydrophobicContact CG-CB 4.29Å; L104-M207 PolarHBondContact N-O 3.42Å; Y158-M207 HydrophobicContact CE2-CE 3.53Å; Y158-M207 WeakPolarHBondContact OH-CE 3.46Å; I189-M207 HydrophobicContact CG2-CB 4.37Å; I189-M207 WeakPolarHBondContact CG2-O 3.44Å; V190-M207 HydrophobicContact CB-CB 4.04Å; V190-M207 HydrophobicContact CB-CG 3.77Å; V190-M207 HydrophobicContact CG1-CG 3.83Å; V190-M207 WeakPolarHBondContact O-CB 3.33Å; V190-M207 WeakPolarHBondContact O-CG 3.5Å; V190-M207 PolarHBondContact O-N 3.02Å; P203-M207 HydrophobicContact CB-CE 4.37Å; Y204-M207 HydrophobicContact CD1-CE 4.28Å; Y204-M207 HydrophobicContact CE1-CE 3.82Å; R205-M207 HydrophobicContact CG-CE 3.92Å; R205-M207 HydrophobicContact CG-SD 3.94Å; M207-F230 HydrophobicContact CB-CD1 4.5Å; M207-F230 HydrophobicContact CB-CE1 3.94Å; M207-F230 HydrophobicContact CB-CZ 4.01Å; M207-F230 HydrophobicContact CG-CE1 4.3Å; M207-F230 HydrophobicContact SD-CD1 3.73Å; M207-F230 HydrophobicContact SD-CE1 3.41Å; M207-F230 WeakPolarHBondContact SD-CE1 3.4Å; M207-F230 HydrophobicContact SD-CZ 4.37Å
208L98.8Very high95.2Very high4 Ų430.2 Ų30.22%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-125126.9171.6-174.458.7000110.2T72 S73 Y101 L168 L178 R179 I189 M206T72-L208 HydrophobicContact CG2-CD2 4.27Å; T72-L208 HydrophobicContact CG2-CG 4.04Å; S73-L208 PolarHBondContact N-O 2.97Å; S73-L208 PolarHBondContact OG-O 2.88Å; Y101-L208 HydrophobicContact CD1-CD1 4.14Å; Y101-L208 HydrophobicContact CD1-CG 4.37Å; Y101-L208 HydrophobicContact CG-CD1 4.38Å; L168-L208 HydrophobicContact CD1-CD1 4.34Å; L178-L208 HydrophobicContact CB-CD2 4.39Å; L178-L208 HydrophobicContact CD1-CD1 4.02Å; L178-L208 HydrophobicContact CD1-CD2 4.42Å; R179-L208 HydrophobicContact CG-CD2 4.05Å; I189-L208 HydrophobicContact CD1-CB 4.17Å; I189-L208 HydrophobicContact CD1-CD1 4.04Å; I189-L208 HydrophobicContact CD1-CD2 3.89Å; I189-L208 HydrophobicContact CD1-CG 4.25Å; I189-L208 HydrophobicContact CG2-CB 4.32Å; M206-L208 HydrophobicContact CE-CB 4Å; M206-L208 HydrophobicContact CE-CD2 4.17Å; M206-L208 HydrophobicContact CG-CB 4.38Å; M206-L208 PolarHBondContact O-N 3.33Å
209H98.9Very high95.2Very high0 Ų035.2 Ų35.20%020%0.202CC..EExtended strand (participates in β ladder)trans-137.1120.7-174.5179.666.4000111.8M1 D24 S73 G74 Y101 L102 Y211 A226 G227 P229 F230M1-H209 WeakPolarHBondContact CE-CE1 3.2Å; D24-H209 IonicContact OD1-CE1 3.95Å; D24-H209 PolarHBondContact OD1-CE1 3.5Å; S73-H209 CarbonylContact O-C 3.53Å; S73-H209 WeakPolarHBondContact O-CA 3.32Å; S73-H209 PolarHBondContact OG-ND1 2.97Å; G74-H209 WeakPolarHBondContact CA-CE1 3.35Å; G74-H209 WeakPolarHBondContact CA-ND1 3.41Å; Y101-H209 CarbonylContact C-O 3.34Å; Y101-H209 WeakPolarHBondContact CA-O 3.36Å; Y101-H209 WeakPolarHBondContact CB-O 3.47Å; L102-H209 PolarHBondContact N-O 2.96Å; L102-H209 PolarHBondContact O-N 3.19Å; H209-Y211 PolarHBondContact O-N 3.32Å; H209-A226 WeakPolarHBondContact NE2-CB 3.1Å; H209-G227 PolarHBondContact NE2-O 2.97Å; H209-P229 HydrophobicContact CB-CG 3.83Å; H209-P229 VanDerWaalsContact CD2-CD 3.47Å; H209-P229 WeakPolarHBondContact CD2-CD 3.21Å; H209-F230 HydrophobicContact CB-CE2 3.79Å; H209-F230 HydrophobicContact CB-CZ 3.77Å
210A98.8Very high95.2Very high5 Ų538.1 Ų38.14%0.04120%0.201CC..EExtended strand (participates in β ladder)trans-70.490.417300000110L68 S73 G74 A75 Y101L68-A210 HydrophobicContact CD1-CB 4.04Å; L68-A210 HydrophobicContact CD2-CB 3.82Å; S73-A210 PolarHBondContact O-N 2.95Å; G74-A210 CarbonylContact C-O 3.6Å; G74-A210 WeakPolarHBondContact CA-O 3.46Å; A75-A210 PolarHBondContact N-O 3.25Å; Y101-A210 VanDerWaalsContact CD1-CA 3.44Å; Y101-A210 HydrophobicContact CD1-CB 3.8Å; Y101-A210 HydrophobicContact CE1-CB 3.48Å; Y101-A210 VanDerWaalsContact CE1-CB 3.48Å
211Y98.8Very high95.5Very high24 Ų2441.3 Ų41.39%0.09422%0.216CC..EExtended strand (participates in β ladder)trans-81.9-53.6-170.3175.3-99.7000112.6A100 L102 H209 T225 A226 L247 V251A100-Y211 PolarHBondContact O-N 2.82Å; L102-Y211 HydrophobicContact CD1-CD2 3.58Å; L102-Y211 HydrophobicContact CD1-CE2 4.16Å; L102-Y211 HydrophobicContact CD1-CG 3.91Å; L102-Y211 HydrophobicContact CG-CD2 4.18Å; L102-Y211 HydrophobicContact CG-CG 3.98Å; H209-Y211 PolarHBondContact O-N 3.32Å; Y211-T225 HydrophobicContact CE1-CG2 3.99Å; Y211-T225 CarbonylContact O-C 3.39Å; Y211-T225 VanDerWaalsContact O-CA 3.31Å; Y211-T225 WeakPolarHBondContact O-CA 3.22Å; Y211-A226 VanDerWaalsContact CD2-O 3.23Å; Y211-A226 WeakPolarHBondContact CD2-O 3.28Å; Y211-A226 WeakPolarHBondContact CE2-O 3.49Å; Y211-A226 PolarHBondContact O-N 3.18Å; Y211-L247 HydrophobicContact CD1-CD1 4.48Å; Y211-L247 HydrophobicContact CE1-CD1 4.13Å; Y211-L247 HydrophobicContact CE1-CD2 4.22Å; Y211-L247 HydrophobicContact CE1-CG 4.24Å; Y211-L247 HydrophobicContact CE2-CD2 3.82Å; Y211-V251 HydrophobicContact CD1-CG2 4.22Å; Y211-V251 HydrophobicContact CE1-CG2 3.6Å
212L98.7Very high95.8Very high3 Ų335.7 Ų35.72%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-110.9131.9-176178.773000110.2K99 A100 L223 T225 V251 V254 L255K99-L212 VanDerWaalsContact CA-O 3.32Å; K99-L212 WeakPolarHBondContact CA-O 3.36Å; A100-L212 HydrophobicContact CB-CB 3.81Å; A100-L212 HydrophobicContact CB-CD2 4.08Å; A100-L212 PolarHBondContact N-O 2.98Å; A100-L212 PolarHBondContact O-N 3.46Å; L212-L223 HydrophobicContact CD1-CD1 3.75Å; L212-T225 HydrophobicContact CD1-CG2 3.64Å; L212-V251 HydrophobicContact CD1-CG1 4.13Å; L212-V251 HydrophobicContact CD2-CG1 4.17Å; L212-V254 HydrophobicContact CD2-CG1 4.13Å; L212-L255 HydrophobicContact CD1-CD2 4.48Å; L212-L255 HydrophobicContact CD2-CD2 4.1Å; L212-L255 HydrophobicContact CD2-CG 4.29Å
213L98.6Very high96.1Very high4 Ų436 Ų362%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-131.4121.6167.5175.866.8000109.9A75 C77 F92 V97 K99 I215 L222 V224A75-L213 HydrophobicContact CB-CB 4.06Å; C77-L213 HydrophobicContact CB-CD2 3.69Å; F92-L213 HydrophobicContact CZ-CD1 4.35Å; V97-L213 HydrophobicContact CG1-CD1 3.66Å; K99-L213 HydrophobicContact CG-CD1 4.08Å; L213-I215 HydrophobicContact CD1-CG1 4.1Å; L213-I215 HydrophobicContact CD2-CD1 4.33Å; L213-I215 HydrophobicContact CG-CG1 4.18Å; L213-L222 HydrophobicContact CD2-CD2 4.41Å; L213-L222 HydrophobicContact CG-CD2 4.46Å; L213-V224 HydrophobicContact CB-CG2 3.72Å; L213-V224 HydrophobicContact CD2-CG2 4.35Å; L213-V224 HydrophobicContact CG-CG2 4.35Å; L213-V224 PolarHBondContact N-O 3.28Å; L213-V224 WeakPolarHBondContact O-CG2 3.45Å; L213-V224 PolarHBondContact O-N 2.95Å
214R98.3Very high96.2Very high13 Ų1335.9 Ų35.95%0.04918%0.181CC..EExtended strand (participates in β ladder)trans-120.5120170.3-176.8-171.1169.3-108.20109.9V97 T98 L222 L223 L255 E262V97-R214 CarbonylContact C-O 3.53Å; V97-R214 WeakPolarHBondContact CA-O 3.37Å; V97-R214 VanDerWaalsContact CG1-O 3.27Å; V97-R214 WeakPolarHBondContact CG1-O 3.47Å; T98-R214 PolarHBondContact N-O 3.48Å; T98-R214 PolarHBondContact O-N 2.91Å; R214-L222 CarbonylContact C-O 3.42Å; R214-L222 VanDerWaalsContact CA-O 3.28Å; R214-L222 WeakPolarHBondContact CA-O 3.19Å; R214-L223 HydrophobicContact CB-CD1 3.88Å; R214-L223 HydrophobicContact CG-CD1 4.19Å; R214-L255 HydrophobicContact CB-CD2 4.32Å; R214-E262 IonicContact CZ-OE2 2.9Å; R214-E262 VanDerWaalsContact CZ-OE2 3.28Å; R214-E262 IonicContact NH1-OE2 3.74Å; R214-E262 PolarHBondContact NH1-OE2 3.34Å; R214-E262 IonicContact NH2-OE1 2.78Å; R214-E262 IonicContact NH2-OE2 3.94Å; R214-E262 PolarHBondContact NH2-OE2 2.92Å
215I97.9Very high96.4Very high0 Ų036.1 Ų36.10%019%0.189CC..EExtended strand (participates in β ladder)trans-112.8114170.2-47.8177.8000107.2C77 C91 F92 V97 L213 L217 L222C77-I215 HydrophobicContact CB-CD1 4.13Å; C91-I215 HydrophobicContact CB-CG2 3.73Å; F92-I215 HydrophobicContact CE2-CD1 3.98Å; F92-I215 HydrophobicContact CZ-CD1 4.33Å; V97-I215 HydrophobicContact CG1-CG1 4.31Å; V97-I215 HydrophobicContact CG2-CG1 4.33Å; V97-I215 HydrophobicContact CG2-CG2 4.2Å; L213-I215 HydrophobicContact CD1-CG1 4.1Å; L213-I215 HydrophobicContact CD2-CD1 4.33Å; L213-I215 HydrophobicContact CG-CG1 4.18Å; I215-L217 HydrophobicContact CB-CD1 4.26Å; I215-L217 HydrophobicContact CB-CG 4.12Å; I215-L217 HydrophobicContact CG2-CD1 4.1Å; I215-L217 HydrophobicContact CG2-CD2 3.84Å; I215-L217 HydrophobicContact CG2-CG 3.63Å; I215-L217 PolarHBondContact O-N 3.17Å; I215-L222 HydrophobicContact CB-CB 4.32Å; I215-L222 HydrophobicContact CD1-CD2 4.32Å; I215-L222 HydrophobicContact CG1-CD2 4.27Å; I215-L222 PolarHBondContact N-O 2.9Å; I215-L222 PolarHBondContact O-N 2.84Å
216P95.9Very high96.4Very high19 Ų1936 Ų3612%0.12319%0.19CC..  trans-75.373.518031.4-34.1000110.2E262P216-E262 VanDerWaalsContact CB-OE1 3.26Å; P216-E262 WeakPolarHBondContact CB-OE1 3.47Å
217L94.6Very high96.3Very high12 Ų1237.1 Ų37.16%0.06320%0.203CC..  trans-84.2150175.9-64.1166.3000109.9Y20 R87 I215 Q220 Q221 L222Y20-L217 HydrophobicContact CD2-CD1 3.91Å; Y20-L217 HydrophobicContact CE1-CD1 4.21Å; Y20-L217 HydrophobicContact CE2-CD1 3.31Å; Y20-L217 HydrophobicContact CE2-CG 4.48Å; Y20-L217 VanDerWaalsContact CZ-CD1 3.48Å; Y20-L217 WeakPolarHBondContact OH-CD2 3.36Å; R87-L217 HydrophobicContact CB-CD2 3.87Å; I215-L217 HydrophobicContact CB-CD1 4.26Å; I215-L217 HydrophobicContact CB-CG 4.12Å; I215-L217 HydrophobicContact CG2-CD1 4.1Å; I215-L217 HydrophobicContact CG2-CD2 3.84Å; I215-L217 HydrophobicContact CG2-CG 3.63Å; I215-L217 PolarHBondContact O-N 3.17Å; L217-Q220 CarbonylContact C-O 3.54Å; L217-Q220 WeakPolarHBondContact CB-O 3.39Å; L217-Q220 CarbonylContact O-C 3.33Å; L217-Q220 PolarHBondContact O-N 2.74Å; L217-Q221 PolarHBondContact O-N 3.31Å; L217-Q221 VanDerWaalsContact O-N 3.16Å; L217-L222 HydrophobicContact CD1-CB 3.88Å; L217-L222 HydrophobicContact CD1-CD1 4.45Å
218E88Confident96.3Very high154 Ų15438.7 Ų38.772%0.7221%0.211SC*.SBendtrans-103.7143171.8-69.8-63.7157.600109.8Q220E218-Q220 VanDerWaalsContact C-N 3.35Å
219P86.8Confident96.2Very high130 Ų13038.5 Ų38.584%0.84421%0.21SC*.SBendcis-81.4-8.10.834.2-36.8000114.2
220Q89.6Confident96.2Very high146 Ų14638.6 Ų38.668%0.68221%0.211SC*.SBendtrans-131128.6-176.4-174.7175.78.600110.4L217 E218L217-Q220 CarbonylContact C-O 3.54Å; L217-Q220 WeakPolarHBondContact CB-O 3.39Å; L217-Q220 CarbonylContact O-C 3.33Å; L217-Q220 PolarHBondContact O-N 2.74Å; E218-Q220 VanDerWaalsContact C-N 3.35Å
221Q94.8Very high96.1Very high74 Ų7441 Ų4135%0.34622%0.222SC..  trans-63.6144.7174.968.5-177.4-36.400111.1L217L217-Q221 PolarHBondContact O-N 3.31Å; L217-Q221 VanDerWaalsContact O-N 3.16Å
222L97.6Very high96Very high2 Ų242.6 Ų42.61%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-90.5113.8164.9-179.6161.2000107.3Y15 Y20 V22 L213 R214 I215 L217 V224Y15-L222 HydrophobicContact CD1-CD1 4.2Å; Y15-L222 HydrophobicContact CD1-CG 4.44Å; Y15-L222 HydrophobicContact CE1-CD1 4.15Å; Y15-L222 HydrophobicContact CE1-CG 4.41Å; Y20-L222 HydrophobicContact CD2-CD1 4.35Å; Y20-L222 HydrophobicContact CG-CD1 4Å; V22-L222 HydrophobicContact CG2-CD1 3.9Å; V22-L222 HydrophobicContact CG2-CD2 4.03Å; V22-L222 HydrophobicContact CG2-CG 4.34Å; L213-L222 HydrophobicContact CD2-CD2 4.41Å; L213-L222 HydrophobicContact CG-CD2 4.46Å; R214-L222 CarbonylContact C-O 3.42Å; R214-L222 VanDerWaalsContact CA-O 3.28Å; R214-L222 WeakPolarHBondContact CA-O 3.19Å; I215-L222 HydrophobicContact CB-CB 4.32Å; I215-L222 HydrophobicContact CD1-CD2 4.32Å; I215-L222 HydrophobicContact CG1-CD2 4.27Å; I215-L222 PolarHBondContact N-O 2.9Å; I215-L222 PolarHBondContact O-N 2.84Å; L217-L222 HydrophobicContact CD1-CB 3.88Å; L217-L222 HydrophobicContact CD1-CD1 4.45Å; L222-V224 HydrophobicContact CD2-CG1 4.02Å; L222-V224 HydrophobicContact CD2-CG2 3.99Å; L222-V224 HydrophobicContact CG-CG1 4.5Å
223L98.1Very high95.8Very high75 Ų7548.5 Ų48.539%0.39327%0.272SS..EExtended strand (participates in β ladder)trans-127.8118.2176.317563.9000108.4L212 R214 L255L212-L223 HydrophobicContact CD1-CD1 3.75Å; R214-L223 HydrophobicContact CB-CD1 3.88Å; R214-L223 HydrophobicContact CG-CD1 4.19Å; L223-L255 HydrophobicContact CD1-CD1 4.28Å; L223-L255 HydrophobicContact CD1-CD2 3.82Å; L223-L255 HydrophobicContact CD2-CD1 4.32Å
224V98.1Very high95.6Very high10 Ų1050 Ų506%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-136.7140.3-176.7-62.90000110.4Y15 V22 A75 L213 L222Y15-V224 HydrophobicContact CD2-CG1 4.35Å; Y15-V224 HydrophobicContact CG-CG1 4.03Å; V22-V224 HydrophobicContact CB-CG1 4.5Å; V22-V224 HydrophobicContact CG1-CG2 3.97Å; V22-V224 HydrophobicContact CG2-CG1 4.2Å; V22-V224 HydrophobicContact CG2-CG2 4.33Å; A75-V224 HydrophobicContact CB-CG2 4.33Å; L213-V224 HydrophobicContact CB-CG2 3.72Å; L213-V224 HydrophobicContact CD2-CG2 4.35Å; L213-V224 HydrophobicContact CG-CG2 4.35Å; L213-V224 PolarHBondContact N-O 3.28Å; L213-V224 WeakPolarHBondContact O-CG2 3.45Å; L213-V224 PolarHBondContact O-N 2.95Å; L222-V224 HydrophobicContact CD2-CG1 4.02Å; L222-V224 HydrophobicContact CD2-CG2 3.99Å; L222-V224 HydrophobicContact CG-CG1 4.5Å
225T98.1Very high95.5Very high73 Ų7350 Ų5045%0.44828%0.282SS..EExtended strand (participates in β ladder)trans-118.2128.1169.147.60000108.9Y211 L212Y211-T225 HydrophobicContact CE1-CG2 3.99Å; Y211-T225 CarbonylContact O-C 3.39Å; Y211-T225 VanDerWaalsContact O-CA 3.31Å; Y211-T225 WeakPolarHBondContact O-CA 3.22Å; L212-T225 HydrophobicContact CD1-CG2 3.64Å
226A97.5Very high95.4Very high3 Ų355 Ų553%0.02531%0.314CS..  trans-76.3163.1165.400000109.7L14 H209 Y211L14-A226 HydrophobicContact CD1-CB 3.81Å; H209-A226 WeakPolarHBondContact NE2-CB 3.1Å; Y211-A226 VanDerWaalsContact CD2-O 3.23Å; Y211-A226 WeakPolarHBondContact CD2-O 3.28Å; Y211-A226 WeakPolarHBondContact CE2-O 3.49Å; Y211-A226 PolarHBondContact O-N 3.18Å
227G96.9Very high95.5Very high29 Ų2957.8 Ų57.830%0.29932%0.324SS..  trans-77141.5176.200000111M1 H209 P229M1-G227 VanDerWaalsContact CE-O 3.22Å; M1-G227 WeakPolarHBondContact CE-O 3.32Å; H209-G227 PolarHBondContact NE2-O 2.97Å; G227-P229 WeakPolarHBondContact O-CD 3.49Å
228D97.8Very high95.7Very high32 Ų3257.2 Ų57.217%0.17132%0.322CS..  trans-63.5114.4176.7-177.10.4000111.3L102 K165 F230 I231 L247L102-D228 HydrophobicContact CD1-CB 3.86Å; L102-D228 VanDerWaalsContact CD1-CG 3.49Å; L102-D228 WeakPolarHBondContact CD1-OD1 3.43Å; K165-D228 WeakPolarHBondContact CE-OD2 3.31Å; K165-D228 IonicContact NZ-OD1 2.67Å; K165-D228 IonicContact NZ-OD2 3.23Å; K165-D228 PolarHBondContact NZ-OD2 2.99Å; D228-F230 PolarHBondContact OD1-N 3.47Å; D228-I231 HydrophobicContact CB-CG2 4.31Å; D228-L247 HydrophobicContact CB-CD2 4.24Å
229P97.3Very high96.2Very high1 Ų153.4 Ų53.41%0.00631%0.308CS..  trans-84.4-13.2177.333.3-31.9000113.6M1 H209 G227 I231 V234M1-P229 HydrophobicContact CB-CB 4.44Å; M1-P229 HydrophobicContact CE-CB 3.63Å; M1-P229 HydrophobicContact CE-CG 3.75Å; M1-P229 HydrophobicContact SD-CB 3.75Å; M1-P229 HydrophobicContact SD-CG 4.26Å; H209-P229 HydrophobicContact CB-CG 3.83Å; H209-P229 VanDerWaalsContact CD2-CD 3.47Å; H209-P229 WeakPolarHBondContact CD2-CD 3.21Å; G227-P229 WeakPolarHBondContact O-CD 3.49Å; P229-I231 VanDerWaalsContact C-N 3.32Å; P229-I231 PolarHBondContact O-N 3.5Å; P229-V234 WeakPolarHBondContact O-CG1 3.41Å
230F97.6Very high96.7Very high2 Ų249.4 Ų49.41%0.00928%0.283CS..  trans-98.162-173.6-50.3-41.3000110L102 L104 K165 M207 H209 D228 W238L102-F230 HydrophobicContact CB-CD2 3.85Å; L102-F230 HydrophobicContact CB-CE2 3.88Å; L102-F230 WeakPolarHBondContact O-CE2 3.39Å; L104-F230 HydrophobicContact CD1-CB 4.38Å; L104-F230 HydrophobicContact CD1-CG 4.5Å; L104-F230 HydrophobicContact CD2-CB 4.31Å; L104-F230 HydrophobicContact CG-CB 4.19Å; L104-F230 HydrophobicContact CG-CD2 4.49Å; L104-F230 HydrophobicContact CG-CG 4.17Å; K165-F230 PolarHBondContact NZ-O 2.87Å; M207-F230 HydrophobicContact CB-CD1 4.5Å; M207-F230 HydrophobicContact CB-CE1 3.94Å; M207-F230 HydrophobicContact CB-CZ 4.01Å; M207-F230 HydrophobicContact CG-CE1 4.3Å; M207-F230 HydrophobicContact SD-CD1 3.73Å; M207-F230 HydrophobicContact SD-CE1 3.41Å; M207-F230 WeakPolarHBondContact SD-CE1 3.4Å; M207-F230 HydrophobicContact SD-CZ 4.37Å; H209-F230 HydrophobicContact CB-CE2 3.79Å; H209-F230 HydrophobicContact CB-CZ 3.77Å; D228-F230 PolarHBondContact OD1-N 3.47Å; F230-W238 VanDerWaalsContact O-CD1 3.26Å; F230-W238 PolarHBondContact O-NE1 3.31Å
231I97Very high97.1Very high54 Ų5448 Ų4828%0.27728%0.276SS..SBendtrans-127.1146.417859.9177.7000109.9D228 P229 T233 V234 D235D228-I231 HydrophobicContact CB-CG2 4.31Å; P229-I231 VanDerWaalsContact C-N 3.32Å; P229-I231 PolarHBondContact O-N 3.5Å; I231-T233 WeakPolarHBondContact CD1-OG1 3.21Å; I231-T233 PolarHBondContact O-N 2.88Å; I231-T233 VanDerWaalsContact O-N 3.07Å; I231-V234 HydrophobicContact CD1-CG2 3.84Å; I231-V234 HydrophobicContact CG1-CB 3.91Å; I231-V234 HydrophobicContact CG1-CG2 3.6Å; I231-V234 PolarHBondContact O-N 2.76Å; I231-D235 PolarHBondContact O-N 3.42Å
232P96.5Very high97.2Very high58 Ų5851.4 Ų51.438%0.37729%0.286SS..THydrogen-bonded Turntrans-59-26.3-174.7-27.736.4000114.8V234 D235 P236 P240P232-V234 VanDerWaalsContact C-N 3.32Å; P232-D235 WeakPolarHBondContact CA-O 3.39Å; P232-D235 CarbonylContact O-C 3.42Å; P232-P236 WeakPolarHBondContact O-CA 3.33Å; P232-P240 HydrophobicContact CG-CG 3.85Å
233T95.8Very high97.2Very high127 Ų12754.9 Ų54.978%0.77931%0.31SS*.THydrogen-bonded Turntrans-75-21.3178.6520000113.4I231I231-T233 WeakPolarHBondContact CD1-OG1 3.21Å; I231-T233 PolarHBondContact O-N 2.88Å; I231-T233 VanDerWaalsContact O-N 3.07Å
234V94.5Very high97.1Very high37 Ų3753.4 Ų53.422%0.22430%0.302CS..THydrogen-bonded Turntrans-94.2-42.2175170.70000110.2M1 P229 I231 P232M1-V234 WeakPolarHBondContact O-CG1 3.26Å; P229-V234 WeakPolarHBondContact O-CG1 3.41Å; I231-V234 HydrophobicContact CD1-CG2 3.84Å; I231-V234 HydrophobicContact CG1-CB 3.91Å; I231-V234 HydrophobicContact CG1-CG2 3.6Å; I231-V234 PolarHBondContact O-N 2.76Å; P232-V234 VanDerWaalsContact C-N 3.32Å
235D95.8Very high96.9Very high11 Ų1156 Ų566%0.05931%0.311CS..  trans-135.2102.9178.1-177.1-0.6000110.3Y158 Y204 I231 P232 K237 W238Y158-D235 WeakPolarHBondContact CE2-OD2 3.26Å; Y158-D235 PolarHBondContact OH-OD2 3.26Å; Y204-D235 HydrophobicContact CE1-CB 4.44Å; Y204-D235 WeakPolarHBondContact CE1-OD2 3.02Å; I231-D235 PolarHBondContact O-N 3.42Å; P232-D235 WeakPolarHBondContact CA-O 3.39Å; P232-D235 CarbonylContact O-C 3.42Å; D235-K237 PolarHBondContact O-N 3.42Å; D235-K237 VanDerWaalsContact OD1-CB 3.3Å; D235-K237 WeakPolarHBondContact OD1-CB 3.47Å; D235-K237 PolarHBondContact OD1-N 2.93Å; D235-W238 PolarHBondContact O-N 2.98Å
236P96.3Very high96.9Very high105 Ų10556.1 Ų56.168%0.68231%0.312SS*.THydrogen-bonded Turntrans-70.3-10.2-177.529.5-35.4000113.3P232 W238P232-P236 WeakPolarHBondContact O-CA 3.33Å; P236-W238 PolarHBondContact O-N 2.96Å
237K97.1Very high96.8Very high78 Ų7856.9 Ų56.934%0.33932%0.315SS..THydrogen-bonded Turntrans-68.1-27.9173.1-67-171.3169.7-156.40111.9Y158 D159 D235Y158-K237 VanDerWaalsContact CA-O 3.31Å; Y158-K237 WeakPolarHBondContact CA-O 3.27Å; Y158-K237 HydrophobicContact CD2-CB 4.16Å; Y158-K237 HydrophobicContact CE1-CB 4.35Å; Y158-K237 HydrophobicContact CE1-CD 4.2Å; Y158-K237 HydrophobicContact CE2-CB 3.81Å; D159-K237 HydrophobicContact CB-CD 4.27Å; D159-K237 PolarHBondContact N-O 3.22Å; D159-K237 VanDerWaalsContact N-O 3.08Å; D159-K237 IonicContact OD1-NZ 2.9Å; D159-K237 IonicContact OD2-NZ 3.78Å; D159-K237 PolarHBondContact OD2-NZ 2.81Å; D235-K237 PolarHBondContact O-N 3.42Å; D235-K237 VanDerWaalsContact OD1-CB 3.3Å; D235-K237 WeakPolarHBondContact OD1-CB 3.47Å; D235-K237 PolarHBondContact OD1-N 2.93Å
238W98Very high96.8Very high1 Ų161.1 Ų61.10%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-81.4116.9172.8167.7-125.7000110.4L104 E154 V157 Y158 V163 K165 F230 D235 P236 P240L104-W238 HydrophobicContact CD1-CB 4.25Å; L104-W238 HydrophobicContact CD1-CD2 4.32Å; L104-W238 HydrophobicContact CD1-CE3 4.42Å; L104-W238 HydrophobicContact CD1-CG 4.25Å; L104-W238 HydrophobicContact CD2-CD2 4.06Å; L104-W238 HydrophobicContact CD2-CE3 4.13Å; L104-W238 HydrophobicContact CD2-CH2 4.46Å; L104-W238 HydrophobicContact CD2-CZ2 4.36Å; L104-W238 HydrophobicContact CD2-CZ3 4.37Å; E154-W238 HydrophobicContact CB-CH2 4.49Å; E154-W238 HydrophobicContact CB-CZ2 4.19Å; V157-W238 VanDerWaalsContact O-CE3 3.23Å; Y158-W238 HydrophobicContact CD2-CB 4.13Å; V163-W238 HydrophobicContact CG2-CE3 3.61Å; V163-W238 HydrophobicContact CG2-CH2 4.3Å; V163-W238 HydrophobicContact CG2-CZ3 3.26Å; K165-W238 HydrophobicContact CB-CH2 4.33Å; K165-W238 HydrophobicContact CB-CZ2 4.05Å; K165-W238 HydrophobicContact CD-CZ2 4.22Å; F230-W238 VanDerWaalsContact O-CD1 3.26Å; F230-W238 PolarHBondContact O-NE1 3.31Å; D235-W238 PolarHBondContact O-N 2.98Å; P236-W238 PolarHBondContact O-N 2.96Å; W238-P240 HydrophobicContact CH2-CB 4.22Å; W238-P240 HydrophobicContact CZ2-CB 3.64Å; W238-P240 HydrophobicContact CZ2-CG 4.48Å
239V98.4Very high96.8Very high73 Ų7361.9 Ų61.944%0.44234%0.338SS..EExtended strand (participates in β ladder)trans-121.699.6178-174.60000109.2G156 V157G156-V239 VanDerWaalsContact CA-O 3.28Å; G156-V239 WeakPolarHBondContact CA-O 3.42Å; V157-V239 HydrophobicContact CG2-CB 3.83Å; V157-V239 HydrophobicContact CG2-CG2 4.42Å; V157-V239 PolarHBondContact N-O 3.44Å; V157-V239 PolarHBondContact O-N 3.23Å
240P97.9Very high96.8Very high47 Ų4762.3 Ų62.331%0.30534%0.341SS..EExtended strand (participates in β ladder)trans-66.6139.4175.127.4-33.3000110.1P232 W238P232-P240 HydrophobicContact CG-CG 3.85Å; W238-P240 HydrophobicContact CH2-CB 4.22Å; W238-P240 HydrophobicContact CZ2-CB 3.64Å; W238-P240 HydrophobicContact CZ2-CG 4.48Å
241Q98.1Very high96.8Very high115 Ų11562.8 Ų62.854%0.53734%0.344SS..EExtended strand (participates in β ladder)trans-120.5-34.3-178.6-66.9177.2-26.400112.4Y155Y155-Q241 PolarHBondContact O-N 3.23Å
242R97.4Very high96.8Very high146 Ų14666 Ų6655%0.55136%0.358SS*.EExtended strand (participates in β ladder)trans-143.4121.5-179.3177.1179.4170.9-164.6-5110.2E154 Y155 L244E154-R242 CarbonylContact C-O 3.49Å; E154-R242 VanDerWaalsContact CA-O 3.26Å; E154-R242 WeakPolarHBondContact CA-O 3.44Å; Y155-R242 HydrophobicContact CD2-CB 4.45Å; Y155-R242 HydrophobicContact CD2-CG 4.39Å; Y155-R242 PolarHBondContact N-O 3.23Å; Y155-R242 PolarHBondContact O-N 2.87Å; R242-L244 HydrophobicContact CG-CD2 4.48Å
243S96.8Very high96.8Very high75 Ų7565.8 Ų65.852%0.52436%0.361SS..EExtended strand (participates in β ladder)trans-94.3134.6171.5-171.80000110.2
244L96.3Very high96.8Very high44 Ų4460 Ų6023%0.2333%0.325CS..SBendtrans-99.8-38.6173.9-64.8-173000112.1E112 V152 L153 Y155 R242E112-L244 HydrophobicContact CB-CD1 4.13Å; E112-L244 HydrophobicContact CG-CD1 3.67Å; V152-L244 HydrophobicContact CB-CD1 4.06Å; V152-L244 HydrophobicContact CG1-CD1 3.67Å; V152-L244 HydrophobicContact CG1-CG 4.5Å; L153-L244 PolarHBondContact O-N 3.29Å; Y155-L244 HydrophobicContact CD2-CD1 4.48Å; Y155-L244 HydrophobicContact CD2-CG 4.33Å; Y155-L244 HydrophobicContact CE2-CD1 3.63Å; Y155-L244 HydrophobicContact CE2-CD2 4.09Å; Y155-L244 HydrophobicContact CE2-CG 3.89Å; R242-L244 HydrophobicContact CG-CD2 4.48Å
245R95.1Very high96.9Very high66 Ų6659.3 Ų59.325%0.24932%0.32CS..SBendtrans-155.2149.9-176.258.5-170.574.1171.85.6110.2E112 T113 V152 L153 T250E112-R245 VanDerWaalsContact CB-NH2 3.3Å; E112-R245 IonicContact OE2-NH2 2.72Å; E112-R245 PolarHBondContact OE2-NH2 3.36Å; T113-R245 PolarHBondContact OG1-NH1 3.09Å; V152-R245 VanDerWaalsContact O-CD 3.23Å; V152-R245 WeakPolarHBondContact O-CD 3.48Å; V152-R245 WeakPolarHBondContact O-CG 3.41Å; V152-R245 PolarHBondContact O-NE 3.17Å; L153-R245 HydrophobicContact CD2-CG 3.87Å; L153-R245 PolarHBondContact O-N 2.93Å; R245-T250 WeakPolarHBondContact CD-OG1 3.45Å
246T96.4Very high96.8Very high75 Ų7564.8 Ų64.846%0.4635%0.345SS..  trans-74.3149.4175.658.70000110.6E248 A249 T250T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 PolarHBondContact O-N 2.96Å; T246-A249 WeakPolarHBondContact OG1-CB 3.25Å; T246-A249 PolarHBondContact OG1-N 3.29Å; T246-T250 PolarHBondContact O-N 2.87Å; T246-T250 PolarHBondContact O-OG1 2.85Å
247L97Very high96.7Very high19 Ų1964.2 Ų64.210%0.09933%0.333CS..Hα-helixtrans-61.7-40.8175.4177.552.7000111.2L102 L153 L167 Y211 D228 T250 V251L102-L247 HydrophobicContact CD1-CD2 3.9Å; L102-L247 HydrophobicContact CD2-CD1 3.71Å; L102-L247 HydrophobicContact CD2-CD2 4.31Å; L153-L247 HydrophobicContact CD1-CD1 4.04Å; L167-L247 HydrophobicContact CD1-CD1 3.85Å; Y211-L247 HydrophobicContact CD1-CD1 4.48Å; Y211-L247 HydrophobicContact CE1-CD1 4.13Å; Y211-L247 HydrophobicContact CE1-CD2 4.22Å; Y211-L247 HydrophobicContact CE1-CG 4.24Å; Y211-L247 HydrophobicContact CE2-CD2 3.82Å; D228-L247 HydrophobicContact CB-CD2 4.24Å; L247-T250 PolarHBondContact O-N 3.35Å; L247-V251 HydrophobicContact CD1-CG2 3.87Å; L247-V251 HydrophobicContact CG-CG2 4.36Å; L247-V251 WeakPolarHBondContact O-CB 3.45Å; L247-V251 WeakPolarHBondContact O-CG2 3.29Å; L247-V251 PolarHBondContact O-N 3.27Å
248E96.7Very high96.3Very high118 Ų11861.3 Ų61.355%0.55132%0.323SS*.Hα-helixtrans-59-57.9-178.6-64.371.1-156.100111.1T246 T250 V251 E252T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 PolarHBondContact O-N 2.96Å; E248-T250 PolarHBondContact O-N 2.87Å; E248-V251 PolarHBondContact O-N 3.46Å; E248-V251 VanDerWaalsContact O-N 3.08Å; E248-E252 PolarHBondContact O-N 3.17Å
249A96.4Very high95.9Very high48 Ų4865.8 Ų65.840%0.39734%0.343SS..Hα-helixtrans-58.4-35.5177.900000112.9T246 A253T246-A249 WeakPolarHBondContact OG1-CB 3.25Å; T246-A249 PolarHBondContact OG1-N 3.29Å; A249-A253 PolarHBondContact O-N 3.31Å; A249-A253 VanDerWaalsContact O-N 3.1Å
250T97.3Very high95.5Very high9 Ų965.7 Ų65.76%0.05534%0.342CS..Hα-helixtrans-67.5-40.9177.6-55.30000111.3I151 L153 L167 R245 T246 L247 E248 A253 V254I151-T250 HydrophobicContact CB-CG2 4.3Å; I151-T250 HydrophobicContact CD1-CG2 3.94Å; I151-T250 HydrophobicContact CG2-CG2 3.62Å; L153-T250 HydrophobicContact CD2-CG2 4.07Å; L153-T250 WeakPolarHBondContact CD2-OG1 3.46Å; L167-T250 HydrophobicContact CB-CG2 4.26Å; L167-T250 HydrophobicContact CD1-CG2 4.05Å; L167-T250 HydrophobicContact CD2-CG2 4.14Å; L167-T250 HydrophobicContact CG-CG2 4.38Å; R245-T250 WeakPolarHBondContact CD-OG1 3.45Å; T246-T250 PolarHBondContact O-N 2.87Å; T246-T250 PolarHBondContact O-OG1 2.85Å; L247-T250 PolarHBondContact O-N 3.35Å; E248-T250 PolarHBondContact O-N 2.87Å; T250-A253 PolarHBondContact O-N 3.46Å; T250-V254 WeakPolarHBondContact O-CG2 3.39Å; T250-V254 PolarHBondContact O-N 3.3Å
251V97.4Very high95Very high13 Ų1366.9 Ų66.98%0.07934%0.343CS..Hα-helixtrans-67.7-41.3178168.10000111.2L167 Y211 L212 L247 E248 V254 L255L167-V251 HydrophobicContact CD1-CG2 3.96Å; Y211-V251 HydrophobicContact CD1-CG2 4.22Å; Y211-V251 HydrophobicContact CE1-CG2 3.6Å; L212-V251 HydrophobicContact CD1-CG1 4.13Å; L212-V251 HydrophobicContact CD2-CG1 4.17Å; L247-V251 HydrophobicContact CD1-CG2 3.87Å; L247-V251 HydrophobicContact CG-CG2 4.36Å; L247-V251 WeakPolarHBondContact O-CB 3.45Å; L247-V251 WeakPolarHBondContact O-CG2 3.29Å; L247-V251 PolarHBondContact O-N 3.27Å; E248-V251 PolarHBondContact O-N 3.46Å; E248-V251 VanDerWaalsContact O-N 3.08Å; V251-V254 PolarHBondContact O-N 2.92Å; V251-L255 HydrophobicContact CG1-CD1 4.02Å; V251-L255 HydrophobicContact CG1-CG 4.48Å; V251-L255 WeakPolarHBondContact O-CG 3.38Å; V251-L255 PolarHBondContact O-N 3.44Å
252E97.1Very high94.4Very high121 Ų12163.5 Ų63.557%0.56533%0.327SS*.Hα-helixtrans-57.2-49.5173.9-73.3177.5172.900111E248 V254 L255 E256E248-E252 PolarHBondContact O-N 3.17Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 3.47Å; E252-L255 PolarHBondContact O-N 2.92Å; E252-L255 VanDerWaalsContact O-N 3.13Å; E252-E256 WeakPolarHBondContact O-CG 3.37Å; E252-E256 PolarHBondContact O-N 3.47Å
253A96.3Very high93.9Very high54 Ų5463.3 Ų63.345%0.44633%0.33SS..Hα-helixtrans-59.5-40.9176.900000112.9A249 T250 E256 H257A249-A253 PolarHBondContact O-N 3.31Å; A249-A253 VanDerWaalsContact O-N 3.1Å; T250-A253 PolarHBondContact O-N 3.46Å; A253-E256 PolarHBondContact O-N 3.15Å; A253-H257 WeakPolarHBondContact O-CB 3.43Å; A253-H257 PolarHBondContact O-N 2.95Å
254V96.2Very high93.5Very high5 Ų565.5 Ų65.53%0.0333%0.332CS..Hα-helixtrans-61.8-43.1175.5165.60000111.5T98 I151 L167 Q169 L212 T250 V251 E252 S258T98-V254 HydrophobicContact CG2-CG1 3.82Å; I151-V254 HydrophobicContact CD1-CG2 4.42Å; L167-V254 HydrophobicContact CD2-CG2 3.95Å; Q169-V254 HydrophobicContact CG-CG1 4.41Å; L212-V254 HydrophobicContact CD2-CG1 4.13Å; T250-V254 WeakPolarHBondContact O-CG2 3.39Å; T250-V254 PolarHBondContact O-N 3.3Å; V251-V254 PolarHBondContact O-N 2.92Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 3.47Å; V254-S258 WeakPolarHBondContact O-CB 3.39Å; V254-S258 PolarHBondContact O-N 3.18Å
255L96.3Very high92.9Very high22 Ų2269.5 Ų69.512%0.11534%0.344CS..Hα-helixtrans-69.3-41.2179.3-71.5171.6000111.9L212 R214 L223 V251 E252 S258 K259L212-L255 HydrophobicContact CD1-CD2 4.48Å; L212-L255 HydrophobicContact CD2-CD2 4.1Å; L212-L255 HydrophobicContact CD2-CG 4.29Å; R214-L255 HydrophobicContact CB-CD2 4.32Å; L223-L255 HydrophobicContact CD1-CD1 4.28Å; L223-L255 HydrophobicContact CD1-CD2 3.82Å; L223-L255 HydrophobicContact CD2-CD1 4.32Å; V251-L255 HydrophobicContact CG1-CD1 4.02Å; V251-L255 HydrophobicContact CG1-CG 4.48Å; V251-L255 WeakPolarHBondContact O-CG 3.38Å; V251-L255 PolarHBondContact O-N 3.44Å; E252-L255 PolarHBondContact O-N 2.92Å; E252-L255 VanDerWaalsContact O-N 3.13Å; L255-S258 PolarHBondContact O-N 3.11Å; L255-K259 WeakPolarHBondContact O-CG 3.43Å; L255-K259 PolarHBondContact O-N 3.42Å
256E95.3Very high92.3Very high126 Ų12672.1 Ų72.159%0.58936%0.359SS*.Hα-helixtrans-61.1-49.5175.3-74.3-178.5171.700111.5E252 A253 S258 K259 T260E252-E256 WeakPolarHBondContact O-CG 3.37Å; E252-E256 PolarHBondContact O-N 3.47Å; A253-E256 PolarHBondContact O-N 3.15Å; E256-S258 VanDerWaalsContact C-N 3.27Å; E256-S258 PolarHBondContact O-N 3.08Å; E256-K259 PolarHBondContact O-N 3.13Å; E256-K259 VanDerWaalsContact O-N 3.15Å; E256-T260 PolarHBondContact O-N 3.33Å; E256-T260 PolarHBondContact O-OG1 2.88Å; E256-T260 VanDerWaalsContact O-OG1 3.14Å
257H92.5Very high91.8Very high93 Ų9372.4 Ų72.443%0.43136%0.361SS..Hα-helixtrans-58.7-40.9176.6-171.153.6000112.1A253 T260 K261A253-H257 WeakPolarHBondContact O-CB 3.43Å; A253-H257 PolarHBondContact O-N 2.95Å; H257-T260 PolarHBondContact O-N 2.98Å; H257-K261 VanDerWaalsContact NE2-CE 3.34Å; H257-K261 WeakPolarHBondContact NE2-CE 3.15Å; H257-K261 PolarHBondContact NE2-NZ 3.28Å; H257-K261 PolarHBondContact O-N 3.49Å
258S90.3Very high91Very high18 Ų1874.3 Ų74.313%0.12638%0.379CS..Hα-helixtrans-64.8-40.4177.2-1690000112.7T98 V254 L255 E256 E262T98-S258 WeakPolarHBondContact OG1-CB 3.41Å; T98-S258 PolarHBondContact OG1-OG 3.24Å; V254-S258 WeakPolarHBondContact O-CB 3.39Å; V254-S258 PolarHBondContact O-N 3.18Å; L255-S258 PolarHBondContact O-N 3.11Å; E256-S258 VanDerWaalsContact C-N 3.27Å; E256-S258 PolarHBondContact O-N 3.08Å; S258-E262 WeakPolarHBondContact O-CB 3.48Å; S258-E262 PolarHBondContact O-N 3.31Å
259K89.6Confident90.3Very high94 Ų9476.9 Ų76.941%0.40938%0.384SS..Hα-helixtrans-66.8-38.3176.9-73.2171.1-176.8173.30111.5L255 E256 E262 K263L255-K259 WeakPolarHBondContact O-CG 3.43Å; L255-K259 PolarHBondContact O-N 3.42Å; E256-K259 PolarHBondContact O-N 3.13Å; E256-K259 VanDerWaalsContact O-N 3.15Å; K259-E262 PolarHBondContact O-N 3.2Å; K259-K263 WeakPolarHBondContact O-CG 3.37Å; K259-K263 PolarHBondContact O-N 3.4Å
260T90.1Very high89.3Confident72 Ų7276.9 Ų76.944%0.44238%0.381SS..Hα-helixtrans-62.8-49.2176.1-59.40000110.9E256 H257 E262 K263 E264E256-T260 PolarHBondContact O-N 3.33Å; E256-T260 PolarHBondContact O-OG1 2.88Å; E256-T260 VanDerWaalsContact O-OG1 3.14Å; H257-T260 PolarHBondContact O-N 2.98Å; T260-E262 VanDerWaalsContact C-N 3.26Å; T260-E262 PolarHBondContact O-N 2.98Å; T260-K263 PolarHBondContact O-N 2.73Å; T260-E264 WeakPolarHBondContact O-CG 3.39Å; T260-E264 PolarHBondContact O-N 3.31Å
261K87.1Confident88.5Confident71 Ų7181.2 Ų81.231%0.30940%0.401SS..Hα-helixtrans-60.3-33.9175.7-76.7-174.9172.7177.60113.4H257 R265H257-K261 VanDerWaalsContact NE2-CE 3.34Å; H257-K261 WeakPolarHBondContact NE2-CE 3.15Å; H257-K261 PolarHBondContact NE2-NZ 3.28Å; H257-K261 PolarHBondContact O-N 3.49Å; K261-R265 VanDerWaalsContact O-CG 3.29Å; K261-R265 WeakPolarHBondContact O-CG 3.43Å; K261-R265 PolarHBondContact O-N 3.18Å; K261-R265 VanDerWaalsContact O-N 3.15Å
262E85.9Confident87.3Confident45 Ų4582.1 Ų82.121%0.2141%0.412CS..Hα-helixtrans-65.9-48.9176-173.8167-162.600111.3R214 P216 S258 K259 T260 E264 R265 E266R214-E262 IonicContact CZ-OE2 2.9Å; R214-E262 VanDerWaalsContact CZ-OE2 3.28Å; R214-E262 IonicContact NH1-OE2 3.74Å; R214-E262 PolarHBondContact NH1-OE2 3.34Å; R214-E262 IonicContact NH2-OE1 2.78Å; R214-E262 IonicContact NH2-OE2 3.94Å; R214-E262 PolarHBondContact NH2-OE2 2.92Å; P216-E262 VanDerWaalsContact CB-OE1 3.26Å; P216-E262 WeakPolarHBondContact CB-OE1 3.47Å; S258-E262 WeakPolarHBondContact O-CB 3.48Å; S258-E262 PolarHBondContact O-N 3.31Å; K259-E262 PolarHBondContact O-N 3.2Å; T260-E262 VanDerWaalsContact C-N 3.26Å; T260-E262 PolarHBondContact O-N 2.98Å; E262-E264 VanDerWaalsContact C-N 3.34Å; E262-E264 PolarHBondContact O-N 3.05Å; E262-R265 WeakPolarHBondContact O-CB 3.41Å; E262-R265 PolarHBondContact O-N 3.46Å; E262-R265 VanDerWaalsContact O-N 3.15Å; E262-E266 PolarHBondContact O-N 3.11Å
263K86.2Confident86.1Confident141 Ų14180.9 Ų80.961%0.61341%0.407SS*.Hα-helixtrans-58.2-43.6174.7-71.4176.2179-179.30112.4K259 T260 R265 E266 V267K259-K263 WeakPolarHBondContact O-CG 3.37Å; K259-K263 PolarHBondContact O-N 3.4Å; T260-K263 PolarHBondContact O-N 2.73Å; K263-R265 VanDerWaalsContact C-N 3.31Å; K263-R265 PolarHBondContact O-N 3.43Å; K263-E266 PolarHBondContact O-N 2.86Å; K263-V267 WeakPolarHBondContact O-CG2 3.27Å; K263-V267 PolarHBondContact O-N 3.18Å
264E87.6Confident84.9Confident122 Ų12285.1 Ų85.157%0.5742%0.415SS*.Hα-helixtrans-60-40.8177-72.3172.7175.300112.1T260 E262 A268T260-E264 WeakPolarHBondContact O-CG 3.39Å; T260-E264 PolarHBondContact O-N 3.31Å; E262-E264 VanDerWaalsContact C-N 3.34Å; E262-E264 PolarHBondContact O-N 3.05Å; E264-A268 WeakPolarHBondContact O-CB 3.48Å; E264-A268 PolarHBondContact O-N 3.41Å
265R84.1Confident83.6Confident128 Ų12893.3 Ų93.348%0.48345%0.445SS..Hα-helixtrans-67.3-39.6176.8-74.3174.4179.9-175.65.2112.3D94 R95 K261 E262 K263 A268 R269D94-R265 PolarHBondContact O-NH1 2.83Å; R95-R265 PolarHBondContact O-NH1 2.7Å; K261-R265 VanDerWaalsContact O-CG 3.29Å; K261-R265 WeakPolarHBondContact O-CG 3.43Å; K261-R265 PolarHBondContact O-N 3.18Å; K261-R265 VanDerWaalsContact O-N 3.15Å; E262-R265 WeakPolarHBondContact O-CB 3.41Å; E262-R265 PolarHBondContact O-N 3.46Å; E262-R265 VanDerWaalsContact O-N 3.15Å; K263-R265 VanDerWaalsContact C-N 3.31Å; K263-R265 PolarHBondContact O-N 3.43Å; R265-A268 PolarHBondContact O-N 3.43Å; R265-R269 WeakPolarHBondContact O-CB 3.34Å; R265-R269 PolarHBondContact O-N 3.03Å
266E83.5Confident82.1Confident120 Ų12099.5 Ų99.556%0.56147%0.471SS*.Hα-helixtrans-63.5-45.7175.9-73178.8167.500111.7E262 K263 R269 S270E262-E266 PolarHBondContact O-N 3.11Å; K263-E266 PolarHBondContact O-N 2.86Å; E266-R269 PolarHBondContact O-N 3.18Å; E266-S270 WeakPolarHBondContact O-CB 3.5Å; E266-S270 PolarHBondContact O-N 3.09Å
267V84.3Confident80.6Confident81 Ų8199.6 Ų99.649%0.49147%0.472SS..Hα-helixtrans-58.3-52.1175.11730000109.9K263 R269 S270 E271K263-V267 WeakPolarHBondContact O-CG2 3.27Å; K263-V267 PolarHBondContact O-N 3.18Å; V267-R269 VanDerWaalsContact C-N 3.29Å; V267-R269 PolarHBondContact O-N 3.37Å; V267-S270 PolarHBondContact O-N 3Å; V267-S270 VanDerWaalsContact O-N 3.17Å; V267-S270 PolarHBondContact O-OG 3.47Å; V267-E271 WeakPolarHBondContact O-CG 3.07Å; V267-E271 PolarHBondContact O-N 3.03Å
268A81.5Confident79Confident60 Ų6098.3 Ų98.350%0.49647%0.473SS..Hα-helixtrans-59.2-37.7179.400000113.1E264 R265 G272E264-A268 WeakPolarHBondContact O-CB 3.48Å; E264-A268 PolarHBondContact O-N 3.41Å; R265-A268 PolarHBondContact O-N 3.43Å; A268-G272 PolarHBondContact O-N 3.01Å
269R81.4Confident77.4Confident172 Ų172104.8 Ų104.865%0.64950%0.499SS*.Hα-helixtrans-67.3-45.1176.6-172.4176.5179.41662111.7R265 E266 V267 E271 G272 E273R265-R269 WeakPolarHBondContact O-CB 3.34Å; R265-R269 PolarHBondContact O-N 3.03Å; E266-R269 PolarHBondContact O-N 3.18Å; V267-R269 VanDerWaalsContact C-N 3.29Å; V267-R269 PolarHBondContact O-N 3.37Å; R269-E271 VanDerWaalsContact C-N 3.33Å; R269-E271 PolarHBondContact O-N 3.48Å; R269-G272 PolarHBondContact O-N 2.95Å; R269-E273 IonicContact NE-OE1 3.8Å; R269-E273 PolarHBondContact O-N 2.84Å
270S76.5Confident75.8Confident48 Ų48107.1 Ų107.134%0.33651%0.511SS..Hα-helixtrans-62.7-39.3178.478.60000112.3E266 V267 E273 K274E266-S270 WeakPolarHBondContact O-CB 3.5Å; E266-S270 PolarHBondContact O-N 3.09Å; V267-S270 PolarHBondContact O-N 3Å; V267-S270 VanDerWaalsContact O-N 3.17Å; V267-S270 PolarHBondContact O-OG 3.47Å; S270-E273 PolarHBondContact O-N 3.13Å; S270-K274 WeakPolarHBondContact O-CG 3.25Å; S270-K274 PolarHBondContact O-N 3.29Å
271E78.6Confident74Confident100 Ų100112 Ų11247%0.46753%0.529SS..Hα-helixtrans-68.2-39.5174.9-70.4-172.5164.200112.1V267 R269 K274 R275V267-E271 WeakPolarHBondContact O-CG 3.07Å; V267-E271 PolarHBondContact O-N 3.03Å; R269-E271 VanDerWaalsContact C-N 3.33Å; R269-E271 PolarHBondContact O-N 3.48Å; E271-K274 PolarHBondContact O-N 3.41Å; E271-R275 WeakPolarHBondContact O-CB 3.5Å; E271-R275 WeakPolarHBondContact O-CG 3.28Å; E271-R275 PolarHBondContact O-N 3.26Å
272G72.3Confident72.4Confident31 Ų31119 Ų11932%0.3255%0.553SS.*Hα-helixtrans-61.9-41.4174.600000112.9A268 R269 R275 K276A268-G272 PolarHBondContact O-N 3.01Å; R269-G272 PolarHBondContact O-N 2.95Å; G272-R275 PolarHBondContact O-N 2.86Å; G272-K276 WeakPolarHBondContact O-CG 3.33Å; G272-K276 PolarHBondContact O-N 3.12Å
273E73.1Confident70.7Confident96 Ų96122.1 Ų122.145%0.44958%0.575SS.*Hα-helixtrans-67.9-43.8176.2-75.1174.6-175.400111.9R269 S270 R275 K276 Q277R269-E273 IonicContact NE-OE1 3.8Å; R269-E273 PolarHBondContact O-N 2.84Å; S270-E273 PolarHBondContact O-N 3.13Å; E273-R275 VanDerWaalsContact C-N 3.33Å; E273-R275 PolarHBondContact O-N 3.35Å; E273-K276 PolarHBondContact O-N 2.95Å; E273-K276 VanDerWaalsContact O-N 3.16Å; E273-Q277 WeakPolarHBondContact O-CG 3.41Å; E273-Q277 PolarHBondContact O-N 2.84Å
274K71Confident69Low142 Ų142118.1 Ų118.162%0.61757%0.574SS**Hα-helixtrans-58.7-41.4172.9-74.4174.6-178176.60112.3S270 E271 Q277 S278S270-K274 WeakPolarHBondContact O-CG 3.25Å; S270-K274 PolarHBondContact O-N 3.29Å; E271-K274 PolarHBondContact O-N 3.41Å; K274-Q277 PolarHBondContact O-N 3.44Å; K274-S278 WeakPolarHBondContact O-CB 3.09Å; K274-S278 PolarHBondContact O-N 3Å
275R68.8Low67.5Low178 Ų178117.5 Ų117.567%0.67257%0.571SS**Hα-helixtrans-66-37175.6-76.3177.3179.8-177.83.1112.7E271 G272 E273 K279E271-R275 WeakPolarHBondContact O-CB 3.5Å; E271-R275 WeakPolarHBondContact O-CG 3.28Å; E271-R275 PolarHBondContact O-N 3.26Å; G272-R275 PolarHBondContact O-N 2.86Å; E273-R275 VanDerWaalsContact C-N 3.33Å; E273-R275 PolarHBondContact O-N 3.35Å; R275-K279 PolarHBondContact O-N 2.98Å
276K65.4Low66.4Low151 Ų151114.1 Ų114.166%0.65757%0.567SS**Hα-helixtrans-68.3-43.9175.3-77.6-179.8179.2-179.80111.9G272 E273 K279 Q280G272-K276 WeakPolarHBondContact O-CG 3.33Å; G272-K276 PolarHBondContact O-N 3.12Å; E273-K276 PolarHBondContact O-N 2.95Å; E273-K276 VanDerWaalsContact O-N 3.16Å; K276-K279 PolarHBondContact O-N 3.09Å; K276-Q280 PolarHBondContact O-N 3.03Å
277Q62.7Low65.2Low129 Ų129116.6 Ų116.660%0.60358%0.578SS**Hα-helixtrans-63.1-41.8175-73.2177.3-2.100111.6E273 K274 K279 Q280 H281E273-Q277 WeakPolarHBondContact O-CG 3.41Å; E273-Q277 PolarHBondContact O-N 2.84Å; K274-Q277 PolarHBondContact O-N 3.44Å; Q277-K279 PolarHBondContact O-N 3.24Å; Q277-Q280 PolarHBondContact O-N 2.78Å; Q277-H281 WeakPolarHBondContact O-CB 3.45Å; Q277-H281 PolarHBondContact O-N 3Å
278S58.4Low63.8Low65 Ų65118.9 Ų118.946%0.45558%0.584SS.*Hα-helixtrans-63.4-37.8174.9179.90000113K274 H281 R282K274-S278 WeakPolarHBondContact O-CB 3.09Å; K274-S278 PolarHBondContact O-N 3Å; S278-H281 PolarHBondContact O-N 2.55Å; S278-R282 PolarHBondContact O-N 3.25Å; S278-R282 VanDerWaalsContact O-N 3.11Å
279K57.2Low62.9Low155 Ų155121.4 Ų121.467%0.67459%0.586SS**Hα-helixtrans-67.5-42.8173.2-81.1-174.9177.2-174.70112.4R275 K276 Q277 H281 R282 T283R275-K279 PolarHBondContact O-N 2.98Å; K276-K279 PolarHBondContact O-N 3.09Å; Q277-K279 PolarHBondContact O-N 3.24Å; K279-H281 VanDerWaalsContact C-N 3.29Å; K279-H281 PolarHBondContact O-N 3.29Å; K279-R282 PolarHBondContact O-N 3.13Å; K279-T283 PolarHBondContact O-N 3.4Å; K279-T283 VanDerWaalsContact O-N 3.08Å; K279-T283 PolarHBondContact O-OG1 2.93Å
280Q56.1Low62Low142 Ų142120.2 Ų120.266%0.66458%0.581SS**Hα-helixtrans-62.7-35174.8-80.9178.2-22.600112.4K276 Q277 R282 T283K276-Q280 PolarHBondContact O-N 3.03Å; Q277-Q280 PolarHBondContact O-N 2.78Å; Q280-R282 VanDerWaalsContact C-N 3.35Å; Q280-T283 PolarHBondContact O-N 3.1Å; Q280-T283 PolarHBondContact O-OG1 3.26Å
281H53.2Low61.3Low174 Ų174124.6 Ų124.681%0.80659%0.59SS**Hα-helixtrans-73.3-25.8176.1-150.860000113.1Q277 S278 K279Q277-H281 WeakPolarHBondContact O-CB 3.45Å; Q277-H281 PolarHBondContact O-N 3Å; S278-H281 PolarHBondContact O-N 2.55Å; K279-H281 VanDerWaalsContact C-N 3.29Å; K279-H281 PolarHBondContact O-N 3.29Å
282R53.4Low60.8Low220 Ų220124 Ų12483%0.8359%0.593SS**Hα-helixtrans-82.2-19.3173.1-80.1-176.6169.8-172-2.1114S278 K279 Q280S278-R282 PolarHBondContact O-N 3.25Å; S278-R282 VanDerWaalsContact O-N 3.11Å; K279-R282 PolarHBondContact O-N 3.13Å; Q280-R282 VanDerWaalsContact C-N 3.35Å
283T49.3Very low60.2Low110 Ų110125.4 Ų125.468%0.67560%0.597SS**  trans-102.142.3175.2570000111.5K279 Q280 E285K279-T283 PolarHBondContact O-N 3.4Å; K279-T283 VanDerWaalsContact O-N 3.08Å; K279-T283 PolarHBondContact O-OG1 2.93Å; Q280-T283 PolarHBondContact O-N 3.1Å; Q280-T283 PolarHBondContact O-OG1 3.26Å; T283-E285 PolarHBondContact O-N 2.64Å
284G50.3Low59.7Low56 Ų56127.8 Ų127.858%0.57761%0.609SS**PPolyproline II helixtrans-68.8121.2161.600000108S286G284-S286 PolarHBondContact O-N 3.06Å
285E55.8Low59.3Low110 Ų110125.6 Ų125.651%0.51460%0.601SS.*PPolyproline II helixtrans-49.1128.1172.3-78176.4152.700109.5T283 Q289 R290T283-E285 PolarHBondContact O-N 2.64Å; E285-Q289 HydrophobicContact CB-CB 4.37Å; E285-R290 HydrophobicContact CB-CG 4.19Å; E285-R290 IonicContact OE2-NE 2.69Å
286S62.6Low59Low57 Ų57124.3 Ų124.340%0.39960%0.596SS.*PPolyproline II helixtrans-64.2153.5173.277.40000109.6G284 E288 Q289 R290G284-S286 PolarHBondContact O-N 3.06Å; S286-E288 PolarHBondContact O-N 3.46Å; S286-Q289 VanDerWaalsContact N-OE1 3.17Å; S286-Q289 WeakPolarHBondContact O-CB 3.49Å; S286-Q289 PolarHBondContact O-N 3.33Å; S286-Q289 PolarHBondContact OG-N 2.95Å; S286-R290 PolarHBondContact O-N 3.09Å; S286-R290 VanDerWaalsContact O-N 3.09Å
287E56.7Low58.4Low171 Ų171122.2 Ų122.280%0.79959%0.591SS**Hα-helixtrans-53.7-29.8176.3-70.3-177.2154.400112.2R290 R291E287-R290 PolarHBondContact O-N 3.4Å; E287-R291 WeakPolarHBondContact O-CB 3.32Å; E287-R291 PolarHBondContact O-N 2.92Å
288E56.4Low58.3Low129 Ų129119.8 Ų119.860%0.60359%0.589SS**Hα-helixtrans-71-38.2176.7-165142.2-152.600112.7S286 R290 R291 V292S286-E288 PolarHBondContact O-N 3.46Å; E288-R290 VanDerWaalsContact C-N 3.35Å; E288-R291 PolarHBondContact O-N 3.44Å; E288-V292 VanDerWaalsContact O-CG2 3.32Å; E288-V292 WeakPolarHBondContact O-CG2 3.5Å; E288-V292 PolarHBondContact O-N 3.28Å
289Q61.5Low58.1Low114 Ų114124 Ų12453%0.53360%0.601SS.*Hα-helixtrans-67.1-36.7173.1-70.5176.5-42.800111.8E285 S286 C293E285-Q289 HydrophobicContact CB-CB 4.37Å; S286-Q289 VanDerWaalsContact N-OE1 3.17Å; S286-Q289 WeakPolarHBondContact O-CB 3.49Å; S286-Q289 PolarHBondContact O-N 3.33Å; S286-Q289 PolarHBondContact OG-N 2.95Å; Q289-C293 WeakPolarHBondContact O-CB 3.49Å; Q289-C293 PolarHBondContact O-N 2.96Å
290R62.2Low57.8Low146 Ų146126.4 Ų126.455%0.55161%0.606SS**Hα-helixtrans-66.1-39.4172.3-78.2179.5174.9158-2.2112.4E285 S286 E287 E288 C293 Q294E285-R290 HydrophobicContact CB-CG 4.19Å; E285-R290 IonicContact OE2-NE 2.69Å; S286-R290 PolarHBondContact O-N 3.09Å; S286-R290 VanDerWaalsContact O-N 3.09Å; E287-R290 PolarHBondContact O-N 3.4Å; E288-R290 VanDerWaalsContact C-N 3.35Å; R290-C293 PolarHBondContact O-N 2.99Å; R290-Q294 WeakPolarHBondContact O-CG 3.47Å; R290-Q294 PolarHBondContact O-N 3.3Å
291R63.2Low57.6Low141 Ų141123.6 Ų123.653%0.53261%0.607SS.*Hα-helixtrans-65.5-45178-153.3-173.984.4-162.9-4111.6E287 E288 C293 Q294 E295E287-R291 WeakPolarHBondContact O-CB 3.32Å; E287-R291 PolarHBondContact O-N 2.92Å; E288-R291 PolarHBondContact O-N 3.44Å; R291-C293 VanDerWaalsContact C-N 3.32Å; R291-C293 PolarHBondContact O-N 3.02Å; R291-Q294 PolarHBondContact O-N 3.43Å; R291-E295 IonicContact CZ-OE1 3.28Å; R291-E295 IonicContact NE-OE1 3.64Å; R291-E295 PolarHBondContact NE-OE1 3.07Å; R291-E295 IonicContact NH2-OE1 3.87Å; R291-E295 PolarHBondContact O-N 3Å
292V66.4Low57.1Low86 Ų86118.6 Ų118.652%0.52160%0.602SS.*Hα-helixtrans-62.8-38.2176.2172.10000111.5E288 W296E288-V292 VanDerWaalsContact O-CG2 3.32Å; E288-V292 WeakPolarHBondContact O-CG2 3.5Å; E288-V292 PolarHBondContact O-N 3.28Å; V292-W296 WeakPolarHBondContact O-CB 3.3Å; V292-W296 PolarHBondContact O-N 3.25Å
293C59.6Low56.7Low62 Ų62119.8 Ų119.842%0.41963%0.626SS.*Hα-helixtrans-70.1-36.4176.6-159.50000112.4Q289 R290 R291 L297Q289-C293 WeakPolarHBondContact O-CB 3.49Å; Q289-C293 PolarHBondContact O-N 2.96Å; R290-C293 PolarHBondContact O-N 2.99Å; R291-C293 VanDerWaalsContact C-N 3.32Å; R291-C293 PolarHBondContact O-N 3.02Å; C293-L297 WeakPolarHBondContact O-CB 3.4Å; C293-L297 VanDerWaalsContact O-CG 3.3Å; C293-L297 WeakPolarHBondContact O-CG 3.34Å; C293-L297 PolarHBondContact O-N 2.87Å
294Q63.7Low57.1Low146 Ų146120.3 Ų120.368%0.68262%0.623SS**Hα-helixtrans-70.9-39.3173.9-77-165.1-12.900113.1R290 R291 W296 L297 S298R290-Q294 WeakPolarHBondContact O-CG 3.47Å; R290-Q294 PolarHBondContact O-N 3.3Å; R291-Q294 PolarHBondContact O-N 3.43Å; Q294-W296 VanDerWaalsContact C-N 3.34Å; Q294-L297 PolarHBondContact O-N 2.99Å; Q294-S298 WeakPolarHBondContact O-CB 3.48Å; Q294-S298 PolarHBondContact O-N 3.37Å; Q294-S298 PolarHBondContact O-OG 3.47Å
295E62.5Low57.5Low96 Ų96123.7 Ų123.745%0.44963%0.625SS.*Hα-helixtrans-59.4-46.3171.8-80.6169-175.300110.2R291 L297 S298 E299R291-E295 IonicContact CZ-OE1 3.28Å; R291-E295 IonicContact NE-OE1 3.64Å; R291-E295 PolarHBondContact NE-OE1 3.07Å; R291-E295 IonicContact NH2-OE1 3.87Å; R291-E295 PolarHBondContact O-N 3Å; E295-L297 PolarHBondContact O-N 3.42Å; E295-S298 PolarHBondContact O-N 2.68Å; E295-S298 PolarHBondContact O-OG 3.22Å; E295-E299 PolarHBondContact O-N 3.17Å
296W62.6Low57.6Low151 Ų151124.4 Ų124.457%0.57263%0.632SS**Hα-helixtrans-63.4-37.3177.7-163.174.1000113.7V292 Q294V292-W296 WeakPolarHBondContact O-CB 3.3Å; V292-W296 PolarHBondContact O-N 3.25Å; Q294-W296 VanDerWaalsContact C-N 3.34Å
297L52.6Low57.3Low106 Ų106128.4 Ų128.456%0.55565%0.645SS**Hα-helixtrans-72.2-29175.5-74.5167.5000112.9C293 Q294 E295 W300C293-L297 WeakPolarHBondContact O-CB 3.4Å; C293-L297 VanDerWaalsContact O-CG 3.3Å; C293-L297 WeakPolarHBondContact O-CG 3.34Å; C293-L297 PolarHBondContact O-N 2.87Å; Q294-L297 PolarHBondContact O-N 2.99Å; E295-L297 PolarHBondContact O-N 3.42Å; L297-W300 PolarHBondContact O-N 3.41Å
298S59.8Low57.3Low79 Ų79125.8 Ų125.855%0.55264%0.636SS**Hα-helixtrans-73.3-26.9176.570.90000113.3Q294 E295 W300 A301Q294-S298 WeakPolarHBondContact O-CB 3.48Å; Q294-S298 PolarHBondContact O-N 3.37Å; Q294-S298 PolarHBondContact O-OG 3.47Å; E295-S298 PolarHBondContact O-N 2.68Å; E295-S298 PolarHBondContact O-OG 3.22Å; S298-W300 PolarHBondContact O-N 3.45Å; S298-A301 PolarHBondContact O-N 3.38Å
299E55.9Low57.4Low154 Ų154125.5 Ų125.572%0.7264%0.638SS**THydrogen-bonded Turntrans-70.2-18.9173.7-72.6-175.616000113.3E295E295-E299 PolarHBondContact O-N 3.17Å
300W50.1Low57.1Low204 Ų204126.4 Ų126.477%0.77365%0.645SS**THydrogen-bonded Turntrans-100.3-3.3179.6-77.766.6000113.8L297 S298L297-W300 PolarHBondContact O-N 3.41Å; S298-W300 PolarHBondContact O-N 3.45Å
301A50.9Low56.7Low84 Ų84124.8 Ų124.869%0.69465%0.653SS**  trans-109.771.1175.900000109.7S298S298-A301 PolarHBondContact O-N 3.38Å
302G42.8Very low56.1Low68 Ų68123.5 Ų123.570%0.70166%0.663SS**  trans-121.1119.4169.400000110.6
303D46.4Very low55.2Low246 Ų246126.9 Ų126.9100%1.31668%0.676SS**  trans32.30160.8-64.6-27000120.5

Retrieved 303 of 303 residues in 169.5 ms (Link to these results)

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