A0A5K4FDX0_SCHMA Loading...

MoCF_biosynth domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 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
1M58.2Low74.6Confident57 Ų5733.4 Ų33.428%0.28117%0.165SC..  0122.60-168.3142.1141.800108.8R33 R35 Y58 D59 Y60M1-R33 WeakPolarHBondContact CA-O 3.35Å; M1-R35 HydrophobicContact CE-CB 3.65Å; M1-R35 HydrophobicContact CE-CG 3.71Å; M1-R35 VanDerWaalsContact CE-CZ 3.44Å; M1-R35 HydrophobicContact CG-CB 3.6Å; M1-R35 HydrophobicContact CG-CG 3.36Å; M1-R35 HydrophobicContact SD-CB 4.02Å; M1-R35 HydrophobicContact SD-CG 3.52Å; M1-R35 VanDerWaalsContact SD-CG 3.52Å; M1-R35 PolarHBondContact SD-NH1 3.36Å; M1-Y58 HydrophobicContact CB-CD1 4.36Å; M1-Y58 HydrophobicContact CE-CD1 3.29Å; M1-Y58 HydrophobicContact CE-CE1 3.16Å; M1-Y58 HydrophobicContact CG-CD1 3.59Å; M1-Y58 HydrophobicContact CG-CE1 4.28Å; M1-Y58 HydrophobicContact CG-CG 4.42Å; M1-Y58 HydrophobicContact SD-CD1 4.08Å; M1-Y58 HydrophobicContact SD-CE1 4.45Å; M1-D59 VanDerWaalsContact CB-OD2 3.28Å; M1-D59 WeakPolarHBondContact CB-OD2 3.44Å; M1-D59 PolarHBondContact N-OD2 2.96Å; M1-Y60 PolarHBondContact O-N 2.58Å
2W68.6Low75.9Confident56 Ų5639.2 Ų39.221%0.21220%0.197CC..EExtended strand (participates in β ladder)trans-104.4151.5-176.9-76.923.4000111.8L23 A27 V32 R33 L34 R35 Y60 I62W2-L23 HydrophobicContact CE3-CD1 3.68Å; W2-L23 HydrophobicContact CE3-CG 4.37Å; W2-L23 HydrophobicContact CZ3-CD1 3.64Å; W2-A27 HydrophobicContact CE3-CB 4.37Å; W2-V32 HydrophobicContact CB-CG1 3.76Å; W2-V32 HydrophobicContact CD2-CB 4.49Å; W2-V32 HydrophobicContact CD2-CG1 3.51Å; W2-V32 HydrophobicContact CE3-CG1 4.3Å; W2-V32 HydrophobicContact CG-CB 4.48Å; W2-V32 HydrophobicContact CG-CG1 3.16Å; W2-V32 HydrophobicContact CZ2-CG2 4.45Å; W2-R33 PolarHBondContact N-O 2.96Å; W2-L34 HydrophobicContact CB-CD1 3.75Å; W2-L34 WeakPolarHBondContact O-CA 3.47Å; W2-L34 WeakPolarHBondContact O-CD1 3.12Å; W2-R35 PolarHBondContact O-N 3.36Å; W2-Y60 WeakPolarHBondContact CA-O 3.02Å; W2-Y60 AromaticContact CD1-CD2 3.48Å; W2-Y60 VanDerWaalsContact CD1-CD2 3.48Å; W2-Y60 AromaticContact CD1-CG 3.64Å; W2-Y60 AromaticContact NE1-CD2 3.22Å; W2-Y60 AromaticContact NE1-CG 3.28Å; W2-Y60 VanDerWaalsContact NE1-CG 3.28Å; W2-I62 HydrophobicContact CD2-CD1 3.51Å; W2-I62 HydrophobicContact CE3-CD1 3Å; W2-I62 HydrophobicContact CE3-CG1 4.32Å; W2-I62 HydrophobicContact CG-CD1 4.34Å; W2-I62 HydrophobicContact CH2-CD1 3.66Å; W2-I62 HydrophobicContact CZ2-CD1 4.16Å; W2-I62 HydrophobicContact CZ3-CD1 3.07Å
3T60.8Low76.8Confident0 Ų041.1 Ų41.10%023%0.232CC..EExtended strand (participates in β ladder)trans-143.7150.1172.6-171.60000111.3K36 F54 Y58 Y60 V61 I62T3-K36 WeakPolarHBondContact CA-O 3.25Å; T3-K36 PolarHBondContact OG1-O 3.44Å; T3-F54 HydrophobicContact CG2-CB 3.74Å; T3-F54 HydrophobicContact CG2-CD1 4.46Å; T3-F54 HydrophobicContact CG2-CD2 3.09Å; T3-F54 HydrophobicContact CG2-CE2 3.65Å; T3-F54 HydrophobicContact CG2-CG 3.53Å; T3-F54 HydrophobicContact CG2-CZ 4.47Å; T3-F54 VanDerWaalsContact OG1-CD2 3.22Å; T3-F54 WeakPolarHBondContact OG1-CD2 3.35Å; T3-F54 WeakPolarHBondContact OG1-CE2 3.5Å; T3-F54 WeakPolarHBondContact OG1-CZ 3.38Å; T3-Y58 HydrophobicContact CG2-CD2 3.51Å; T3-Y58 HydrophobicContact CG2-CE2 4.1Å; T3-Y58 HydrophobicContact CG2-CG 4.18Å; T3-Y60 PolarHBondContact N-O 3.05Å; T3-V61 HydrophobicContact CG2-CB 4.24Å; T3-V61 HydrophobicContact CG2-CG1 4.1Å; T3-V61 HydrophobicContact CG2-CG2 3.98Å; T3-I62 PolarHBondContact O-N 3.18Å
4K73.6Confident77.5Confident3 Ų350.8 Ų50.81%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-120.8142-174.7-175173.4170.9-120.90112.7I6 D17 S20 L23 K36 I37 S38 I62 S64K4-I6 HydrophobicContact CD-CD1 4.36Å; K4-I6 HydrophobicContact CD-CG1 4.21Å; K4-I6 HydrophobicContact CG-CG1 4.03Å; K4-D17 IonicContact NZ-OD1 2.58Å; K4-D17 PolarHBondContact NZ-OD1 3.44Å; K4-D17 IonicContact NZ-OD2 2.96Å; K4-S20 WeakPolarHBondContact CD-OG 3.35Å; K4-S20 PolarHBondContact NZ-OG 2.93Å; K4-L23 HydrophobicContact CB-CD2 3.94Å; K4-L23 HydrophobicContact CD-CD2 3.92Å; K4-L23 HydrophobicContact CG-CD2 4.34Å; K4-K36 PolarHBondContact N-O 3.41Å; K4-I37 HydrophobicContact CB-CG1 4.37Å; K4-I37 HydrophobicContact CB-CG2 4.42Å; K4-S38 PolarHBondContact O-N 2.98Å; K4-I62 CarbonylContact C-O 3.49Å; K4-I62 WeakPolarHBondContact CA-O 3.39Å; K4-S64 VanDerWaalsContact CE-CB 3.44Å
5V67.8Low78.2Confident7 Ų750.5 Ų50.54%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-115.1137.5171-176.40000110.2S38 I40 E50 V51 F54 I62 T63 S64V5-S38 CarbonylContact C-O 3.54Å; V5-S38 VanDerWaalsContact CA-O 3.3Å; V5-S38 WeakPolarHBondContact CA-O 3.42Å; V5-I40 HydrophobicContact CG1-CD1 3.24Å; V5-I40 HydrophobicContact CG1-CG1 3.49Å; V5-I40 VanDerWaalsContact CG1-CG1 3.49Å; V5-E50 HydrophobicContact CG2-CG 4.42Å; V5-V51 HydrophobicContact CG2-CG2 4.43Å; V5-F54 HydrophobicContact CG2-CD2 4.06Å; V5-F54 HydrophobicContact CG2-CE2 4.01Å; V5-I62 PolarHBondContact N-O 3.48Å; V5-T63 HydrophobicContact CB-CG2 4.05Å; V5-T63 HydrophobicContact CG2-CG2 4.31Å; V5-S64 PolarHBondContact O-N 2.53Å
6I72.4Confident78.8Confident4 Ų459.5 Ų59.52%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-139.5144-172.7-39.2175.6000111.1K4 I10 D17 S20 I37 S38 V39 I40K4-I6 HydrophobicContact CD-CD1 4.36Å; K4-I6 HydrophobicContact CD-CG1 4.21Å; K4-I6 HydrophobicContact CG-CG1 4.03Å; I6-I10 HydrophobicContact CG2-CB 4.15Å; I6-I10 HydrophobicContact CG2-CG1 3.43Å; I6-I10 VanDerWaalsContact CG2-CG1 3.43Å; I6-D17 WeakPolarHBondContact CD1-OD2 3.19Å; I6-S20 WeakPolarHBondContact CD1-OG 3.44Å; I6-I37 HydrophobicContact CD1-CG2 3.77Å; I6-I37 HydrophobicContact CG1-CG2 4.42Å; I6-S38 PolarHBondContact N-O 3.42Å; I6-V39 HydrophobicContact CB-CB 4.5Å; I6-V39 HydrophobicContact CB-CG1 4.1Å; I6-V39 HydrophobicContact CB-CG2 4.37Å; I6-V39 HydrophobicContact CD1-CG2 4Å; I6-V39 HydrophobicContact CG1-CG2 4.48Å; I6-V39 CarbonylContact O-C 3.57Å; I6-V39 WeakPolarHBondContact O-CA 3.41Å; I6-I40 PolarHBondContact O-N 3.3Å
7G75.5Confident79.4Confident4 Ų458.5 Ų58.54%0.04131%0.309CS..  trans-87.4-170-170.100000117.8E9 I10 I40G7-E9 VanDerWaalsContact C-N 3.32Å; G7-E9 VanDerWaalsContact C-OE2 3.28Å; G7-E9 PolarHBondContact O-N 2.63Å; G7-I10 PolarHBondContact O-N 3.04Å; G7-I40 CarbonylContact C-O 3.53Å; G7-I40 WeakPolarHBondContact CA-O 3.28Å
8D84.2Confident79.9Confident52 Ų5259.1 Ų59.128%0.27832%0.319SS..Hα-helixtrans-66.1-25.3-166.4-92.6-35.9000114.8I10 L11 N12 P41 D42D8-I10 PolarHBondContact O-N 2.89Å; D8-L11 PolarHBondContact O-N 2.98Å; D8-N12 WeakPolarHBondContact O-CB 3.44Å; D8-N12 PolarHBondContact O-N 2.77Å; D8-N12 PolarHBondContact O-ND2 2.86Å; D8-P41 WeakPolarHBondContact OD1-CA 3.37Å; D8-P41 WeakPolarHBondContact OD1-CB 3.48Å; D8-D42 WeakPolarHBondContact CB-OD2 3.33Å; D8-D42 PolarHBondContact N-OD2 2.77Å; D8-D42 VanDerWaalsContact N-OD2 3.16Å; D8-D42 PolarHBondContact OD2-N 3.33Å; D8-D42 VanDerWaalsContact OD2-N 3.09Å
9E82.9Confident80.2Confident64 Ų6459.8 Ų59.830%0.29932%0.322SS..Hα-helixtrans-62.9-30.1-18073.9-73.5176.700112.1G7 G13 K14 A15G7-E9 VanDerWaalsContact C-N 3.32Å; G7-E9 VanDerWaalsContact C-OE2 3.28Å; G7-E9 PolarHBondContact O-N 2.63Å; E9-G13 PolarHBondContact O-N 3.12Å; E9-K14 PolarHBondContact O-N 3.47Å; E9-A15 HydrophobicContact CB-CB 4.07Å; E9-A15 HydrophobicContact CG-CB 3.72Å; E9-A15 PolarHBondContact O-N 3.15Å
10I88.3Confident80.6Confident34 Ų3457.2 Ų57.217%0.17431%0.308CS..Hα-helixtrans-80.4-42.9175.4-58.1-49.4000110.4I6 G7 D8 N12 G13 A15 D17 V39I6-I10 HydrophobicContact CG2-CB 4.15Å; I6-I10 HydrophobicContact CG2-CG1 3.43Å; I6-I10 VanDerWaalsContact CG2-CG1 3.43Å; G7-I10 PolarHBondContact O-N 3.04Å; D8-I10 PolarHBondContact O-N 2.89Å; I10-N12 VanDerWaalsContact C-N 3.28Å; I10-N12 PolarHBondContact O-N 3.31Å; I10-G13 PolarHBondContact O-N 3.17Å; I10-A15 HydrophobicContact CD1-CB 3.99Å; I10-A15 VanDerWaalsContact CD1-O 3.25Å; I10-A15 WeakPolarHBondContact CD1-O 3.34Å; I10-D17 HydrophobicContact CD1-CB 3.84Å; I10-D17 HydrophobicContact CG1-CB 4.14Å; I10-D17 HydrophobicContact CG2-CB 4.14Å; I10-V39 HydrophobicContact CB-CG1 3.75Å; I10-V39 HydrophobicContact CG2-CG1 3.68Å; I10-V39 HydrophobicContact CG2-CG2 4.3Å
11L88.6Confident81.1Confident86 Ų8661.8 Ų61.845%0.4532%0.321SS..Hα-helixtrans-59.2-40.8177.6-71.1-179.6000112.3D8 G13 V39 I40 P41D8-L11 PolarHBondContact O-N 2.98Å; L11-G13 VanDerWaalsContact C-N 3.31Å; L11-G13 PolarHBondContact O-N 3.04Å; L11-V39 HydrophobicContact CD2-CB 3.93Å; L11-V39 HydrophobicContact CD2-CG1 3.56Å; L11-V39 HydrophobicContact CG-CG1 3.69Å; L11-I40 VanDerWaalsContact CD1-C 3.42Å; L11-P41 HydrophobicContact CD1-CB 4.22Å
12N89.6Confident82.5Confident103 Ų10364.1 Ų64.155%0.55133%0.331SS*.THydrogen-bonded Turntrans-87.43.2-177.9-65.2-61000113.7D8 I10 K14D8-N12 WeakPolarHBondContact O-CB 3.44Å; D8-N12 PolarHBondContact O-N 2.77Å; D8-N12 PolarHBondContact O-ND2 2.86Å; I10-N12 VanDerWaalsContact C-N 3.28Å; I10-N12 PolarHBondContact O-N 3.31Å; N12-K14 HydrophobicContact CB-CD 4.46Å; N12-K14 HydrophobicContact CB-CG 4.25Å; N12-K14 PolarHBondContact O-N 3.27Å
13G87.4Confident83.5Confident64 Ų6462.4 Ų62.466%0.6633%0.327SS*.THydrogen-bonded Turntrans66.515179.700000114.9E9 I10 L11 A15E9-G13 PolarHBondContact O-N 3.12Å; I10-G13 PolarHBondContact O-N 3.17Å; L11-G13 VanDerWaalsContact C-N 3.31Å; L11-G13 PolarHBondContact O-N 3.04Å; G13-A15 VanDerWaalsContact C-N 3.32Å
14K87.8Confident84.9Confident177 Ų17765.2 Ų65.277%0.7735%0.346SS*.SBendtrans-74.2-26.7178.5-67.8179.8-178.3171.10111.9E9 N12E9-K14 PolarHBondContact O-N 3.47Å; N12-K14 HydrophobicContact CB-CD 4.46Å; N12-K14 HydrophobicContact CB-CG 4.25Å; N12-K14 PolarHBondContact O-N 3.27Å
15A87Confident85.7Confident46 Ų4669.5 Ų69.538%0.3837%0.368SS..SBendtrans-133.6153.1175.900000111.5E9 I10 G13E9-A15 HydrophobicContact CB-CB 4.07Å; E9-A15 HydrophobicContact CG-CB 3.72Å; E9-A15 PolarHBondContact O-N 3.15Å; I10-A15 HydrophobicContact CD1-CB 3.99Å; I10-A15 VanDerWaalsContact CD1-O 3.25Å; I10-A15 WeakPolarHBondContact CD1-O 3.34Å; G13-A15 VanDerWaalsContact C-N 3.32Å
16K88.3Confident86.8Confident195 Ų19571.5 Ų71.585%0.84838%0.38SS*.  trans-90.3130.9171.9-178.9178.1-179.81760109.1S18K16-S18 PolarHBondContact O-N 3.46Å
17D88.9Confident87.5Confident42 Ų4271.3 Ų71.323%0.22538%0.379CS..  trans-71.192177.4177.319.1000111.7K4 I6 I10 N19 S20K4-D17 IonicContact NZ-OD1 2.58Å; K4-D17 PolarHBondContact NZ-OD1 3.44Å; K4-D17 IonicContact NZ-OD2 2.96Å; I6-D17 WeakPolarHBondContact CD1-OD2 3.19Å; I10-D17 HydrophobicContact CD1-CB 3.84Å; I10-D17 HydrophobicContact CG1-CB 4.14Å; I10-D17 HydrophobicContact CG2-CB 4.14Å; D17-N19 PolarHBondContact OD1-N 3.38Å; D17-N19 VanDerWaalsContact OD1-N 3.15Å; D17-S20 VanDerWaalsContact CG-OG 3.25Å; D17-S20 PolarHBondContact OD1-N 3.18Å; D17-S20 PolarHBondContact OD1-OG 3.32Å; D17-S20 WeakPolarHBondContact OD2-CB 3.35Å; D17-S20 PolarHBondContact OD2-OG 2.86Å
18S87.6Confident88.2Confident70 Ų7075 Ų7549%0.4940%0.403SS..Hα-helixtrans-80.9-26.2170.651.90000112.6K16 R21 Q22K16-S18 PolarHBondContact O-N 3.46Å; S18-R21 PolarHBondContact O-N 2.93Å; S18-Q22 WeakPolarHBondContact O-CG 3.37Å; S18-Q22 PolarHBondContact O-N 2.72Å
19N85.8Confident88.5Confident73 Ų7379.2 Ų79.239%0.3942%0.424SS..Hα-helixtrans-70.2-40.8-171-67.9-7.7000110.9D17 Q22 L23 S64D17-N19 PolarHBondContact OD1-N 3.38Å; D17-N19 VanDerWaalsContact OD1-N 3.15Å; N19-Q22 PolarHBondContact O-N 3.06Å; N19-L23 WeakPolarHBondContact O-CB 3.49Å; N19-L23 PolarHBondContact O-N 3.48Å; N19-S64 PolarHBondContact ND2-OG 2.86Å
20S89Confident88.8Confident6 Ų683.2 Ų83.24%0.04244%0.441CS..Hα-helixtrans-69-38.5177-59.30000111.7K4 I6 D17 Q22 L23 C24K4-S20 WeakPolarHBondContact CD-OG 3.35Å; K4-S20 PolarHBondContact NZ-OG 2.93Å; I6-S20 WeakPolarHBondContact CD1-OG 3.44Å; D17-S20 VanDerWaalsContact CG-OG 3.25Å; D17-S20 PolarHBondContact OD1-N 3.18Å; D17-S20 PolarHBondContact OD1-OG 3.32Å; D17-S20 WeakPolarHBondContact OD2-CB 3.35Å; D17-S20 PolarHBondContact OD2-OG 2.86Å; S20-Q22 VanDerWaalsContact C-N 3.31Å; S20-Q22 PolarHBondContact O-N 3.43Å; S20-L23 PolarHBondContact O-N 2.8Å; S20-C24 WeakPolarHBondContact O-CB 3.39Å; S20-C24 PolarHBondContact O-N 3.3Å; S20-C24 PolarHBondContact O-SG 2.9Å
21R90Very high88.9Confident155 Ų15585.2 Ų85.259%0.58547%0.47SS*.Hα-helixtrans-58.2-47175.2-176.2-175.9174.2-75.2-2.2110.6S18 C24 L25S18-R21 PolarHBondContact O-N 2.93Å; R21-C24 PolarHBondContact O-N 2.88Å; R21-L25 HydrophobicContact CG-CD1 4.31Å; R21-L25 VanDerWaalsContact NH1-CD1 3.25Å; R21-L25 WeakPolarHBondContact O-CG 3.36Å; R21-L25 PolarHBondContact O-N 3.2Å
22Q89.4Confident88.8Confident105 Ų10582.1 Ų82.149%0.49146%0.455SS..Hα-helixtrans-61-46.6176.4-71.8-64.3-10.500111.3S18 N19 S20 C24 L25 T26S18-Q22 WeakPolarHBondContact O-CG 3.37Å; S18-Q22 PolarHBondContact O-N 2.72Å; N19-Q22 PolarHBondContact O-N 3.06Å; S20-Q22 VanDerWaalsContact C-N 3.31Å; S20-Q22 PolarHBondContact O-N 3.43Å; Q22-C24 VanDerWaalsContact C-N 3.35Å; Q22-C24 PolarHBondContact O-N 3.03Å; Q22-L25 PolarHBondContact O-N 2.94Å; Q22-L25 VanDerWaalsContact O-N 3.08Å; Q22-T26 WeakPolarHBondContact O-CG2 3.49Å; Q22-T26 PolarHBondContact O-N 3.36Å; Q22-T26 PolarHBondContact O-OG1 2.95Å
23L88.1Confident88.7Confident21 Ų2185.8 Ų85.811%0.1146%0.461CS..Hα-helixtrans-61.1-40.3179.1-16564.2000113W2 K4 N19 S20 L25 T26 A27 L34 I62W2-L23 HydrophobicContact CE3-CD1 3.68Å; W2-L23 HydrophobicContact CE3-CG 4.37Å; W2-L23 HydrophobicContact CZ3-CD1 3.64Å; K4-L23 HydrophobicContact CB-CD2 3.94Å; K4-L23 HydrophobicContact CD-CD2 3.92Å; K4-L23 HydrophobicContact CG-CD2 4.34Å; N19-L23 WeakPolarHBondContact O-CB 3.49Å; N19-L23 PolarHBondContact O-N 3.48Å; S20-L23 PolarHBondContact O-N 2.8Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.34Å; L23-T26 PolarHBondContact O-N 2.88Å; L23-A27 WeakPolarHBondContact O-CB 3.23Å; L23-A27 PolarHBondContact O-N 2.86Å; L23-L34 HydrophobicContact CD2-CD1 3.72Å; L23-L34 HydrophobicContact CG-CD1 4.2Å; L23-I62 HydrophobicContact CD1-CD1 4.26Å; L23-I62 HydrophobicContact CD2-CD1 4.47Å
24C90.3Very high88.8Confident59 Ų5984.4 Ų84.440%0.39944%0.438SS..Hα-helixtrans-62.3-34.3175.2-72.10000112.6S20 R21 Q22 P28 L34S20-C24 WeakPolarHBondContact O-CB 3.39Å; S20-C24 PolarHBondContact O-N 3.3Å; S20-C24 PolarHBondContact O-SG 2.9Å; R21-C24 PolarHBondContact O-N 2.88Å; Q22-C24 VanDerWaalsContact C-N 3.35Å; Q22-C24 PolarHBondContact O-N 3.03Å; C24-P28 WeakPolarHBondContact O-CD 3.42Å; C24-P28 WeakPolarHBondContact O-CG 3.35Å; C24-L34 WeakPolarHBondContact SG-CD2 3.41Å
25L91.3Very high89Confident92 Ų9282.6 Ų82.648%0.48243%0.426SS..Hα-helixtrans-80.1-37.1179.2-68.2172.7000112.2R21 Q22 L23R21-L25 HydrophobicContact CG-CD1 4.31Å; R21-L25 VanDerWaalsContact NH1-CD1 3.25Å; R21-L25 WeakPolarHBondContact O-CG 3.36Å; R21-L25 PolarHBondContact O-N 3.2Å; Q22-L25 PolarHBondContact O-N 2.94Å; Q22-L25 VanDerWaalsContact O-N 3.08Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.34Å
26T90.1Very high89.3Confident49 Ų4983.6 Ų83.630%0.30142%0.422SS..Hα-helixtrans-87.5-37-17557.50000113.3Q22 L23 L29 F30Q22-T26 WeakPolarHBondContact O-CG2 3.49Å; Q22-T26 PolarHBondContact O-N 3.36Å; Q22-T26 PolarHBondContact O-OG1 2.95Å; L23-T26 PolarHBondContact O-N 2.88Å; T26-L29 VanDerWaalsContact O-CB 3.26Å; T26-L29 WeakPolarHBondContact O-CB 3.35Å; T26-L29 PolarHBondContact O-N 3Å; T26-F30 VanDerWaalsContact O-CD2 3.26Å; T26-F30 WeakPolarHBondContact O-CD2 3.17Å
27A87.9Confident89.5Confident0 Ų077.4 Ų77.40%040%0.398CS..G310 helixtrans-54.6-42.9-177.100000113.7W2 L23 L29 F30 V32W2-A27 HydrophobicContact CE3-CB 4.37Å; L23-A27 WeakPolarHBondContact O-CB 3.23Å; L23-A27 PolarHBondContact O-N 2.86Å; A27-L29 PolarHBondContact O-N 3.22Å; A27-F30 PolarHBondContact O-N 3.01Å; A27-V32 CarbonylContact C-O 3.28Å; A27-V32 HydrophobicContact CB-CB 4.25Å; A27-V32 HydrophobicContact CB-CG1 4.12Å; A27-V32 WeakPolarHBondContact O-CB 3.42Å; A27-V32 PolarHBondContact O-N 2.6Å; A27-V32 VanDerWaalsContact O-O 3.12Å
28P89.1Confident89.7Confident82 Ų8276.2 Ų76.253%0.53239%0.392SS..G310 helixtrans-60.7-30.2176.1-2535.9000114C24 F30 G31C24-P28 WeakPolarHBondContact O-CD 3.42Å; C24-P28 WeakPolarHBondContact O-CG 3.35Å; P28-F30 PolarHBondContact O-N 3.37Å; P28-G31 PolarHBondContact O-N 2.66Å; P28-G31 VanDerWaalsContact O-N 3.09Å
29L91.8Very high90Very high140 Ų14075.3 Ų75.373%0.73338%0.384SS*.G310 helixtrans-65.9-23.8177.9-54.9177.4000112.2T26 A27T26-L29 VanDerWaalsContact O-CB 3.26Å; T26-L29 WeakPolarHBondContact O-CB 3.35Å; T26-L29 PolarHBondContact O-N 3Å; A27-L29 PolarHBondContact O-N 3.22Å
30F88.7Confident90.3Very high149 Ų14972.7 Ų72.765%0.65437%0.37SS*.G310 helixtrans-97.913.5176.1-61.6-76000112.9T26 A27 P28 V32T26-F30 VanDerWaalsContact O-CD2 3.26Å; T26-F30 WeakPolarHBondContact O-CD2 3.17Å; A27-F30 PolarHBondContact O-N 3.01Å; P28-F30 PolarHBondContact O-N 3.37Å; F30-V32 HydrophobicContact CB-CG2 4.39Å; F30-V32 PolarHBondContact O-N 2.85Å
31G90.1Very high90.5Very high76 Ų7674.9 Ų74.978%0.78438%0.384SS*.THydrogen-bonded Turntrans71.116.3-177.100000113.6P28P28-G31 PolarHBondContact O-N 2.66Å; P28-G31 VanDerWaalsContact O-N 3.09Å
32V86.1Confident90.6Very high20 Ų2068.9 Ų68.912%0.12136%0.363CS..  trans-104.6133.2-175.4170.30000111W2 A27 F30W2-V32 HydrophobicContact CB-CG1 3.76Å; W2-V32 HydrophobicContact CD2-CB 4.49Å; W2-V32 HydrophobicContact CD2-CG1 3.51Å; W2-V32 HydrophobicContact CE3-CG1 4.3Å; W2-V32 HydrophobicContact CG-CB 4.48Å; W2-V32 HydrophobicContact CG-CG1 3.16Å; W2-V32 HydrophobicContact CZ2-CG2 4.45Å; A27-V32 CarbonylContact C-O 3.28Å; A27-V32 HydrophobicContact CB-CB 4.25Å; A27-V32 HydrophobicContact CB-CG1 4.12Å; A27-V32 WeakPolarHBondContact O-CB 3.42Å; A27-V32 PolarHBondContact O-N 2.6Å; A27-V32 VanDerWaalsContact O-O 3.12Å; F30-V32 HydrophobicContact CB-CG2 4.39Å; F30-V32 PolarHBondContact O-N 2.85Å
33R88.1Confident90.7Very high181 Ų18167.3 Ų67.368%0.68336%0.358SS*.  trans-97.1115.4171.6-164.9178.8-62.2176.73.5111M1 W2 R35M1-R33 WeakPolarHBondContact CA-O 3.35Å; W2-R33 PolarHBondContact N-O 2.96Å; R33-R35 HydrophobicContact CG-CG 4.17Å
34L89.5Confident90.9Very high35 Ų3568.1 Ų68.118%0.18337%0.365CS..EExtended strand (participates in β ladder)trans-71132.9167-167.276000109.4W2 L23 C24 I37W2-L34 HydrophobicContact CB-CD1 3.75Å; W2-L34 WeakPolarHBondContact O-CA 3.47Å; W2-L34 WeakPolarHBondContact O-CD1 3.12Å; L23-L34 HydrophobicContact CD2-CD1 3.72Å; L23-L34 HydrophobicContact CG-CD1 4.2Å; C24-L34 WeakPolarHBondContact SG-CD2 3.41Å; L34-I37 HydrophobicContact CD2-CD1 3.78Å; L34-I37 HydrophobicContact CD2-CG1 3.81Å
35R92.2Very high91.2Very high139 Ų13969.1 Ų69.153%0.52537%0.367SS..EExtended strand (participates in β ladder)trans-127.4-23-170.4-74.2-75.2-63-8811115.7M1 W2 R33 Y58M1-R35 HydrophobicContact CE-CB 3.65Å; M1-R35 HydrophobicContact CE-CG 3.71Å; M1-R35 VanDerWaalsContact CE-CZ 3.44Å; M1-R35 HydrophobicContact CG-CB 3.6Å; M1-R35 HydrophobicContact CG-CG 3.36Å; M1-R35 HydrophobicContact SD-CB 4.02Å; M1-R35 HydrophobicContact SD-CG 3.52Å; M1-R35 VanDerWaalsContact SD-CG 3.52Å; M1-R35 PolarHBondContact SD-NH1 3.36Å; W2-R35 PolarHBondContact O-N 3.36Å; R33-R35 HydrophobicContact CG-CG 4.17Å; R35-Y58 HydrophobicContact CB-CE1 4.25Å
36K93Very high91.4Very high67 Ų6765.8 Ų65.829%0.29135%0.353SS..EExtended strand (participates in β ladder)trans-147.9148.6170.9-171.1173.3175.2-145.50109T3 K4 E50 F54 Y58T3-K36 WeakPolarHBondContact CA-O 3.25Å; T3-K36 PolarHBondContact OG1-O 3.44Å; K4-K36 PolarHBondContact N-O 3.41Å; K36-E50 IonicContact NZ-OE1 2.75Å; K36-E50 PolarHBondContact NZ-OE1 3.31Å; K36-E50 IonicContact NZ-OE2 3.81Å; K36-F54 HydrophobicContact CB-CZ 4.31Å; K36-F54 HydrophobicContact CD-CE1 3.55Å; K36-F54 HydrophobicContact CD-CZ 3.63Å; K36-F54 HydrophobicContact CG-CE1 4.29Å; K36-F54 HydrophobicContact CG-CZ 3.89Å; K36-Y58 HydrophobicContact CB-CE2 4.27Å; K36-Y58 WeakPolarHBondContact CB-OH 3.1Å
37I92.9Very high91.5Very high65 Ų6563.5 Ų63.533%0.33334%0.339SS..EExtended strand (participates in β ladder)trans-124.5134.3165.7-64.5159.2000104.9K4 I6 L34K4-I37 HydrophobicContact CB-CG1 4.37Å; K4-I37 HydrophobicContact CB-CG2 4.42Å; I6-I37 HydrophobicContact CD1-CG2 3.77Å; I6-I37 HydrophobicContact CG1-CG2 4.42Å; L34-I37 HydrophobicContact CD2-CD1 3.78Å; L34-I37 HydrophobicContact CD2-CG1 3.81Å
38S93.5Very high91.8Very high16 Ų1664.3 Ų64.311%0.11234%0.344CS..EExtended strand (participates in β ladder)trans-118.6137.3173.9-1460000109.4K4 V5 I6 E50K4-S38 PolarHBondContact O-N 2.98Å; V5-S38 CarbonylContact C-O 3.54Å; V5-S38 VanDerWaalsContact CA-O 3.3Å; V5-S38 WeakPolarHBondContact CA-O 3.42Å; I6-S38 PolarHBondContact N-O 3.42Å; S38-E50 WeakPolarHBondContact CB-OE1 3.34Å; S38-E50 PolarHBondContact OG-OE1 2.88Å
39V92.8Very high92.1Very high51 Ų5167.6 Ų67.631%0.30935%0.352SS..EExtended strand (participates in β ladder)trans-118120.5171.1-165.80000105.3I6 I10 L11I6-V39 HydrophobicContact CB-CB 4.5Å; I6-V39 HydrophobicContact CB-CG1 4.1Å; I6-V39 HydrophobicContact CB-CG2 4.37Å; I6-V39 HydrophobicContact CD1-CG2 4Å; I6-V39 HydrophobicContact CG1-CG2 4.48Å; I6-V39 CarbonylContact O-C 3.57Å; I6-V39 WeakPolarHBondContact O-CA 3.41Å; I10-V39 HydrophobicContact CB-CG1 3.75Å; I10-V39 HydrophobicContact CG2-CG1 3.68Å; I10-V39 HydrophobicContact CG2-CG2 4.3Å; L11-V39 HydrophobicContact CD2-CB 3.93Å; L11-V39 HydrophobicContact CD2-CG1 3.56Å; L11-V39 HydrophobicContact CG-CG1 3.69Å
40I93Very high92.3Very high19 Ų1962 Ų6210%0.09732%0.322CS..  trans-137.5157.6-171.764.4176.8000109.1V5 I6 G7 L11 I47 E50V5-I40 HydrophobicContact CG1-CD1 3.24Å; V5-I40 HydrophobicContact CG1-CG1 3.49Å; V5-I40 VanDerWaalsContact CG1-CG1 3.49Å; I6-I40 PolarHBondContact O-N 3.3Å; G7-I40 CarbonylContact C-O 3.53Å; G7-I40 WeakPolarHBondContact CA-O 3.28Å; L11-I40 VanDerWaalsContact CD1-C 3.42Å; I40-I47 VanDerWaalsContact CD1-CA 3.48Å; I40-I47 HydrophobicContact CD1-CB 4.16Å; I40-I47 HydrophobicContact CD1-CG1 3.7Å; I40-I47 HydrophobicContact CG1-CG1 4.32Å; I40-E50 HydrophobicContact CD1-CB 4.12Å
41P92.3Very high92.4Very high51 Ų5155 Ų5533%0.33129%0.292SS..  trans-66.5161.5179.726.8-35.3000112.5D8 L11 D43 A46D8-P41 WeakPolarHBondContact OD1-CA 3.37Å; D8-P41 WeakPolarHBondContact OD1-CB 3.48Å; L11-P41 HydrophobicContact CD1-CB 4.22Å; P41-D43 HydrophobicContact CG-CB 4.36Å; P41-D43 PolarHBondContact O-N 3.17Å; P41-A46 HydrophobicContact CG-CB 4.04Å
42D91.6Very high92.6Very high30 Ų3053.8 Ų53.816%0.1627%0.271CS..SBendtrans-75.660.7173.9-74.2-46.6000110.7D8 D72 V74D8-D42 WeakPolarHBondContact CB-OD2 3.33Å; D8-D42 PolarHBondContact N-OD2 2.77Å; D8-D42 VanDerWaalsContact N-OD2 3.16Å; D8-D42 PolarHBondContact OD2-N 3.33Å; D8-D42 VanDerWaalsContact OD2-N 3.09Å; D42-D72 HydrophobicContact CB-CB 4.42Å; D42-V74 WeakPolarHBondContact O-CG2 3.15Å
43D92.6Very high92.9Very high72 Ų7255.7 Ų55.739%0.38528%0.281SS..  trans-124.5129-179.8172.370.3000109.7P41 D45 A46 I47P41-D43 HydrophobicContact CG-CB 4.36Å; P41-D43 PolarHBondContact O-N 3.17Å; D43-D45 PolarHBondContact O-N 2.65Å; D43-D45 WeakPolarHBondContact OD2-CA 3.29Å; D43-D45 WeakPolarHBondContact OD2-CB 3.33Å; D43-D45 PolarHBondContact OD2-N 3.13Å; D43-A46 HydrophobicContact CB-CB 4.12Å; D43-A46 PolarHBondContact O-N 2.79Å; D43-A46 PolarHBondContact OD2-N 2.67Å; D43-I47 WeakPolarHBondContact O-CB 3.4Å; D43-I47 WeakPolarHBondContact O-CG1 3.23Å; D43-I47 PolarHBondContact O-N 2.8Å
44S92.8Very high93.2Very high37 Ų3747.1 Ų47.126%0.25925%0.248SC..Hα-helixtrans-62.8-28.4-174.660.10000113S48 G78S44-S48 WeakPolarHBondContact O-CB 3.27Å; S44-S48 PolarHBondContact O-N 2.71Å; S44-G78 WeakPolarHBondContact O-CA 3.26Å
45D95.7Very high93.3Very high80 Ų8048 Ų4843%0.42825%0.252SS..Hα-helixtrans-81.2-44.1-175.2-68.511.6000110.2D43 I47 S48 E49 K81D43-D45 PolarHBondContact O-N 2.65Å; D43-D45 WeakPolarHBondContact OD2-CA 3.29Å; D43-D45 WeakPolarHBondContact OD2-CB 3.33Å; D43-D45 PolarHBondContact OD2-N 3.13Å; D45-I47 PolarHBondContact O-N 3.05Å; D45-S48 PolarHBondContact O-N 2.73Å; D45-E49 WeakPolarHBondContact O-CB 3.41Å; D45-E49 PolarHBondContact O-N 3Å; D45-K81 IonicContact OD1-NZ 3.02Å; D45-K81 PolarHBondContact OD1-NZ 2.92Å; D45-K81 IonicContact OD2-NZ 3.9Å; D45-K81 PolarHBondContact OD2-NZ 3.41Å
46A94.9Very high93.2Very high22 Ų2247.6 Ų47.618%0.18226%0.26CS..Hα-helixtrans-58.6-45.3170.400000111.9P41 D43 E49 E50P41-A46 HydrophobicContact CG-CB 4.04Å; D43-A46 HydrophobicContact CB-CB 4.12Å; D43-A46 PolarHBondContact O-N 2.79Å; D43-A46 PolarHBondContact OD2-N 2.67Å; A46-E49 PolarHBondContact O-N 3.42Å; A46-E50 PolarHBondContact O-N 3.39Å; A46-E50 VanDerWaalsContact O-N 3.09Å
47I93.6Very high93.2Very high2 Ų251.3 Ų51.31%0.0127%0.272CS..Hα-helixtrans-61.6-46.2175.4-65.5166.8000110.3I40 D43 D45 E49 E50 V51 V74I40-I47 VanDerWaalsContact CD1-CA 3.48Å; I40-I47 HydrophobicContact CD1-CB 4.16Å; I40-I47 HydrophobicContact CD1-CG1 3.7Å; I40-I47 HydrophobicContact CG1-CG1 4.32Å; D43-I47 WeakPolarHBondContact O-CB 3.4Å; D43-I47 WeakPolarHBondContact O-CG1 3.23Å; D43-I47 PolarHBondContact O-N 2.8Å; D45-I47 PolarHBondContact O-N 3.05Å; I47-E49 PolarHBondContact O-N 3.16Å; I47-E50 PolarHBondContact O-N 3.31Å; I47-V51 HydrophobicContact CG2-CG2 4.09Å; I47-V51 VanDerWaalsContact O-CB 3.28Å; I47-V51 WeakPolarHBondContact O-CB 3.42Å; I47-V51 WeakPolarHBondContact O-CG2 3.44Å; I47-V51 PolarHBondContact O-N 2.92Å; I47-V74 HydrophobicContact CD1-CG2 3.98Å
48S94.2Very high93.2Very high17 Ų1749.1 Ų49.112%0.11926%0.26CS..Hα-helixtrans-60.8-44.7-179.9-179.70000112.4S44 D45 C52 G78 K81 A82S44-S48 WeakPolarHBondContact O-CB 3.27Å; S44-S48 PolarHBondContact O-N 2.71Å; D45-S48 PolarHBondContact O-N 2.73Å; S48-C52 WeakPolarHBondContact O-CB 3.23Å; S48-C52 PolarHBondContact O-N 2.92Å; S48-G78 WeakPolarHBondContact CA-O 3.34Å; S48-K81 WeakPolarHBondContact OG-CG 3.38Å; S48-A82 WeakPolarHBondContact O-CB 3.35Å; S48-A82 WeakPolarHBondContact OG-CA 3.4Å; S48-A82 PolarHBondContact OG-N 3.42Å; S48-A82 VanDerWaalsContact OG-N 3.14Å
49E95.7Very high92.9Very high150 Ų15054 Ų5470%0.70129%0.285SS*.Hα-helixtrans-63.9-49.2-179.2-175.1177.9178.300111.2D45 A46 I47 C52 N53D45-E49 WeakPolarHBondContact O-CB 3.41Å; D45-E49 PolarHBondContact O-N 3Å; A46-E49 PolarHBondContact O-N 3.42Å; I47-E49 PolarHBondContact O-N 3.16Å; E49-C52 PolarHBondContact O-N 2.89Å; E49-N53 WeakPolarHBondContact O-CB 3.41Å; E49-N53 PolarHBondContact O-N 3.29Å
50E94.5Very high92.6Very high22 Ų2255.1 Ų55.110%0.10328%0.284CS..Hα-helixtrans-70.3-38.7-177.3-17269.4159.200111.8V5 K36 S38 I40 A46 I47 N53 F54V5-E50 HydrophobicContact CG2-CG 4.42Å; K36-E50 IonicContact NZ-OE1 2.75Å; K36-E50 PolarHBondContact NZ-OE1 3.31Å; K36-E50 IonicContact NZ-OE2 3.81Å; S38-E50 WeakPolarHBondContact CB-OE1 3.34Å; S38-E50 PolarHBondContact OG-OE1 2.88Å; I40-E50 HydrophobicContact CD1-CB 4.12Å; A46-E50 PolarHBondContact O-N 3.39Å; A46-E50 VanDerWaalsContact O-N 3.09Å; I47-E50 PolarHBondContact O-N 3.31Å; E50-N53 PolarHBondContact O-N 3.31Å; E50-N53 PolarHBondContact OE2-ND2 2.94Å; E50-F54 HydrophobicContact CG-CD1 4.21Å; E50-F54 HydrophobicContact CG-CD2 4.22Å; E50-F54 HydrophobicContact CG-CE1 3.92Å; E50-F54 HydrophobicContact CG-CE2 3.93Å; E50-F54 HydrophobicContact CG-CG 4.41Å; E50-F54 HydrophobicContact CG-CZ 3.85Å; E50-F54 VanDerWaalsContact O-CB 3.22Å; E50-F54 WeakPolarHBondContact O-CB 3.36Å; E50-F54 WeakPolarHBondContact O-CD1 3.5Å; E50-F54 WeakPolarHBondContact O-CG 3.41Å; E50-F54 PolarHBondContact O-N 3.44Å; E50-F54 WeakPolarHBondContact OE1-CE1 3.19Å; E50-F54 WeakPolarHBondContact OE1-CZ 2.93Å
51V92.2Very high92.5Very high4 Ų456.2 Ų56.22%0.02429%0.292CS..Hα-helixtrans-62.1-44.1173.71730000110.3V5 I47 F54 M55 V61 T63 V79 A82V5-V51 HydrophobicContact CG2-CG2 4.43Å; I47-V51 HydrophobicContact CG2-CG2 4.09Å; I47-V51 VanDerWaalsContact O-CB 3.28Å; I47-V51 WeakPolarHBondContact O-CB 3.42Å; I47-V51 WeakPolarHBondContact O-CG2 3.44Å; I47-V51 PolarHBondContact O-N 2.92Å; V51-F54 PolarHBondContact O-N 3.14Å; V51-M55 HydrophobicContact CG1-CE 3.99Å; V51-M55 HydrophobicContact CG1-CG 4.25Å; V51-M55 HydrophobicContact CG1-SD 4.04Å; V51-M55 VanDerWaalsContact O-CG 3.27Å; V51-M55 WeakPolarHBondContact O-CG 3.47Å; V51-M55 PolarHBondContact O-N 3.32Å; V51-V61 HydrophobicContact CG1-CG1 4.49Å; V51-T63 HydrophobicContact CG2-CG2 4.28Å; V51-V79 HydrophobicContact CG2-CG2 4.23Å; V51-A82 HydrophobicContact CB-CB 3.83Å; V51-A82 HydrophobicContact CG1-CB 3.65Å
52C92.8Very high92.3Very high49 Ų4956.1 Ų56.133%0.33129%0.288SS..Hα-helixtrans-60.3-48.7175.7-1740000112.1S48 E49 F54 M55 N56 A82S48-C52 WeakPolarHBondContact O-CB 3.23Å; S48-C52 PolarHBondContact O-N 2.92Å; E49-C52 PolarHBondContact O-N 2.89Å; C52-F54 PolarHBondContact O-N 3.29Å; C52-M55 PolarHBondContact O-N 3.14Å; C52-N56 PolarHBondContact O-N 3.08Å; C52-N56 VanDerWaalsContact O-N 3.15Å; C52-N56 PolarHBondContact O-ND2 3.23Å; C52-N56 VanDerWaalsContact O-ND2 3.15Å; C52-A82 HydrophobicContact CB-CB 4.44Å
53N93.6Very high92.1Very high61 Ų6156.9 Ų56.933%0.32629%0.294SS..Hα-helixtrans-56.6-39.1174.7-177.425000111.9E49 E50 R57E49-N53 WeakPolarHBondContact O-CB 3.41Å; E49-N53 PolarHBondContact O-N 3.29Å; E50-N53 PolarHBondContact O-N 3.31Å; E50-N53 PolarHBondContact OE2-ND2 2.94Å; N53-R57 WeakPolarHBondContact O-CG 3.25Å
54F93.1Very high91.8Very high0 Ų055 Ų550%029%0.286CS..Hα-helixtrans-73.2-44.4-178.7-79.39.5000112.8T3 V5 K36 E50 V51 C52 N56 R57 Y58 V61T3-F54 HydrophobicContact CG2-CB 3.74Å; T3-F54 HydrophobicContact CG2-CD1 4.46Å; T3-F54 HydrophobicContact CG2-CD2 3.09Å; T3-F54 HydrophobicContact CG2-CE2 3.65Å; T3-F54 HydrophobicContact CG2-CG 3.53Å; T3-F54 HydrophobicContact CG2-CZ 4.47Å; T3-F54 VanDerWaalsContact OG1-CD2 3.22Å; T3-F54 WeakPolarHBondContact OG1-CD2 3.35Å; T3-F54 WeakPolarHBondContact OG1-CE2 3.5Å; T3-F54 WeakPolarHBondContact OG1-CZ 3.38Å; V5-F54 HydrophobicContact CG2-CD2 4.06Å; V5-F54 HydrophobicContact CG2-CE2 4.01Å; K36-F54 HydrophobicContact CB-CZ 4.31Å; K36-F54 HydrophobicContact CD-CE1 3.55Å; K36-F54 HydrophobicContact CD-CZ 3.63Å; K36-F54 HydrophobicContact CG-CE1 4.29Å; K36-F54 HydrophobicContact CG-CZ 3.89Å; E50-F54 HydrophobicContact CG-CD1 4.21Å; E50-F54 HydrophobicContact CG-CD2 4.22Å; E50-F54 HydrophobicContact CG-CE1 3.92Å; E50-F54 HydrophobicContact CG-CE2 3.93Å; E50-F54 HydrophobicContact CG-CG 4.41Å; E50-F54 HydrophobicContact CG-CZ 3.85Å; E50-F54 VanDerWaalsContact O-CB 3.22Å; E50-F54 WeakPolarHBondContact O-CB 3.36Å; E50-F54 WeakPolarHBondContact O-CD1 3.5Å; E50-F54 WeakPolarHBondContact O-CG 3.41Å; E50-F54 PolarHBondContact O-N 3.44Å; E50-F54 WeakPolarHBondContact OE1-CE1 3.19Å; E50-F54 WeakPolarHBondContact OE1-CZ 2.93Å; V51-F54 PolarHBondContact O-N 3.14Å; C52-F54 PolarHBondContact O-N 3.29Å; F54-N56 PolarHBondContact O-N 3.05Å; F54-R57 PolarHBondContact O-N 2.84Å; F54-Y58 HydrophobicContact CB-CD2 3.99Å; F54-Y58 HydrophobicContact CB-CE2 4.43Å; F54-Y58 HydrophobicContact CD1-CD2 4.1Å; F54-Y58 AromaticContact CD1-CE2 3.66Å; F54-Y58 HydrophobicContact CD1-CE2 3.66Å; F54-Y58 AromaticContact CE1-CE2 3.93Å; F54-Y58 HydrophobicContact CE1-CE2 3.93Å; F54-Y58 HydrophobicContact CG-CD2 4.04Å; F54-Y58 HydrophobicContact CG-CE2 4.05Å; F54-Y58 WeakPolarHBondContact O-CB 3.43Å; F54-Y58 WeakPolarHBondContact O-CD2 3.34Å; F54-Y58 PolarHBondContact O-N 3.17Å; F54-V61 HydrophobicContact CB-CB 4.47Å; F54-V61 HydrophobicContact CB-CG1 4.02Å; F54-V61 HydrophobicContact CB-CG2 3.6Å; F54-V61 HydrophobicContact CD2-CG1 4.12Å
55M91.5Very high91.4Very high53 Ų5354.5 Ų54.526%0.26129%0.287SS..Hα-helixtrans-60.3-32.3175.9-70.3-174.7-55.500112V51 C52 R57 V61 A82 L83V51-M55 HydrophobicContact CG1-CE 3.99Å; V51-M55 HydrophobicContact CG1-CG 4.25Å; V51-M55 HydrophobicContact CG1-SD 4.04Å; V51-M55 VanDerWaalsContact O-CG 3.27Å; V51-M55 WeakPolarHBondContact O-CG 3.47Å; V51-M55 PolarHBondContact O-N 3.32Å; C52-M55 PolarHBondContact O-N 3.14Å; M55-R57 VanDerWaalsContact C-N 3.27Å; M55-R57 PolarHBondContact O-N 2.87Å; M55-V61 HydrophobicContact CG-CG2 3.87Å; M55-A82 HydrophobicContact CE-CB 3.9Å; M55-L83 HydrophobicContact CE-CD2 3.77Å; M55-L83 HydrophobicContact CE-CG 4.22Å; M55-L83 HydrophobicContact SD-CD2 3.34Å; M55-L83 WeakPolarHBondContact SD-CD2 3.17Å; M55-L83 HydrophobicContact SD-CG 4.07Å
56N91.5Very high90.8Very high131 Ų13151.2 Ų51.270%0.70127%0.272SS*.THydrogen-bonded Turntrans-72.4-16.1176.3-71.1-30.3000114C52 F54C52-N56 PolarHBondContact O-N 3.08Å; C52-N56 VanDerWaalsContact O-N 3.15Å; C52-N56 PolarHBondContact O-ND2 3.23Å; C52-N56 VanDerWaalsContact O-ND2 3.15Å; F54-N56 PolarHBondContact O-N 3.05Å
57R92.5Very high90.2Very high145 Ų14552.7 Ų52.755%0.54728%0.276SS..THydrogen-bonded Turntrans-121.5-19.5-170-65.6-177.969.3-1531.7114.4N53 F54 M55N53-R57 WeakPolarHBondContact O-CG 3.25Å; F54-R57 PolarHBondContact O-N 2.84Å; M55-R57 VanDerWaalsContact C-N 3.27Å; M55-R57 PolarHBondContact O-N 2.87Å
58Y91.8Very high89.6Confident19 Ų1954 Ų548%0.07529%0.29CS..  trans-137.8144.7-168.9-50.1-58000110.9M1 T3 R35 K36 F54 Y60M1-Y58 HydrophobicContact CB-CD1 4.36Å; M1-Y58 HydrophobicContact CE-CD1 3.29Å; M1-Y58 HydrophobicContact CE-CE1 3.16Å; M1-Y58 HydrophobicContact CG-CD1 3.59Å; M1-Y58 HydrophobicContact CG-CE1 4.28Å; M1-Y58 HydrophobicContact CG-CG 4.42Å; M1-Y58 HydrophobicContact SD-CD1 4.08Å; M1-Y58 HydrophobicContact SD-CE1 4.45Å; T3-Y58 HydrophobicContact CG2-CD2 3.51Å; T3-Y58 HydrophobicContact CG2-CE2 4.1Å; T3-Y58 HydrophobicContact CG2-CG 4.18Å; R35-Y58 HydrophobicContact CB-CE1 4.25Å; K36-Y58 HydrophobicContact CB-CE2 4.27Å; K36-Y58 WeakPolarHBondContact CB-OH 3.1Å; F54-Y58 HydrophobicContact CB-CD2 3.99Å; F54-Y58 HydrophobicContact CB-CE2 4.43Å; F54-Y58 HydrophobicContact CD1-CD2 4.1Å; F54-Y58 AromaticContact CD1-CE2 3.66Å; F54-Y58 HydrophobicContact CD1-CE2 3.66Å; F54-Y58 AromaticContact CE1-CE2 3.93Å; F54-Y58 HydrophobicContact CE1-CE2 3.93Å; F54-Y58 HydrophobicContact CG-CD2 4.04Å; F54-Y58 HydrophobicContact CG-CE2 4.05Å; F54-Y58 WeakPolarHBondContact O-CB 3.43Å; F54-Y58 WeakPolarHBondContact O-CD2 3.34Å; F54-Y58 PolarHBondContact O-N 3.17Å; Y58-Y60 VanDerWaalsContact C-N 3.28Å; Y58-Y60 PolarHBondContact O-N 3.47Å
59D87.7Confident88.8Confident119 Ų11955 Ų5564%0.63630%0.297SS*.SBendtrans-69.1-27.5-177.7-38.8-75.8000112.8M1M1-D59 VanDerWaalsContact CB-OD2 3.28Å; M1-D59 WeakPolarHBondContact CB-OD2 3.44Å; M1-D59 PolarHBondContact N-OD2 2.96Å
60Y87.2Confident88.1Confident75 Ų7551.4 Ų51.429%0.29429%0.286SS..EExtended strand (participates in β ladder)trans-139.5134.7-178.9-58.2-85.8000111.1M1 W2 T3 Y58M1-Y60 PolarHBondContact O-N 2.58Å; W2-Y60 WeakPolarHBondContact CA-O 3.02Å; W2-Y60 AromaticContact CD1-CD2 3.48Å; W2-Y60 VanDerWaalsContact CD1-CD2 3.48Å; W2-Y60 AromaticContact CD1-CG 3.64Å; W2-Y60 AromaticContact NE1-CD2 3.22Å; W2-Y60 AromaticContact NE1-CG 3.28Å; W2-Y60 VanDerWaalsContact NE1-CG 3.28Å; T3-Y60 PolarHBondContact N-O 3.05Å; Y58-Y60 VanDerWaalsContact C-N 3.28Å; Y58-Y60 PolarHBondContact O-N 3.47Å
61V89.7Confident87.4Confident42 Ų4258.4 Ų58.426%0.25532%0.318SS..EExtended strand (participates in β ladder)trans-119.1129.4176.1-175.70000108.4T3 V51 F54 M55T3-V61 HydrophobicContact CG2-CB 4.24Å; T3-V61 HydrophobicContact CG2-CG1 4.1Å; T3-V61 HydrophobicContact CG2-CG2 3.98Å; V51-V61 HydrophobicContact CG1-CG1 4.49Å; F54-V61 HydrophobicContact CB-CB 4.47Å; F54-V61 HydrophobicContact CB-CG1 4.02Å; F54-V61 HydrophobicContact CB-CG2 3.6Å; F54-V61 HydrophobicContact CD2-CG1 4.12Å; M55-V61 HydrophobicContact CG-CG2 3.87Å
62I88.1Confident87Confident48 Ų4861.5 Ų61.525%0.24633%0.334CS..EExtended strand (participates in β ladder)trans-120.4134.9179.4-63.3179.1000108.3W2 T3 K4 V5 L23W2-I62 HydrophobicContact CD2-CD1 3.51Å; W2-I62 HydrophobicContact CE3-CD1 3Å; W2-I62 HydrophobicContact CE3-CG1 4.32Å; W2-I62 HydrophobicContact CG-CD1 4.34Å; W2-I62 HydrophobicContact CH2-CD1 3.66Å; W2-I62 HydrophobicContact CZ2-CD1 4.16Å; W2-I62 HydrophobicContact CZ3-CD1 3.07Å; T3-I62 PolarHBondContact O-N 3.18Å; K4-I62 CarbonylContact C-O 3.49Å; K4-I62 WeakPolarHBondContact CA-O 3.39Å; V5-I62 PolarHBondContact N-O 3.48Å; L23-I62 HydrophobicContact CD1-CD1 4.26Å; L23-I62 HydrophobicContact CD2-CD1 4.47Å
63T89.1Confident86.7Confident46 Ų4660.2 Ų60.228%0.28232%0.324SS..EExtended strand (participates in β ladder)trans-111.9152.6170.465.50000109V5 V51 T75 V79V5-T63 HydrophobicContact CB-CG2 4.05Å; V5-T63 HydrophobicContact CG2-CG2 4.31Å; V51-T63 HydrophobicContact CG2-CG2 4.28Å; T63-T75 HydrophobicContact CG2-CG2 4.25Å; T63-T75 WeakPolarHBondContact OG1-CG2 3.47Å; T63-V79 HydrophobicContact CG2-CG2 4.12Å
64S86.1Confident86.5Confident32 Ų3258.6 Ų58.622%0.22432%0.316CS..EExtended strand (participates in β ladder)trans-146.1123.9175.9-1770000108.9K4 V5 N19K4-S64 VanDerWaalsContact CE-CB 3.44Å; V5-S64 PolarHBondContact O-N 2.53Å; N19-S64 PolarHBondContact ND2-OG 2.86Å
65G83.9Confident86.4Confident28 Ų2859 Ų5929%0.28932%0.319SS..SBendtrans104.7172.9-172.100000112.1I67 T75G65-I67 PolarHBondContact O-N 3.29Å; G65-T75 PolarHBondContact O-OG1 3.37Å; G65-T75 VanDerWaalsContact O-OG1 3.14Å
66G82.9Confident86.3Confident10 Ų1057.6 Ų57.610%0.10331%0.311CS..  trans63.626.517000000117D73 V74 T75G66-D73 WeakPolarHBondContact CA-OD1 3.28Å; G66-D73 CarbonylContact O-C 3.15Å; G66-D73 VanDerWaalsContact O-C 3.28Å; G66-D73 WeakPolarHBondContact O-CA 3.17Å; G66-V74 PolarHBondContact O-N 3.14Å; G66-T75 WeakPolarHBondContact CA-OG1 3.27Å; G66-T75 WeakPolarHBondContact O-CB 3.38Å; G66-T75 PolarHBondContact O-N 3.27Å; G66-T75 PolarHBondContact O-OG1 2.86Å
67I82.7Confident86.3Confident54 Ų5454.2 Ų54.228%0.27729%0.291SS..  trans-119.49.9179.660.6161.1000113.7G65 D73 T75 Y76 L114 T127G65-I67 PolarHBondContact O-N 3.29Å; I67-D73 PolarHBondContact N-OD1 3.32Å; I67-D73 VanDerWaalsContact N-OD1 3.12Å; I67-T75 HydrophobicContact CG2-CG2 4.28Å; I67-Y76 HydrophobicContact CB-CE1 4.3Å; I67-Y76 HydrophobicContact CB-CE2 4.08Å; I67-Y76 HydrophobicContact CG2-CD1 3.9Å; I67-Y76 HydrophobicContact CG2-CD2 4.42Å; I67-Y76 HydrophobicContact CG2-CE1 3.45Å; I67-Y76 VanDerWaalsContact CG2-CE1 3.45Å; I67-Y76 HydrophobicContact CG2-CE2 4.04Å; I67-Y76 HydrophobicContact CG2-CG 4.35Å; I67-L114 WeakPolarHBondContact O-CD2 3.26Å; I67-T127 WeakPolarHBondContact CD1-O 3.36Å
68G80.1Confident86.3Confident29 Ų2947.3 Ų47.330%0.29927%0.265SS..SBendtrans-77.1-161.1176.700000113.5D73 L114G68-D73 WeakPolarHBondContact CA-OD1 3.47Å; G68-D73 WeakPolarHBondContact CA-OD2 3.18Å; G68-D73 PolarHBondContact N-OD1 3.45Å; G68-D73 PolarHBondContact N-OD2 2.94Å; G68-D73 WeakPolarHBondContact O-CB 3.41Å; G68-L114 WeakPolarHBondContact O-CD2 3.46Å
69S77.7Confident86.2Confident39 Ų3947.3 Ų47.327%0.27327%0.267SS..SBendtrans-98.5-6.2-17661.70000114.3D73 L110S69-D73 PolarHBondContact N-OD2 2.98Å; S69-L110 VanDerWaalsContact O-CD2 3.23Å; S69-L110 WeakPolarHBondContact O-CD2 3.15Å
70T81.7Confident86.4Confident74 Ų7441.8 Ų41.845%0.45424%0.238SC..SBendtrans-79.3161.9-177.753.70000110.5D72 D73 K113T70-D72 WeakPolarHBondContact CB-OD1 3.21Å; T70-D72 PolarHBondContact O-N 3.45Å; T70-D72 PolarHBondContact OG1-OD1 3.12Å; T70-D73 PolarHBondContact N-OD2 3.49Å; T70-D73 WeakPolarHBondContact O-CB 3.42Å; T70-D73 PolarHBondContact O-N 2.94Å; T70-D73 VanDerWaalsContact O-N 3.16Å; T70-D73 PolarHBondContact OG1-OD2 3.15Å; T70-K113 PolarHBondContact O-NZ 2.84Å
71H79.4Confident86.7Confident169 Ų16943.2 Ų43.278%0.78225%0.245SC*.THydrogen-bonded Turntrans-66.9-28-170.163.463.8000113.2D73H71-D73 VanDerWaalsContact C-N 3.33Å
72D83.5Confident86.8Confident68 Ų6842 Ų4236%0.36424%0.24SC..THydrogen-bonded Turntrans-76.6-13.8176.453-16.1000113D42 T70 V74D42-D72 HydrophobicContact CB-CB 4.42Å; T70-D72 WeakPolarHBondContact CB-OD1 3.21Å; T70-D72 PolarHBondContact O-N 3.45Å; T70-D72 PolarHBondContact OG1-OD1 3.12Å; D72-V74 VanDerWaalsContact C-N 3.34Å; D72-V74 PolarHBondContact O-N 2.81Å
73D86.3Confident86.8Confident22 Ų2241.2 Ų41.212%0.11824%0.236CC..  trans-70.590.3168.7-69.6-66.3000110.5G66 I67 G68 S69 T70 H71 K113G66-D73 WeakPolarHBondContact CA-OD1 3.28Å; G66-D73 CarbonylContact O-C 3.15Å; G66-D73 VanDerWaalsContact O-C 3.28Å; G66-D73 WeakPolarHBondContact O-CA 3.17Å; I67-D73 PolarHBondContact N-OD1 3.32Å; I67-D73 VanDerWaalsContact N-OD1 3.12Å; G68-D73 WeakPolarHBondContact CA-OD1 3.47Å; G68-D73 WeakPolarHBondContact CA-OD2 3.18Å; G68-D73 PolarHBondContact N-OD1 3.45Å; G68-D73 PolarHBondContact N-OD2 2.94Å; G68-D73 WeakPolarHBondContact O-CB 3.41Å; S69-D73 PolarHBondContact N-OD2 2.98Å; T70-D73 PolarHBondContact N-OD2 3.49Å; T70-D73 WeakPolarHBondContact O-CB 3.42Å; T70-D73 PolarHBondContact O-N 2.94Å; T70-D73 VanDerWaalsContact O-N 3.16Å; T70-D73 PolarHBondContact OG1-OD2 3.15Å; H71-D73 VanDerWaalsContact C-N 3.33Å; D73-K113 VanDerWaalsContact O-CE 3.23Å; D73-K113 WeakPolarHBondContact O-CE 3.41Å; D73-K113 PolarHBondContact O-NZ 3.17Å
74V90.7Very high86.9Confident27 Ų2746.3 Ų46.316%0.16426%0.262CS..  trans-12214.2-174.9-61.30000113.6D42 I47 G66 D72 Y76 E77 G78D42-V74 WeakPolarHBondContact O-CG2 3.15Å; I47-V74 HydrophobicContact CD1-CG2 3.98Å; G66-V74 PolarHBondContact O-N 3.14Å; D72-V74 VanDerWaalsContact C-N 3.34Å; D72-V74 PolarHBondContact O-N 2.81Å; V74-Y76 PolarHBondContact O-N 2.93Å; V74-E77 WeakPolarHBondContact CA-OE2 3.28Å; V74-E77 PolarHBondContact O-N 3.15Å; V74-G78 PolarHBondContact O-N 3.39Å
75T90.5Very high87.1Confident8 Ų850 Ų505%0.04927%0.273CS..Hα-helixtrans-64.8-40.2-176-67.10000112.3T63 G65 G66 I67 G78 V79T63-T75 HydrophobicContact CG2-CG2 4.25Å; T63-T75 WeakPolarHBondContact OG1-CG2 3.47Å; G65-T75 PolarHBondContact O-OG1 3.37Å; G65-T75 VanDerWaalsContact O-OG1 3.14Å; G66-T75 WeakPolarHBondContact CA-OG1 3.27Å; G66-T75 WeakPolarHBondContact O-CB 3.38Å; G66-T75 PolarHBondContact O-N 3.27Å; G66-T75 PolarHBondContact O-OG1 2.86Å; I67-T75 HydrophobicContact CG2-CG2 4.28Å; T75-G78 PolarHBondContact O-N 3.06Å; T75-V79 HydrophobicContact CG2-CG2 4.28Å; T75-V79 WeakPolarHBondContact O-CB 3.36Å; T75-V79 VanDerWaalsContact O-CG2 3.25Å; T75-V79 WeakPolarHBondContact O-CG2 3.2Å; T75-V79 PolarHBondContact O-N 2.85Å
76Y89.8Confident87.2Confident24 Ų2456.9 Ų56.99%0.09430%0.296CS..Hα-helixtrans-67.5-37.5177.3-69.6-27.8000112.2I67 V74 A80 K116 I117 I129I67-Y76 HydrophobicContact CB-CE1 4.3Å; I67-Y76 HydrophobicContact CB-CE2 4.08Å; I67-Y76 HydrophobicContact CG2-CD1 3.9Å; I67-Y76 HydrophobicContact CG2-CD2 4.42Å; I67-Y76 HydrophobicContact CG2-CE1 3.45Å; I67-Y76 VanDerWaalsContact CG2-CE1 3.45Å; I67-Y76 HydrophobicContact CG2-CE2 4.04Å; I67-Y76 HydrophobicContact CG2-CG 4.35Å; V74-Y76 PolarHBondContact O-N 2.93Å; Y76-A80 WeakPolarHBondContact O-CB 3.46Å; Y76-A80 PolarHBondContact O-N 3.28Å; Y76-K116 WeakPolarHBondContact CD2-O 3.39Å; Y76-I117 HydrophobicContact CE2-CG2 4.43Å; Y76-I129 HydrophobicContact CD1-CD1 4.25Å; Y76-I129 HydrophobicContact CE1-CB 4.44Å; Y76-I129 HydrophobicContact CE1-CD1 3.51Å; Y76-I129 HydrophobicContact CE1-CG1 4.09Å; Y76-I129 HydrophobicContact CE2-CD1 3.99Å; Y76-I129 WeakPolarHBondContact OH-CD1 2.97Å
77E90.9Very high87.2Confident60 Ų6058.6 Ų58.628%0.2830%0.304SS..Hα-helixtrans-63-47.1174.4-69.280.6176.600111.1V74 A80 K81V74-E77 WeakPolarHBondContact CA-OE2 3.28Å; V74-E77 PolarHBondContact O-N 3.15Å; E77-A80 PolarHBondContact O-N 3.19Å; E77-K81 WeakPolarHBondContact O-CB 3.49Å; E77-K81 PolarHBondContact O-N 3.29Å
78G92Very high87.3Confident0 Ų059.5 Ų59.50%031%0.312CS..Hα-helixtrans-63.3-43.7176.900000113.1S44 S48 V74 T75 K81 A82S44-G78 WeakPolarHBondContact O-CA 3.26Å; S48-G78 WeakPolarHBondContact CA-O 3.34Å; V74-G78 PolarHBondContact O-N 3.39Å; T75-G78 PolarHBondContact O-N 3.06Å; G78-K81 WeakPolarHBondContact O-CB 3.22Å; G78-K81 PolarHBondContact O-N 3.18Å; G78-A82 PolarHBondContact O-N 2.89Å
79V91.4Very high87.3Confident19 Ų1961.7 Ų61.712%0.11532%0.316CS..Hα-helixtrans-64.6-43.2175.4171.30000111.3V51 T63 T75 K81 A82 L83 P118 M131V51-V79 HydrophobicContact CG2-CG2 4.23Å; T63-V79 HydrophobicContact CG2-CG2 4.12Å; T75-V79 HydrophobicContact CG2-CG2 4.28Å; T75-V79 WeakPolarHBondContact O-CB 3.36Å; T75-V79 VanDerWaalsContact O-CG2 3.25Å; T75-V79 WeakPolarHBondContact O-CG2 3.2Å; T75-V79 PolarHBondContact O-N 2.85Å; V79-K81 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 2.65Å; V79-A82 PolarHBondContact O-N 3.23Å; V79-L83 HydrophobicContact CG1-CD1 3.96Å; V79-L83 PolarHBondContact O-N 3.49Å; V79-L83 VanDerWaalsContact O-N 3.14Å; V79-P118 HydrophobicContact CB-CG 4.48Å; V79-P118 HydrophobicContact CG1-CG 4.2Å; V79-M131 HydrophobicContact CG1-SD 3.87Å
80A91.2Very high87.4Confident4 Ų462 Ų623%0.03331%0.313CS..Hα-helixtrans-61-41.9175.800000111.3Y76 E77 L83 N84 K85 T87 P118Y76-A80 WeakPolarHBondContact O-CB 3.46Å; Y76-A80 PolarHBondContact O-N 3.28Å; E77-A80 PolarHBondContact O-N 3.19Å; A80-L83 PolarHBondContact O-N 3.37Å; A80-N84 PolarHBondContact O-N 3.29Å; A80-N84 VanDerWaalsContact O-N 3.17Å; A80-K85 CarbonylContact C-O 3.58Å; A80-K85 PolarHBondContact O-N 2.81Å; A80-K85 VanDerWaalsContact O-O 3.06Å; A80-T87 HydrophobicContact CB-CG2 3.7Å; A80-P118 HydrophobicContact CB-CB 3.94Å; A80-P118 HydrophobicContact CB-CG 4.12Å
81K92.8Very high87.1Confident104 Ų10463 Ų6345%0.45232%0.321SS..Hα-helixtrans-61.4-45.3175.6-168.4-177.7-173.5-172.60111.6D45 S48 E77 G78 V79 L83 N84D45-K81 IonicContact OD1-NZ 3.02Å; D45-K81 PolarHBondContact OD1-NZ 2.92Å; D45-K81 IonicContact OD2-NZ 3.9Å; D45-K81 PolarHBondContact OD2-NZ 3.41Å; S48-K81 WeakPolarHBondContact OG-CG 3.38Å; E77-K81 WeakPolarHBondContact O-CB 3.49Å; E77-K81 PolarHBondContact O-N 3.29Å; G78-K81 WeakPolarHBondContact O-CB 3.22Å; G78-K81 PolarHBondContact O-N 3.18Å; V79-K81 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 2.65Å; K81-L83 VanDerWaalsContact C-N 3.26Å; K81-L83 PolarHBondContact O-N 3.32Å; K81-N84 PolarHBondContact O-N 2.83Å; K81-N84 VanDerWaalsContact O-N 3.08Å
82A91.3Very high86.8Confident17 Ų1761.8 Ų61.814%0.1431%0.314CS..Hα-helixtrans-59.2-36.7177.700000113S48 V51 C52 M55 G78 V79 N84S48-A82 WeakPolarHBondContact O-CB 3.35Å; S48-A82 WeakPolarHBondContact OG-CA 3.4Å; S48-A82 PolarHBondContact OG-N 3.42Å; S48-A82 VanDerWaalsContact OG-N 3.14Å; V51-A82 HydrophobicContact CB-CB 3.83Å; V51-A82 HydrophobicContact CG1-CB 3.65Å; C52-A82 HydrophobicContact CB-CB 4.44Å; M55-A82 HydrophobicContact CE-CB 3.9Å; G78-A82 PolarHBondContact O-N 2.89Å; V79-A82 PolarHBondContact O-N 3.23Å; A82-N84 VanDerWaalsContact C-N 3.31Å
83L89.7Confident86.1Confident31 Ų3158.6 Ų58.616%0.16230%0.297CS..THydrogen-bonded Turntrans-87.60.9-179.2-69168.8000113.6M55 V79 A80 K81 K85 M131M55-L83 HydrophobicContact CE-CD2 3.77Å; M55-L83 HydrophobicContact CE-CG 4.22Å; M55-L83 HydrophobicContact SD-CD2 3.34Å; M55-L83 WeakPolarHBondContact SD-CD2 3.17Å; M55-L83 HydrophobicContact SD-CG 4.07Å; V79-L83 HydrophobicContact CG1-CD1 3.96Å; V79-L83 PolarHBondContact O-N 3.49Å; V79-L83 VanDerWaalsContact O-N 3.14Å; A80-L83 PolarHBondContact O-N 3.37Å; K81-L83 VanDerWaalsContact C-N 3.26Å; K81-L83 PolarHBondContact O-N 3.32Å; L83-K85 HydrophobicContact CB-CB 4.41Å; L83-K85 HydrophobicContact CB-CG 3.88Å; L83-K85 PolarHBondContact O-N 3.09Å; L83-M131 HydrophobicContact CD1-CE 3.29Å; L83-M131 HydrophobicContact CD1-SD 3.25Å; L83-M131 WeakPolarHBondContact CD1-SD 3.45Å
84N90.6Very high85.4Confident154 Ų15459 Ų5982%0.82430%0.299SS*.THydrogen-bonded Turntrans5241.7-171.5-162.121.3000112.2A80 K81 A82A80-N84 PolarHBondContact O-N 3.29Å; A80-N84 VanDerWaalsContact O-N 3.17Å; K81-N84 PolarHBondContact O-N 2.83Å; K81-N84 VanDerWaalsContact O-N 3.08Å; A82-N84 VanDerWaalsContact C-N 3.31Å
85K89.5Confident84.5Confident108 Ų10863.5 Ų63.547%0.4732%0.318SS..  trans-115.8161.7177.4-61.1-60179.6179.10109.9A80 L83 V119A80-K85 CarbonylContact C-O 3.58Å; A80-K85 PolarHBondContact O-N 2.81Å; A80-K85 VanDerWaalsContact O-O 3.06Å; L83-K85 HydrophobicContact CB-CB 4.41Å; L83-K85 HydrophobicContact CB-CG 3.88Å; L83-K85 PolarHBondContact O-N 3.09Å; K85-V119 HydrophobicContact CB-CB 4.39Å
86K86Confident83.5Confident174 Ų17465.5 Ų65.576%0.75733%0.33SS*.  trans-91.4159.6169.4-64.8-177.6179.1179.80109.6V119K86-V119 VanDerWaalsContact O-CG2 3.28Å; K86-V119 WeakPolarHBondContact O-CG2 2.96Å; K86-V119 PolarHBondContact O-N 2.97Å
87T83.6Confident82.5Confident46 Ų4665.2 Ų65.228%0.28233%0.329SS..EExtended strand (participates in β ladder)trans-84144.216256.50000109.9A80 I117A80-T87 HydrophobicContact CB-CG2 3.7Å; T87-I117 CarbonylContact C-O 3.48Å; T87-I117 VanDerWaalsContact CA-O 3.23Å; T87-I117 WeakPolarHBondContact CA-O 3.22Å
88T83.9Confident81.4Confident73 Ų7370.6 Ų70.645%0.44835%0.347SS..EExtended strand (participates in β ladder)trans-135152.1177.6-170.80000110.4H90 K116 I117 V119T88-H90 PolarHBondContact O-N 2.9Å; T88-K116 CarbonylContact O-C 3.46Å; T88-K116 WeakPolarHBondContact O-CA 3.34Å; T88-I117 PolarHBondContact N-O 3.09Å; T88-I117 PolarHBondContact O-N 3.45Å; T88-V119 HydrophobicContact CG2-CG2 3.83Å
89I81.5Confident80.1Confident75 Ų7577 Ų7739%0.38538%0.38SS..EExtended strand (participates in β ladder)trans-74.8116.8177.5-60.4172.4000108.4L94 I112 A115 K116I89-L94 HydrophobicContact CG2-CB 4.33Å; I89-L94 HydrophobicContact CG2-CD1 4.45Å; I89-L94 HydrophobicContact CG2-CD2 4.21Å; I89-I112 HydrophobicContact CD1-CG2 3.74Å; I89-I112 HydrophobicContact CG1-CG2 4.31Å; I89-A115 WeakPolarHBondContact CA-O 3.2Å; I89-A115 HydrophobicContact CG2-CB 3.96Å; I89-K116 HydrophobicContact CG1-CG 4.08Å
90H78.4Confident78.7Confident44 Ų4479.7 Ų79.720%0.20440%0.4CS..  trans-85.2122.2177.9-170.8-98.9000111.2T88 K92 S93 L94 A115 I117T88-H90 PolarHBondContact O-N 2.9Å; H90-K92 PolarHBondContact O-N 3.16Å; H90-S93 PolarHBondContact ND1-N 3.01Å; H90-S93 WeakPolarHBondContact O-CB 3.3Å; H90-S93 PolarHBondContact O-N 2.87Å; H90-L94 PolarHBondContact O-N 2.98Å; H90-A115 PolarHBondContact N-O 3.15Å; H90-I117 HydrophobicContact CB-CD1 3.45Å; H90-I117 VanDerWaalsContact CB-CD1 3.45Å; H90-I117 HydrophobicContact CB-CG1 3.81Å; H90-I117 HydrophobicContact CB-CG2 4.43Å
91P75.3Confident77Confident95 Ų9582 Ų8262%0.61743%0.425SS*.Hα-helixtrans-63-41.6-170.422.3-32.7000113.1S93 L94 Q95P91-S93 VanDerWaalsContact C-N 3.3Å; P91-S93 PolarHBondContact O-N 3.39Å; P91-L94 PolarHBondContact O-N 3.32Å; P91-Q95 WeakPolarHBondContact O-CB 2.76Å; P91-Q95 PolarHBondContact O-N 2.75Å
92K73.4Confident75.2Confident145 Ų14579.8 Ų79.863%0.6342%0.417SS*.Hα-helixtrans-65.7-36175.7-63.7-177.2178176.40111.9H90 Q95 T96H90-K92 PolarHBondContact O-N 3.16Å; K92-Q95 PolarHBondContact O-N 3.27Å; K92-T96 WeakPolarHBondContact O-CB 3.22Å; K92-T96 PolarHBondContact O-N 2.89Å; K92-T96 PolarHBondContact O-OG1 2.84Å
93S69.3Low73.1Confident1 Ų184.5 Ų84.51%0.00744%0.44CS..Hα-helixtrans-68.6-40.8-179.7-161.70000110.8H90 P91 R97H90-S93 PolarHBondContact ND1-N 3.01Å; H90-S93 WeakPolarHBondContact O-CB 3.3Å; H90-S93 PolarHBondContact O-N 2.87Å; P91-S93 VanDerWaalsContact C-N 3.3Å; P91-S93 PolarHBondContact O-N 3.39Å; S93-R97 WeakPolarHBondContact O-CG 3.18Å; S93-R97 PolarHBondContact O-N 3.02Å; S93-R97 PolarHBondContact OG-NH1 3.04Å
94L71.9Confident71.3Confident30 Ų3093.5 Ų93.516%0.15748%0.478CS..Hα-helixtrans-63-44.6172.9-171.471.2000111.8I89 H90 P91 R97 R98 I111 A115I89-L94 HydrophobicContact CG2-CB 4.33Å; I89-L94 HydrophobicContact CG2-CD1 4.45Å; I89-L94 HydrophobicContact CG2-CD2 4.21Å; H90-L94 PolarHBondContact O-N 2.98Å; P91-L94 PolarHBondContact O-N 3.32Å; L94-R97 PolarHBondContact O-N 2.89Å; L94-R98 WeakPolarHBondContact O-CG 3.49Å; L94-R98 PolarHBondContact O-N 2.97Å; L94-I111 HydrophobicContact CD1-CG2 3.87Å; L94-A115 HydrophobicContact CB-CB 3.91Å; L94-A115 HydrophobicContact CD1-CB 3.79Å; L94-A115 HydrophobicContact CG-CB 4.49Å
95Q72.5Confident69.6Low121 Ų12193.3 Ų93.357%0.56548%0.475SS*.Hα-helixtrans-63.5-49.7179.7-174.7175.811.200111.8P91 K92 R97 R98 L99P91-Q95 WeakPolarHBondContact O-CB 2.76Å; P91-Q95 PolarHBondContact O-N 2.75Å; K92-Q95 PolarHBondContact O-N 3.27Å; Q95-R97 VanDerWaalsContact C-N 3.28Å; Q95-R97 PolarHBondContact O-N 2.99Å; Q95-R98 PolarHBondContact O-N 3.22Å; Q95-L99 HydrophobicContact CG-CD1 3.95Å; Q95-L99 HydrophobicContact CG-CG 4.47Å; Q95-L99 WeakPolarHBondContact O-CG 3.49Å; Q95-L99 PolarHBondContact O-N 2.93Å
96T68.1Low67.9Low51 Ų5192.7 Ų92.731%0.31347%0.473SS..Hα-helixtrans-58.2-41.4179.1-60.90000111.7K92 L99 S100 T126K92-T96 WeakPolarHBondContact O-CB 3.22Å; K92-T96 PolarHBondContact O-N 2.89Å; K92-T96 PolarHBondContact O-OG1 2.84Å; T96-L99 PolarHBondContact O-N 3.38Å; T96-S100 WeakPolarHBondContact O-CB 3.35Å; T96-S100 PolarHBondContact O-N 3.08Å; T96-S100 PolarHBondContact O-OG 2.9Å; T96-T126 HydrophobicContact CG2-CG2 3.62Å
97R68.7Low66.7Low18 Ų1891.6 Ų91.67%0.06847%0.468CS..Hα-helixtrans-73.1-27.7179.7-68.5-166.8-176.8115.1-22.5114.1S93 L94 Q95 S100 L102 I111 L114 A115S93-R97 WeakPolarHBondContact O-CG 3.18Å; S93-R97 PolarHBondContact O-N 3.02Å; S93-R97 PolarHBondContact OG-NH1 3.04Å; L94-R97 PolarHBondContact O-N 2.89Å; Q95-R97 VanDerWaalsContact C-N 3.28Å; Q95-R97 PolarHBondContact O-N 2.99Å; R97-S100 PolarHBondContact O-OG 3.19Å; R97-L102 HydrophobicContact CB-CD1 4.11Å; R97-I111 HydrophobicContact CB-CG2 4.17Å; R97-L114 VanDerWaalsContact CD-CB 3.5Å; R97-L114 VanDerWaalsContact CZ-CB 3.46Å; R97-L114 PolarHBondContact NH1-O 2.63Å; R97-L114 PolarHBondContact NH2-O 2.75Å; R97-A115 VanDerWaalsContact NH1-CA 3.27Å; R97-A115 VanDerWaalsContact NH1-N 3.16Å
98R67.4Low66Low173 Ų17393 Ų9365%0.65348%0.48SS*.Hα-helixtrans-68.7-37168.3-74.5177.6174.8-177.2-1.2111.7L94 Q95 I111L94-R98 WeakPolarHBondContact O-CG 3.49Å; L94-R98 PolarHBondContact O-N 2.97Å; Q95-R98 PolarHBondContact O-N 3.22Å; R98-I111 HydrophobicContact CG-CG2 4.35Å
99L66.7Low65.5Low133 Ų13394.6 Ų94.670%0.69649%0.486SS*.Hα-helixtrans-79.4-29.4-178.7-69173.5000113.4Q95 T96 G101Q95-L99 HydrophobicContact CG-CD1 3.95Å; Q95-L99 HydrophobicContact CG-CG 4.47Å; Q95-L99 WeakPolarHBondContact O-CG 3.49Å; Q95-L99 PolarHBondContact O-N 2.93Å; T96-L99 PolarHBondContact O-N 3.38Å; L99-G101 PolarHBondContact O-N 3.04Å
100S61.5Low65.1Low76 Ų7693.4 Ų93.453%0.53148%0.48SS..THydrogen-bonded Turntrans-71.714.6-17567.80000114.8T96 R97 L102T96-S100 WeakPolarHBondContact O-CB 3.35Å; T96-S100 PolarHBondContact O-N 3.08Å; T96-S100 PolarHBondContact O-OG 2.9Å; R97-S100 PolarHBondContact O-OG 3.19Å; S100-L102 PolarHBondContact O-N 2.9Å; S100-L102 VanDerWaalsContact O-N 3.17Å
101G55Low64.8Low54 Ų5492.5 Ų92.556%0.55748%0.476SS*.THydrogen-bonded Turntrans63.524.5174.300000114.1L99 N103L99-G101 PolarHBondContact O-N 3.04Å; G101-N103 PolarHBondContact O-N 3.39Å
102L54.6Low64.9Low57 Ų5790.7 Ų90.730%0.29846%0.461SS..  trans-53.4101.5160-89.4154.5000105.3R97 S100 F106 L114R97-L102 HydrophobicContact CB-CD1 4.11Å; S100-L102 PolarHBondContact O-N 2.9Å; S100-L102 VanDerWaalsContact O-N 3.17Å; L102-F106 HydrophobicContact CD2-CD1 4.42Å; L102-F106 HydrophobicContact CD2-CD2 4.15Å; L102-F106 HydrophobicContact CD2-CE2 4.23Å; L102-F106 HydrophobicContact CD2-CG 4.26Å; L102-F106 HydrophobicContact CD2-CZ 4.42Å; L102-L114 HydrophobicContact CD1-CD1 4.39Å
103N47.2Very low65.2Low116 Ų11685.9 Ų85.962%0.6244%0.44SS*.  trans-43.2143.3-164.5-90.8-40.6000110.6G101 I105 F106G101-N103 PolarHBondContact O-N 3.39Å; N103-I105 PolarHBondContact O-N 2.9Å; N103-F106 PolarHBondContact O-N 3.4Å
104K52.1Low65.5Low219 Ų21986.9 Ų86.995%0.95245%0.445SS*.THydrogen-bonded Turntrans-46.7-0.3176.9-87.2177.1171.7176.30116.4
105I54.7Low65.9Low151 Ų15185.4 Ų85.477%0.77444%0.438SS*.THydrogen-bonded Turntrans-99.6-12.5179.6-59.2171.2000111.8N103 F107N103-I105 PolarHBondContact O-N 2.9Å; I105-F107 PolarHBondContact O-N 3.44Å
106F54.1Low66.2Low95 Ų9583.5 Ų83.542%0.41743%0.427SS..SBendtrans-72.8122.3176.6-87.2-90.6000111.4L102 N103 S108 L110L102-F106 HydrophobicContact CD2-CD1 4.42Å; L102-F106 HydrophobicContact CD2-CD2 4.15Å; L102-F106 HydrophobicContact CD2-CE2 4.23Å; L102-F106 HydrophobicContact CD2-CG 4.26Å; L102-F106 HydrophobicContact CD2-CZ 4.42Å; N103-F106 PolarHBondContact O-N 3.4Å; F106-S108 PolarHBondContact O-N 2.95Å; F106-L110 HydrophobicContact CD1-CB 4.37Å; F106-L110 HydrophobicContact CD1-CD1 3.58Å; F106-L110 HydrophobicContact CE1-CD1 4.13Å
107F61.2Low66.9Low150 Ų15081.2 Ų81.266%0.65841%0.413SS*.  trans-49.7135175.4-79.5-93.3000110.4I105 D109 L110I105-F107 PolarHBondContact O-N 3.44Å; F107-D109 PolarHBondContact O-N 3.29Å; F107-L110 HydrophobicContact CB-CD1 4.23Å; F107-L110 PolarHBondContact O-N 3.27Å
108S67.6Low67.4Low76 Ų7680.4 Ų80.453%0.53141%0.41SS..Hα-helixtrans-43.2-35.8175.4470000112.5F106 L110 I111 I112F106-S108 PolarHBondContact O-N 2.95Å; S108-L110 PolarHBondContact O-N 3.24Å; S108-I111 PolarHBondContact O-N 3.04Å; S108-I112 WeakPolarHBondContact O-CB 3.42Å; S108-I112 WeakPolarHBondContact O-CD1 3.43Å; S108-I112 WeakPolarHBondContact O-CG1 3.45Å; S108-I112 PolarHBondContact O-N 3.09Å
109D75.1Confident67.9Low106 Ų10675.1 Ų75.157%0.56740%0.397SS*.Hα-helixtrans-69.6-32.3-174.3-56.4-14.5000112.5F107 I112 K113F107-D109 PolarHBondContact O-N 3.29Å; D109-I112 PolarHBondContact O-N 3.06Å; D109-K113 WeakPolarHBondContact O-CB 3.48Å; D109-K113 PolarHBondContact O-N 2.9Å
110L72.8Confident68.2Low50 Ų5072 Ų7226%0.26239%0.391SS..Hα-helixtrans-71.1-42.7177.3-67.8162.3000111S69 F106 F107 S108 I112 K113 L114S69-L110 VanDerWaalsContact O-CD2 3.23Å; S69-L110 WeakPolarHBondContact O-CD2 3.15Å; F106-L110 HydrophobicContact CD1-CB 4.37Å; F106-L110 HydrophobicContact CD1-CD1 3.58Å; F106-L110 HydrophobicContact CE1-CD1 4.13Å; F107-L110 HydrophobicContact CB-CD1 4.23Å; F107-L110 PolarHBondContact O-N 3.27Å; S108-L110 PolarHBondContact O-N 3.24Å; L110-I112 VanDerWaalsContact C-N 3.31Å; L110-K113 PolarHBondContact O-N 2.92Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 WeakPolarHBondContact O-CG 3.44Å; L110-L114 PolarHBondContact O-N 3.29Å
111I72.3Confident68.7Low25 Ų2569.1 Ų69.113%0.12837%0.37CS..Hα-helixtrans-65.3-40.7176.1-57.8-179000109.8L94 R97 R98 S108 A115L94-I111 HydrophobicContact CD1-CG2 3.87Å; R97-I111 HydrophobicContact CB-CG2 4.17Å; R98-I111 HydrophobicContact CG-CG2 4.35Å; S108-I111 PolarHBondContact O-N 3.04Å; I111-A115 WeakPolarHBondContact O-CB 3.36Å; I111-A115 PolarHBondContact O-N 2.95Å
112I76.7Confident69.4Low57 Ų5771.6 Ų71.629%0.29237%0.368SS..Hα-helixtrans-63.4-46.7175-71.7165.4000110.7I89 S108 D109 L110 L114 A115 K116I89-I112 HydrophobicContact CD1-CG2 3.74Å; I89-I112 HydrophobicContact CG1-CG2 4.31Å; S108-I112 WeakPolarHBondContact O-CB 3.42Å; S108-I112 WeakPolarHBondContact O-CD1 3.43Å; S108-I112 WeakPolarHBondContact O-CG1 3.45Å; S108-I112 PolarHBondContact O-N 3.09Å; D109-I112 PolarHBondContact O-N 3.06Å; L110-I112 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 3.48Å; I112-A115 PolarHBondContact O-N 3.02Å; I112-A115 VanDerWaalsContact O-N 3.12Å; I112-K116 WeakPolarHBondContact O-CG 2.95Å; I112-K116 PolarHBondContact O-N 3.28Å; I112-K116 VanDerWaalsContact O-N 3.15Å
113K80Confident69.9Low44 Ų4470.7 Ų70.719%0.19136%0.363CS..Hα-helixtrans-55.4-53.7177.9176.6172.2179172.50110.4T70 D73 D109 L110 A115 K116T70-K113 PolarHBondContact O-NZ 2.84Å; D73-K113 VanDerWaalsContact O-CE 3.23Å; D73-K113 WeakPolarHBondContact O-CE 3.41Å; D73-K113 PolarHBondContact O-NZ 3.17Å; D109-K113 WeakPolarHBondContact O-CB 3.48Å; D109-K113 PolarHBondContact O-N 2.9Å; L110-K113 PolarHBondContact O-N 2.92Å; K113-A115 PolarHBondContact O-N 2.89Å; K113-K116 WeakPolarHBondContact O-CB 3.42Å; K113-K116 PolarHBondContact O-N 3.22Å
114L76.2Confident70.5Confident22 Ų2269.9 Ų69.912%0.11536%0.358CS..Hα-helixtrans-56-40.1178.7-77.3173.9000111.5I67 G68 R97 L102 L110 I112 K116I67-L114 WeakPolarHBondContact O-CD2 3.26Å; G68-L114 WeakPolarHBondContact O-CD2 3.46Å; R97-L114 VanDerWaalsContact CD-CB 3.5Å; R97-L114 VanDerWaalsContact CZ-CB 3.46Å; R97-L114 PolarHBondContact NH1-O 2.63Å; R97-L114 PolarHBondContact NH2-O 2.75Å; L102-L114 HydrophobicContact CD1-CD1 4.39Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 WeakPolarHBondContact O-CG 3.44Å; L110-L114 PolarHBondContact O-N 3.29Å; I112-L114 PolarHBondContact O-N 3.48Å; L114-K116 VanDerWaalsContact C-N 3.26Å; L114-K116 PolarHBondContact O-N 3.23Å
115A78.7Confident70.6Confident0 Ų062.9 Ų62.90%034%0.336CS..Hα-helixtrans-74.1-9.2-179.600000114.6I89 H90 L94 R97 I111 I112 K113I89-A115 WeakPolarHBondContact CA-O 3.2Å; I89-A115 HydrophobicContact CG2-CB 3.96Å; H90-A115 PolarHBondContact N-O 3.15Å; L94-A115 HydrophobicContact CB-CB 3.91Å; L94-A115 HydrophobicContact CD1-CB 3.79Å; L94-A115 HydrophobicContact CG-CB 4.49Å; R97-A115 VanDerWaalsContact NH1-CA 3.27Å; R97-A115 VanDerWaalsContact NH1-N 3.16Å; I111-A115 WeakPolarHBondContact O-CB 3.36Å; I111-A115 PolarHBondContact O-N 2.95Å; I112-A115 PolarHBondContact O-N 3.02Å; I112-A115 VanDerWaalsContact O-N 3.12Å; K113-A115 PolarHBondContact O-N 2.89Å
116K80.1Confident70.4Confident80 Ų8059.9 Ų59.935%0.34833%0.325SS..EExtended strand (participates in β ladder)trans-75.7124.6173.6-71.7176.7-177.81780110Y76 T88 I89 I112 K113 L114Y76-K116 WeakPolarHBondContact CD2-O 3.39Å; T88-K116 CarbonylContact O-C 3.46Å; T88-K116 WeakPolarHBondContact O-CA 3.34Å; I89-K116 HydrophobicContact CG1-CG 4.08Å; I112-K116 WeakPolarHBondContact O-CG 2.95Å; I112-K116 PolarHBondContact O-N 3.28Å; I112-K116 VanDerWaalsContact O-N 3.15Å; K113-K116 WeakPolarHBondContact O-CB 3.42Å; K113-K116 PolarHBondContact O-N 3.22Å; L114-K116 VanDerWaalsContact C-N 3.26Å; L114-K116 PolarHBondContact O-N 3.23Å
117I81.6Confident70.3Confident3 Ų359.4 Ų59.42%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-133.3154.5177.972.4172.8000109.7Y76 T87 T88 H90 I129Y76-I117 HydrophobicContact CE2-CG2 4.43Å; T87-I117 CarbonylContact C-O 3.48Å; T87-I117 VanDerWaalsContact CA-O 3.23Å; T87-I117 WeakPolarHBondContact CA-O 3.22Å; T88-I117 PolarHBondContact N-O 3.09Å; T88-I117 PolarHBondContact O-N 3.45Å; H90-I117 HydrophobicContact CB-CD1 3.45Å; H90-I117 VanDerWaalsContact CB-CD1 3.45Å; H90-I117 HydrophobicContact CB-CG1 3.81Å; H90-I117 HydrophobicContact CB-CG2 4.43Å; I117-I129 HydrophobicContact CB-CD1 3.48Å; I117-I129 VanDerWaalsContact CB-CD1 3.48Å; I117-I129 HydrophobicContact CD1-CD1 4.39Å; I117-I129 HydrophobicContact CG2-CD1 3.21Å
118P80.1Confident69.9Low2 Ų253.3 Ų53.31%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-58.6144.2175-20.231.5000111.9V79 A80 S121 M131V79-P118 HydrophobicContact CB-CG 4.48Å; V79-P118 HydrophobicContact CG1-CG 4.2Å; A80-P118 HydrophobicContact CB-CB 3.94Å; A80-P118 HydrophobicContact CB-CG 4.12Å; P118-S121 WeakPolarHBondContact CB-OG 3.15Å; P118-S121 WeakPolarHBondContact O-CB 3.16Å; P118-S121 PolarHBondContact O-N 2.86Å; P118-S121 PolarHBondContact O-OG 2.5Å; P118-M131 HydrophobicContact CB-CE 3.64Å; P118-M131 HydrophobicContact CB-SD 3.68Å; P118-M131 HydrophobicContact CG-SD 4.01Å
119V77.1Confident69.2Low62 Ų6251.7 Ų51.738%0.37629%0.294SS..THydrogen-bonded Turntrans-63.2140.1172.9171.30000109.6K85 K86 T88 M131K85-V119 HydrophobicContact CB-CB 4.39Å; K86-V119 VanDerWaalsContact O-CG2 3.28Å; K86-V119 WeakPolarHBondContact O-CG2 2.96Å; K86-V119 PolarHBondContact O-N 2.97Å; T88-V119 HydrophobicContact CG2-CG2 3.83Å; V119-M131 WeakPolarHBondContact O-CE 3.16Å
120A73.7Confident68.5Low67 Ų6750.5 Ų50.555%0.55429%0.285SS*.THydrogen-bonded Turntrans76.616.5-17200000115.7M131A120-M131 HydrophobicContact CB-CE 4.44Å
121S71.6Confident67.7Low15 Ų1550.4 Ų50.411%0.10528%0.284CS..EExtended strand (participates in β ladder)trans-94.6139.6172.1-27.10000113.8P118 Q130 M131P118-S121 WeakPolarHBondContact CB-OG 3.15Å; P118-S121 WeakPolarHBondContact O-CB 3.16Å; P118-S121 PolarHBondContact O-N 2.86Å; P118-S121 PolarHBondContact O-OG 2.5Å; S121-Q130 CarbonylContact C-O 3.43Å; S121-Q130 WeakPolarHBondContact CA-O 3.35Å; S121-M131 WeakPolarHBondContact OG-CE 3.44Å; S121-M131 VanDerWaalsContact OG-CG 3.29Å; S121-M131 WeakPolarHBondContact OG-CG 3.33Å; S121-M131 PolarHBondContact OG-SD 3.24Å; S121-M131 VanDerWaalsContact OG-SD 3.33Å
122E70.4Confident66.7Low107 Ų10754.1 Ų54.150%0.530%0.3SS..EExtended strand (participates in β ladder)trans-95.7133.9167.7-177.5171-168.300110.5L124 I129 Q130E122-L124 PolarHBondContact O-N 3.39Å; E122-I129 CarbonylContact O-C 3.49Å; E122-I129 VanDerWaalsContact O-CA 3.27Å; E122-I129 WeakPolarHBondContact O-CA 3.19Å; E122-I129 WeakPolarHBondContact O-CG2 3.44Å; E122-Q130 PolarHBondContact N-O 3.19Å; E122-Q130 PolarHBondContact O-N 3.05Å
123L64.9Low65.4Low38 Ų3855.4 Ų55.420%0.19931%0.308CS..EExtended strand (participates in β ladder)trans-81.4110.8174-171.779.1000109.3C125 G128 I129L123-C125 WeakPolarHBondContact CD1-O 3.04Å; L123-C125 WeakPolarHBondContact CG-O 3.14Å; L123-G128 WeakPolarHBondContact CD1-O 3.25Å; L123-I129 HydrophobicContact CD1-CG1 4.08Å
124L60Low63.7Low99 Ų9962 Ų6252%0.51835%0.345SS..EExtended strand (participates in β ladder)trans-80.6-35.4-179.2-69.4-174.9000113.4E122 G128 Q130E122-L124 PolarHBondContact O-N 3.39Å; L124-G128 PolarHBondContact N-O 3.43Å; L124-Q130 HydrophobicContact CD1-CB 3.59Å; L124-Q130 HydrophobicContact CD2-CB 3.87Å; L124-Q130 HydrophobicContact CG-CB 3.59Å
125C54Low61.8Low72 Ų7266.1 Ų66.149%0.48638%0.376SS..EExtended strand (participates in β ladder)trans-155.2174.3173.3700000108.8L123 T127 G128L123-C125 WeakPolarHBondContact CD1-O 3.04Å; L123-C125 WeakPolarHBondContact CG-O 3.14Å; C125-T127 PolarHBondContact O-N 2.83Å; C125-G128 PolarHBondContact O-N 3.43Å
126T49.6Very low59.7Low88 Ų8868 Ų6854%0.5439%0.389SS..THydrogen-bonded Turntrans-52-15-170.7530000115.6T96T96-T126 HydrophobicContact CG2-CG2 3.62Å
127T53.3Low57.1Low85 Ų8574.1 Ų74.152%0.52141%0.412SS..THydrogen-bonded Turntrans-131.1-2.6178.248.90000115.1I67 C125I67-T127 WeakPolarHBondContact CD1-O 3.36Å; C125-T127 PolarHBondContact O-N 2.83Å
128G52Low54.3Low22 Ų2284.5 Ų84.523%0.22745%0.451CS..EExtended strand (participates in β ladder)trans-118.2148.8-172.600000113.5L123 L124 C125L123-G128 WeakPolarHBondContact CD1-O 3.25Å; L124-G128 PolarHBondContact N-O 3.43Å; C125-G128 PolarHBondContact O-N 3.43Å
129I53.8Low51.8Low42 Ų4290.9 Ų90.922%0.21548%0.483CS..EExtended strand (participates in β ladder)trans-134.3138.3-175.7-60-170.7000110.6Y76 I117 E122 L123Y76-I129 HydrophobicContact CD1-CD1 4.25Å; Y76-I129 HydrophobicContact CE1-CB 4.44Å; Y76-I129 HydrophobicContact CE1-CD1 3.51Å; Y76-I129 HydrophobicContact CE1-CG1 4.09Å; Y76-I129 HydrophobicContact CE2-CD1 3.99Å; Y76-I129 WeakPolarHBondContact OH-CD1 2.97Å; I117-I129 HydrophobicContact CB-CD1 3.48Å; I117-I129 VanDerWaalsContact CB-CD1 3.48Å; I117-I129 HydrophobicContact CD1-CD1 4.39Å; I117-I129 HydrophobicContact CG2-CD1 3.21Å; E122-I129 CarbonylContact O-C 3.49Å; E122-I129 VanDerWaalsContact O-CA 3.27Å; E122-I129 WeakPolarHBondContact O-CA 3.19Å; E122-I129 WeakPolarHBondContact O-CG2 3.44Å; L123-I129 HydrophobicContact CD1-CG1 4.08Å
130Q59.3Low49.4Very low81 Ų8196.1 Ų96.138%0.37953%0.533SS..EExtended strand (participates in β ladder)trans-114142.4168.8175.1170.5-10.800109.5S121 E122 L124S121-Q130 CarbonylContact C-O 3.43Å; S121-Q130 WeakPolarHBondContact CA-O 3.35Å; E122-Q130 PolarHBondContact N-O 3.19Å; E122-Q130 PolarHBondContact O-N 3.05Å; L124-Q130 HydrophobicContact CD1-CB 3.59Å; L124-Q130 HydrophobicContact CD2-CB 3.87Å; L124-Q130 HydrophobicContact CG-CB 3.59Å
131M56.1Low48.2Very low47 Ų4797.6 Ų97.623%0.23253%0.532CS..EExtended strand (participates in β ladder)trans-120.6126.2172-62.7-170.974.300108.2V79 L83 P118 V119 A120 S121V79-M131 HydrophobicContact CG1-SD 3.87Å; L83-M131 HydrophobicContact CD1-CE 3.29Å; L83-M131 HydrophobicContact CD1-SD 3.25Å; L83-M131 WeakPolarHBondContact CD1-SD 3.45Å; P118-M131 HydrophobicContact CB-CE 3.64Å; P118-M131 HydrophobicContact CB-SD 3.68Å; P118-M131 HydrophobicContact CG-SD 4.01Å; V119-M131 WeakPolarHBondContact O-CE 3.16Å; A120-M131 HydrophobicContact CB-CE 4.44Å; S121-M131 WeakPolarHBondContact OG-CE 3.44Å; S121-M131 VanDerWaalsContact OG-CG 3.29Å; S121-M131 WeakPolarHBondContact OG-CG 3.33Å; S121-M131 PolarHBondContact OG-SD 3.24Å; S121-M131 VanDerWaalsContact OG-SD 3.33Å
132E50.5Low47Very low103 Ų103101.9 Ų101.948%0.48155%0.554SS.*  trans-83.9125.6171.7-67.3-174.616100108.5
133N50.5Low45.7Very low85 Ų85101.6 Ų101.646%0.45556%0.557SS.*  trans-96153.7155.7-81-13.8000106.8S135 S136N133-S135 PolarHBondContact O-N 3.18Å; N133-S136 PolarHBondContact O-N 3.19Å; N133-S136 VanDerWaalsContact O-N 3.13Å; N133-S136 PolarHBondContact O-OG 3.48Å; N133-S136 VanDerWaalsContact O-OG 3.05Å
134D45.2Very low44.5Very low182 Ų182105.4 Ų105.497%0.97358%0.578SS**THydrogen-bonded Turntrans-59.919.1179.3-80.5-32.3000114.7
135S36.2Very low43.6Very low109 Ų109105.8 Ų105.876%0.76258%0.582SS**THydrogen-bonded Turntrans-129.74.1-178.6-45.50000114N133N133-S135 PolarHBondContact O-N 3.18Å
136S33.7Very low42.9Very low40 Ų40108 Ų10828%0.2859%0.588SS.*  trans-109.3113.2-179.248.50000112.7N133N133-S136 PolarHBondContact O-N 3.19Å; N133-S136 VanDerWaalsContact O-N 3.13Å; N133-S136 PolarHBondContact O-OG 3.48Å; N133-S136 VanDerWaalsContact O-OG 3.05Å
137Y25.7Very low42.4Very low207 Ų207109.4 Ų109.481%0.81259%0.592SS**PPolyproline II helixtrans-77.2144.5175.3-68.1-94.4000111.8I139Y137-I139 PolarHBondContact O-N 3.36Å
138R22.3Very low41.6Very low222 Ų222111.3 Ų111.384%0.83860%0.597SS**PPolyproline II helixtrans-64.6126.4168.4-73.6-178.3169-178.1-6.1110.6
139I26.7Very low40.7Very low136 Ų136118.8 Ų118.870%0.69763%0.628SS**PPolyproline II helixtrans-100.2134.9156.7-57.4177.9000106Y137Y137-I139 PolarHBondContact O-N 3.36Å
140A28Very low39.5Very low171 Ų171125.7 Ų125.7100%1.41367%0.666SS**  trans-50.60-175.700000114.9

Retrieved 140 of 140 residues in 42.4 ms (Link to these results)

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