A0A096NXL9_PAPAN Loading...

Fibronectin type III domain containing 9

AlphaFold DB , UniProt , Accession A0A096NXL9, Species PAPAN (Papio anubis, Olive baboon), Gene FNDC9, Length 224 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
1M82.2Confident89.6Confident35 Ų3563.7 Ų63.717%0.17235%0.345CS..  0123.10-178.2147.2134.800105.9W17 S18 Y28 I76 Y88M1-W17 HydrophobicContact CE-CB 3.84Å; M1-W17 HydrophobicContact CE-CD2 4.35Å; M1-W17 HydrophobicContact CE-CG 3.54Å; M1-W17 HydrophobicContact CG-CB 4.27Å; M1-W17 HydrophobicContact SD-CG 4.49Å; M1-S18 CarbonylContact C-O 3.46Å; M1-S18 WeakPolarHBondContact CA-O 3.49Å; M1-S18 WeakPolarHBondContact CG-O 3.4Å; M1-Y28 HydrophobicContact CE-CD1 4.05Å; M1-Y28 HydrophobicContact CE-CE1 4.04Å; M1-Y28 HydrophobicContact SD-CD1 4.48Å; M1-Y28 HydrophobicContact SD-CE1 3.94Å; M1-I76 HydrophobicContact CE-CB 3.64Å; M1-I76 HydrophobicContact CE-CD1 4.03Å; M1-I76 HydrophobicContact CE-CG1 4.45Å; M1-I76 HydrophobicContact CE-CG2 3.23Å; M1-Y88 HydrophobicContact CB-CD1 3.94Å; M1-Y88 HydrophobicContact CB-CD2 3.68Å; M1-Y88 HydrophobicContact CB-CE1 4.01Å; M1-Y88 HydrophobicContact CB-CE2 3.72Å; M1-Y88 HydrophobicContact CB-CG 3.78Å; M1-Y88 HydrophobicContact CG-CD2 4.4Å
2N88.1Confident89.6Confident88 Ų8859.1 Ų59.147%0.47132%0.323SS..EExtended strand (participates in β ladder)trans-91.7135.7175.9-171.522.5000108.3E4 W17 S18N2-E4 PolarHBondContact ND2-OE1 2.81Å; N2-W17 CarbonylContact O-C 3.26Å; N2-W17 WeakPolarHBondContact O-CA 3.47Å; N2-W17 WeakPolarHBondContact O-CB 2.99Å; N2-S18 PolarHBondContact N-O 2.88Å; N2-S18 PolarHBondContact O-N 3.39Å
3I91.9Very high89.9Confident22 Ų2254.6 Ų54.611%0.11330%0.299CS..EExtended strand (participates in β ladder)trans-117.7122.4177.7-55.3174.4000107.2I15 W17 L74 I76 Y88 T90I3-I15 HydrophobicContact CG2-CG2 3.81Å; I3-W17 HydrophobicContact CG1-CB 4.3Å; I3-L74 HydrophobicContact CG2-CD2 4.42Å; I3-I76 HydrophobicContact CD1-CB 4.26Å; I3-I76 HydrophobicContact CD1-CD1 3.94Å; I3-I76 HydrophobicContact CD1-CG1 4.01Å; I3-I76 HydrophobicContact CG1-CD1 4.15Å; I3-I76 HydrophobicContact CG2-CD1 4.33Å; I3-Y88 WeakPolarHBondContact CD1-O 3.08Å; I3-T90 HydrophobicContact CB-CG2 4.26Å; I3-T90 HydrophobicContact CG2-CG2 3.76Å
4E94.1Very high90.3Very high108 Ų10854.9 Ų54.951%0.50530%0.299SS..EExtended strand (participates in β ladder)trans-111.7133.3177.6-68.7172.4-165.500108.5N2 S16N2-E4 PolarHBondContact ND2-OE1 2.81Å; E4-S16 PolarHBondContact N-O 2.62Å; E4-S16 PolarHBondContact O-N 2.86Å; E4-S16 VanDerWaalsContact O-O 3.08Å
5V93.3Very high90.6Very high42 Ų4251.3 Ų51.326%0.25528%0.279SS..EExtended strand (participates in β ladder)trans-113.7118.8177.5-175.70000107.6I8 A13 I15 T90 F92V5-I8 HydrophobicContact CG1-CD1 3.84Å; V5-I8 HydrophobicContact CG1-CG1 3.85Å; V5-A13 HydrophobicContact CG1-CB 4.36Å; V5-I15 HydrophobicContact CB-CD1 4.27Å; V5-I15 HydrophobicContact CG1-CD1 3.74Å; V5-I15 HydrophobicContact CG2-CD1 3.89Å; V5-T90 HydrophobicContact CG2-CG2 3.97Å; V5-F92 HydrophobicContact CB-CB 4.39Å; V5-F92 HydrophobicContact CG1-CB 3.83Å; V5-F92 HydrophobicContact CG1-CD1 4.29Å; V5-F92 HydrophobicContact CG1-CD2 4.28Å; V5-F92 HydrophobicContact CG1-CG 3.89Å; V5-F92 HydrophobicContact CG2-CB 4.34Å; V5-F92 HydrophobicContact CG2-CD1 4.39Å
6G90.4Very high90.8Very high32 Ų3250.5 Ų50.533%0.3328%0.279SS..EExtended strand (participates in β ladder)trans-131.3168.5-176.900000112.1I8 I14G6-I8 VanDerWaalsContact C-N 3.3Å; G6-I8 PolarHBondContact O-N 2.99Å; G6-I14 PolarHBondContact N-O 3.39Å; G6-I14 WeakPolarHBondContact O-CA 2.93Å; G6-I14 PolarHBondContact O-N 3.03Å; G6-I14 VanDerWaalsContact O-O 3.05Å
7N91.8Very high90.9Very high125 Ų12548.1 Ų48.167%0.66827%0.265SS*.SBendtrans46.453.4177.6-162.64.3000112.6S9 I14N7-S9 PolarHBondContact O-N 3.11Å; N7-I14 HydrophobicContact CB-CB 4.3Å; N7-I14 HydrophobicContact CB-CD1 3.71Å; N7-I14 HydrophobicContact CB-CG1 3.91Å; N7-I14 WeakPolarHBondContact ND2-CD1 3.29Å
8I90.8Very high90.7Very high55 Ų5549.2 Ų49.228%0.28228%0.276SS..  trans-77.2122.2-179.6-55.7174.5000107.9V5 G6 A13 F92 H93 L95V5-I8 HydrophobicContact CG1-CD1 3.84Å; V5-I8 HydrophobicContact CG1-CG1 3.85Å; G6-I8 VanDerWaalsContact C-N 3.3Å; G6-I8 PolarHBondContact O-N 2.99Å; I8-A13 HydrophobicContact CG1-CB 4.37Å; I8-F92 HydrophobicContact CD1-CB 4.44Å; I8-H93 VanDerWaalsContact CG2-O 3.31Å; I8-H93 WeakPolarHBondContact CG2-O 3.37Å; I8-L95 HydrophobicContact CG2-CG 4.36Å; I8-L95 WeakPolarHBondContact O-CD1 3.42Å
9S88.9Confident90.3Very high38 Ų3848.3 Ų48.327%0.26627%0.274SS..  trans-112.8-177.1173.671.20000110.2N7 T11 G12 L95N7-S9 PolarHBondContact O-N 3.11Å; S9-T11 VanDerWaalsContact C-N 3.3Å; S9-T11 PolarHBondContact OG-N 2.77Å; S9-G12 WeakPolarHBondContact CA-O 3.48Å; S9-G12 PolarHBondContact N-O 3.3Å; S9-G12 WeakPolarHBondContact OG-CA 3.4Å; S9-G12 PolarHBondContact OG-N 3.12Å; S9-G12 PolarHBondContact OG-O 3.01Å; S9-L95 PolarHBondContact O-N 2.98Å; S9-L95 VanDerWaalsContact O-N 3.15Å
10Y86.1Confident89.7Confident101 Ų10151.3 Ų51.340%0.39630%0.297SS..SBendtrans-75-17.9177.767.8-86.5000113.2P68 L95 K97Y10-P68 WeakPolarHBondContact O-CA 3.17Å; Y10-L95 WeakPolarHBondContact CA-O 3.41Å; Y10-K97 HydrophobicContact CD2-CB 4.17Å; Y10-K97 HydrophobicContact CD2-CD 4.01Å; Y10-K97 HydrophobicContact CD2-CG 4.08Å; Y10-K97 HydrophobicContact CE2-CD 4.13Å; Y10-K97 HydrophobicContact CE2-CG 4.48Å; Y10-K97 HydrophobicContact CG-CB 4.28Å; Y10-K97 HydrophobicContact CG-CG 4.37Å
11T87.8Confident89.1Confident55 Ų5553.8 Ų53.834%0.33731%0.306SS..SBendtrans-128.52.6-179.844.30000114.3S9 E64 H65 L66S9-T11 VanDerWaalsContact C-N 3.3Å; S9-T11 PolarHBondContact OG-N 2.77Å; T11-E64 CarbonylContact O-C 3.48Å; T11-H65 PolarHBondContact O-N 2.88Å; T11-L66 WeakPolarHBondContact CA-O 3.47Å; T11-L66 PolarHBondContact O-N 2.85Å
12G90.2Very high88.7Confident8 Ų856.1 Ų56.18%0.08232%0.324CS..  trans-164.4161.8-17600000113.6S9 L63S9-G12 WeakPolarHBondContact CA-O 3.48Å; S9-G12 PolarHBondContact N-O 3.3Å; S9-G12 WeakPolarHBondContact OG-CA 3.4Å; S9-G12 PolarHBondContact OG-N 3.12Å; S9-G12 PolarHBondContact OG-O 3.01Å; G12-L63 CarbonylContact C-O 3.6Å; G12-L63 WeakPolarHBondContact CA-O 2.91Å
13A93.6Very high88.3Confident1 Ų152.1 Ų52.11%0.00830%0.303CS..EExtended strand (participates in β ladder)trans-148.5149.2177.500000109.7V5 I8 I15 L63 L66 F92V5-A13 HydrophobicContact CG1-CB 4.36Å; I8-A13 HydrophobicContact CG1-CB 4.37Å; A13-I15 HydrophobicContact CB-CD1 4.33Å; A13-L63 PolarHBondContact N-O 3.25Å; A13-L63 PolarHBondContact O-N 3.45Å; A13-L66 HydrophobicContact CB-CD1 4.31Å; A13-F92 HydrophobicContact CB-CD2 4.22Å; A13-F92 HydrophobicContact CB-CE2 3.74Å; A13-F92 HydrophobicContact CB-CZ 4.22Å
14I94.7Very high87.8Confident59 Ų5955.7 Ų55.730%0.30332%0.322SS..EExtended strand (participates in β ladder)trans-98.3123.4173.4-57.5-176.9000108.1G6 N7 V62G6-I14 PolarHBondContact N-O 3.39Å; G6-I14 WeakPolarHBondContact O-CA 2.93Å; G6-I14 PolarHBondContact O-N 3.03Å; G6-I14 VanDerWaalsContact O-O 3.05Å; N7-I14 HydrophobicContact CB-CB 4.3Å; N7-I14 HydrophobicContact CB-CD1 3.71Å; N7-I14 HydrophobicContact CB-CG1 3.91Å; N7-I14 WeakPolarHBondContact ND2-CD1 3.29Å; I14-V62 HydrophobicContact CG1-CG2 4.24Å
15I94.5Very high87.2Confident0 Ų052.9 Ų52.90%031%0.309CS..EExtended strand (participates in β ladder)trans-106.1128.2176.6-47.4-53.6000107.7I3 V5 A13 W17 S60 V61 L63 L74 I76 F92I3-I15 HydrophobicContact CG2-CG2 3.81Å; V5-I15 HydrophobicContact CB-CD1 4.27Å; V5-I15 HydrophobicContact CG1-CD1 3.74Å; V5-I15 HydrophobicContact CG2-CD1 3.89Å; A13-I15 HydrophobicContact CB-CD1 4.33Å; I15-W17 HydrophobicContact CG2-CE3 4.08Å; I15-W17 HydrophobicContact CG2-CZ3 4.38Å; I15-S60 CarbonylContact O-C 3.58Å; I15-S60 WeakPolarHBondContact O-CA 3.42Å; I15-S60 WeakPolarHBondContact O-CB 3.4Å; I15-V61 HydrophobicContact CB-CG1 4.13Å; I15-V61 HydrophobicContact CG1-CG1 4.41Å; I15-V61 PolarHBondContact N-O 3.48Å; I15-V61 PolarHBondContact O-N 2.93Å; I15-L63 HydrophobicContact CD1-CD1 4.04Å; I15-L63 HydrophobicContact CG1-CD1 3.67Å; I15-L63 HydrophobicContact CG1-CG 3.88Å; I15-L74 HydrophobicContact CB-CD2 4.25Å; I15-L74 HydrophobicContact CD1-CD2 3.63Å; I15-L74 HydrophobicContact CG1-CD2 3.69Å; I15-L74 HydrophobicContact CG2-CD2 3.56Å; I15-I76 HydrophobicContact CG2-CD1 4.25Å; I15-F92 HydrophobicContact CD1-CE1 4.21Å
16S93.8Very high86.9Confident39 Ų3956.8 Ų56.827%0.27333%0.328SS..EExtended strand (participates in β ladder)trans-124144170.247.90000110.2E4 S59E4-S16 PolarHBondContact N-O 2.62Å; E4-S16 PolarHBondContact O-N 2.86Å; E4-S16 VanDerWaalsContact O-O 3.08Å; S16-S59 CarbonylContact C-O 3.56Å; S16-S59 WeakPolarHBondContact CA-O 3.19Å
17W92.6Very high86.7Confident10 Ų1059.1 Ų59.14%0.03833%0.328CS..EExtended strand (participates in β ladder)trans-136.4149.6177.859.191.9000111.9M1 N2 I3 I15 Y28 I30 V54 I58 S59 V61 I76M1-W17 HydrophobicContact CE-CB 3.84Å; M1-W17 HydrophobicContact CE-CD2 4.35Å; M1-W17 HydrophobicContact CE-CG 3.54Å; M1-W17 HydrophobicContact CG-CB 4.27Å; M1-W17 HydrophobicContact SD-CG 4.49Å; N2-W17 CarbonylContact O-C 3.26Å; N2-W17 WeakPolarHBondContact O-CA 3.47Å; N2-W17 WeakPolarHBondContact O-CB 2.99Å; I3-W17 HydrophobicContact CG1-CB 4.3Å; I15-W17 HydrophobicContact CG2-CE3 4.08Å; I15-W17 HydrophobicContact CG2-CZ3 4.38Å; W17-Y28 HydrophobicContact CZ2-CD2 4.04Å; W17-Y28 HydrophobicContact CZ2-CG 4.31Å; W17-Y28 AromaticContact NE1-CD1 3.88Å; W17-Y28 AromaticContact NE1-CD2 3.63Å; W17-Y28 AromaticContact NE1-CE1 3.78Å; W17-Y28 AromaticContact NE1-CE2 3.56Å; W17-Y28 AromaticContact NE1-CG 3.82Å; W17-Y28 AromaticContact NE1-CZ 3.69Å; W17-I30 HydrophobicContact CH2-CD1 3.43Å; W17-I30 VanDerWaalsContact CH2-CD1 3.43Å; W17-I30 HydrophobicContact CZ2-CD1 4.12Å; W17-I30 HydrophobicContact CZ3-CD1 3.81Å; W17-V54 HydrophobicContact CH2-CG1 4.35Å; W17-V54 HydrophobicContact CZ2-CG1 4.44Å; W17-I58 WeakPolarHBondContact CZ2-O 3.41Å; W17-S59 PolarHBondContact N-O 2.81Å; W17-S59 WeakPolarHBondContact O-CB 3.49Å; W17-V61 HydrophobicContact CH2-CB 4.26Å; W17-V61 HydrophobicContact CH2-CG1 4.34Å; W17-V61 HydrophobicContact CZ3-CB 4.24Å; W17-V61 HydrophobicContact CZ3-CG1 3.97Å; W17-I76 HydrophobicContact CB-CD1 4.1Å; W17-I76 HydrophobicContact CD2-CD1 3.64Å; W17-I76 HydrophobicContact CE3-CD1 3.48Å; W17-I76 VanDerWaalsContact CE3-CD1 3.48Å; W17-I76 HydrophobicContact CG-CD1 3.94Å; W17-I76 HydrophobicContact CZ3-CD1 4.16Å
18S88.8Confident86.6Confident67 Ų6753.8 Ų53.847%0.46930%0.298SS..EExtended strand (participates in β ladder)trans-123.7128.8172.759.90000110.2M1 N2M1-S18 CarbonylContact C-O 3.46Å; M1-S18 WeakPolarHBondContact CA-O 3.49Å; M1-S18 WeakPolarHBondContact CG-O 3.4Å; N2-S18 PolarHBondContact N-O 2.88Å; N2-S18 PolarHBondContact O-N 3.39Å
19S82.6Confident86.6Confident33 Ų3352.3 Ų52.323%0.23129%0.29CS..  trans-111.8128.9175-167.90000109.8E21S19-E21 WeakPolarHBondContact CB-O 3.43Å; S19-E21 PolarHBondContact O-N 3.25Å; S19-E21 PolarHBondContact OG-O 3.01Å
20S77.1Confident86.7Confident107 Ų10750.6 Ų50.675%0.74828%0.278SS*.SBendtrans-67.2-23.9175.156.20000112.8
21E77.9Confident86.8Confident104 Ų10447.7 Ų47.749%0.48627%0.269SS..SBendtrans-127.4140.3179.2-70.4160175.900109.2S19 K80S19-E21 WeakPolarHBondContact CB-O 3.43Å; S19-E21 PolarHBondContact O-N 3.25Å; S19-E21 PolarHBondContact OG-O 3.01Å; E21-K80 IonicContact OE2-NZ 2.73Å; E21-K80 PolarHBondContact OE2-NZ 3.09Å
22P73.4Confident86.9Confident85 Ų8546.4 Ų46.455%0.55226%0.258SS*.  trans-64.9142.117428-34.2000111.6
23C80.2Confident86.7Confident3 Ų352.7 Ų52.72%0.0228%0.279CS..  trans-65.2145.7170.2-64.70000110.8E25 Y28 C78C23-E25 WeakPolarHBondContact CB-O 3.38Å; C23-Y28 HydrophobicContact CB-CE1 4.42Å; C23-Y28 WeakPolarHBondContact SG-CE1 3.22Å; C23-Y28 VanDerWaalsContact SG-CZ 3.55Å; C23-C78 WeakPolarHBondContact CA-SG 2.96Å; C23-C78 HydrophobicContact CB-CB 4.25Å; C23-C78 WeakPolarHBondContact CB-SG 3.44Å; C23-C78 WeakPolarHBondContact SG-CB 3.3Å; C23-C78 CovalentContact SG-SG 2.01Å; C23-C78 PolarHBondContact SG-SG 3.07Å
24L81.6Confident86.4Confident97 Ų9753 Ų5351%0.50828%0.281SS..SBendtrans-70.2-41175.8-172.9122.8000110.7K79 A81L24-K79 WeakPolarHBondContact CB-O 3.4Å; L24-K79 HydrophobicContact CD2-CD 4.25Å; L24-K79 PolarHBondContact N-O 2.79Å; L24-A81 HydrophobicContact CD1-CB 3.77Å
25E81.8Confident85.5Confident49 Ų4951.6 Ų51.623%0.22927%0.274CS..SBendtrans-77.4150.8170.4-95.873.4179.600111.3C23 Y27 K79C23-E25 WeakPolarHBondContact CB-O 3.38Å; E25-Y27 HydrophobicContact CB-CD1 4.18Å; E25-Y27 HydrophobicContact CB-CE1 4.06Å; E25-Y27 HydrophobicContact CG-CD1 4.39Å; E25-Y27 HydrophobicContact CG-CE1 3.78Å; E25-Y27 PolarHBondContact O-N 3.33Å; E25-Y27 VanDerWaalsContact O-N 3.12Å; E25-K79 WeakPolarHBondContact OE1-CD 3.04Å; E25-K79 IonicContact OE1-NZ 2.99Å; E25-K79 PolarHBondContact OE1-NZ 2.99Å; E25-K79 VanDerWaalsContact OE2-CB 3.29Å; E25-K79 WeakPolarHBondContact OE2-CB 3.35Å; E25-K79 WeakPolarHBondContact OE2-CD 3.38Å; E25-K79 IonicContact OE2-NZ 3.88Å
26D86.4Confident84.2Confident125 Ų12555.6 Ų55.667%0.66829%0.289SS*.SBendtrans-75.58.4178.7-61.1-40.7000113.5P55 R56D26-P55 WeakPolarHBondContact O-CA 3.46Å; D26-R56 WeakPolarHBondContact O-CB 3.36Å; D26-R56 PolarHBondContact O-N 2.01Å
27Y87.3Confident82.7Confident80 Ų8061 Ų6131%0.31432%0.315SS..EExtended strand (participates in β ladder)trans-143.5153.1-179.565.4-90.7000113E25 K53 V54E25-Y27 HydrophobicContact CB-CD1 4.18Å; E25-Y27 HydrophobicContact CB-CE1 4.06Å; E25-Y27 HydrophobicContact CG-CD1 4.39Å; E25-Y27 HydrophobicContact CG-CE1 3.78Å; E25-Y27 PolarHBondContact O-N 3.33Å; E25-Y27 VanDerWaalsContact O-N 3.12Å; Y27-K53 HydrophobicContact CD2-CB 4.15Å; Y27-K53 HydrophobicContact CD2-CD 4Å; Y27-K53 HydrophobicContact CD2-CG 3.91Å; Y27-K53 HydrophobicContact CE2-CD 3.91Å; Y27-K53 HydrophobicContact CE2-CG 4.14Å; Y27-V54 CarbonylContact C-O 3.46Å; Y27-V54 WeakPolarHBondContact CA-O 3.46Å; Y27-V54 WeakPolarHBondContact CB-O 3.19Å
28Y89.6Confident80.9Confident13 Ų1363.8 Ų63.85%0.05134%0.336CS..EExtended strand (participates in β ladder)trans-97.4140.4167.2-67.5-79.8000109.7M1 W17 C23 K53 V54 R56 I76 C78M1-Y28 HydrophobicContact CE-CD1 4.05Å; M1-Y28 HydrophobicContact CE-CE1 4.04Å; M1-Y28 HydrophobicContact SD-CD1 4.48Å; M1-Y28 HydrophobicContact SD-CE1 3.94Å; W17-Y28 HydrophobicContact CZ2-CD2 4.04Å; W17-Y28 HydrophobicContact CZ2-CG 4.31Å; W17-Y28 AromaticContact NE1-CD1 3.88Å; W17-Y28 AromaticContact NE1-CD2 3.63Å; W17-Y28 AromaticContact NE1-CE1 3.78Å; W17-Y28 AromaticContact NE1-CE2 3.56Å; W17-Y28 AromaticContact NE1-CG 3.82Å; W17-Y28 AromaticContact NE1-CZ 3.69Å; C23-Y28 HydrophobicContact CB-CE1 4.42Å; C23-Y28 WeakPolarHBondContact SG-CE1 3.22Å; C23-Y28 VanDerWaalsContact SG-CZ 3.55Å; Y28-K53 WeakPolarHBondContact O-CA 3.3Å; Y28-V54 PolarHBondContact N-O 2.84Å; Y28-V54 PolarHBondContact O-N 3.08Å; Y28-R56 HydrophobicContact CE2-CB 4.21Å; Y28-R56 HydrophobicContact CE2-CG 4.07Å; Y28-I76 HydrophobicContact CD1-CG2 4.1Å; Y28-I76 HydrophobicContact CG-CG2 4.46Å; Y28-C78 HydrophobicContact CD1-CB 4.18Å; Y28-C78 HydrophobicContact CE1-CB 4.23Å
29H89.6Confident79.1Confident25 Ų2568.4 Ų68.412%0.11635%0.354CS..EExtended strand (participates in β ladder)trans-99109.9172.8-162.5-102.7000109.5M31 E51 I76 S77H29-M31 VanDerWaalsContact CE1-CG 3.46Å; H29-M31 WeakPolarHBondContact CE1-CG 2.98Å; H29-M31 PolarHBondContact CE1-SD 3.42Å; H29-M31 WeakPolarHBondContact ND1-CG 3.38Å; H29-M31 PolarHBondContact ND1-SD 2.73Å; H29-E51 IonicContact CE1-OE2 3.42Å; H29-E51 PolarHBondContact CE1-OE2 3.36Å; H29-E51 IonicContact NE2-OE2 3.67Å; H29-I76 CarbonylContact O-C 3.44Å; H29-I76 WeakPolarHBondContact O-CA 3.46Å; H29-S77 PolarHBondContact N-O 2.66Å; H29-S77 PolarHBondContact O-N 2.96Å
30I91.1Very high77.6Confident2 Ų275.6 Ų75.61%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-102.5127.2-179.2-54-177000108W17 E51 E52 V54 V61 L74 I76W17-I30 HydrophobicContact CH2-CD1 3.43Å; W17-I30 VanDerWaalsContact CH2-CD1 3.43Å; W17-I30 HydrophobicContact CZ2-CD1 4.12Å; W17-I30 HydrophobicContact CZ3-CD1 3.81Å; I30-E51 CarbonylContact O-C 3.53Å; I30-E51 WeakPolarHBondContact O-CA 3.31Å; I30-E52 PolarHBondContact N-O 3.01Å; I30-E52 PolarHBondContact O-N 2.73Å; I30-V54 HydrophobicContact CD1-CB 4.1Å; I30-V54 HydrophobicContact CD1-CG2 3.52Å; I30-V54 HydrophobicContact CG1-CG2 4.23Å; I30-V61 HydrophobicContact CD1-CB 4.39Å; I30-V61 HydrophobicContact CD1-CG1 3.85Å; I30-L74 HydrophobicContact CG2-CD1 3.69Å; I30-I76 HydrophobicContact CG1-CG1 4.3Å; I30-I76 HydrophobicContact CG1-CG2 4.22Å; I30-I76 HydrophobicContact CG2-CG1 4.45Å
31M89Confident76.4Confident40 Ų4071 Ų7120%0.19735%0.35CS..EExtended strand (participates in β ladder)trans-130.9129.1-178.8-55.717459.600108.7H29 H49 H50 E51 L74 C75H29-M31 VanDerWaalsContact CE1-CG 3.46Å; H29-M31 WeakPolarHBondContact CE1-CG 2.98Å; H29-M31 PolarHBondContact CE1-SD 3.42Å; H29-M31 WeakPolarHBondContact ND1-CG 3.38Å; H29-M31 PolarHBondContact ND1-SD 2.73Å; M31-H49 WeakPolarHBondContact CE-CE1 2.97Å; M31-H49 VanDerWaalsContact CE-NE2 3.3Å; M31-H49 WeakPolarHBondContact CE-NE2 3.17Å; M31-H50 VanDerWaalsContact CA-O 3.31Å; M31-H50 WeakPolarHBondContact CA-O 3.45Å; M31-E51 HydrophobicContact CB-CG 4.5Å; M31-E51 HydrophobicContact CE-CG 4.11Å; M31-E51 WeakPolarHBondContact CE-OE1 3.1Å; M31-E51 HydrophobicContact CG-CB 4.44Å; M31-E51 HydrophobicContact CG-CG 3.97Å; M31-L74 CarbonylContact O-C 3.48Å; M31-L74 WeakPolarHBondContact O-CA 3.49Å; M31-C75 PolarHBondContact N-O 2.05Å; M31-C75 PolarHBondContact O-N 2.82Å
32Y89.4Confident74.8Confident27 Ų2768.5 Ų68.511%0.10635%0.351CS..EExtended strand (participates in β ladder)trans-136.8146.2172.865.2-89.9000112.4H50 L63 L66 Y72 F73Y32-H50 HydrophobicContact CD1-CB 4.03Å; Y32-H50 HydrophobicContact CD2-CB 4.31Å; Y32-H50 HydrophobicContact CE1-CB 3.47Å; Y32-H50 VanDerWaalsContact CE1-CB 3.47Å; Y32-H50 AromaticContact CE1-CD2 3.38Å; Y32-H50 WeakPolarHBondContact CE1-CD2 3.15Å; Y32-H50 AromaticContact CE1-CG 3.62Å; Y32-H50 HydrophobicContact CE2-CB 3.78Å; Y32-H50 HydrophobicContact CG-CB 4.42Å; Y32-H50 AromaticContact CZ-CD2 3.81Å; Y32-H50 AromaticContact CZ-CG 3.61Å; Y32-H50 PolarHBondContact N-O 2.92Å; Y32-H50 PolarHBondContact O-N 2.87Å; Y32-H50 VanDerWaalsContact O-N 3.08Å; Y32-L63 HydrophobicContact CD1-CD1 4.14Å; Y32-L63 HydrophobicContact CD1-CD2 3.95Å; Y32-L63 HydrophobicContact CE1-CD1 4.42Å; Y32-L63 HydrophobicContact CE1-CD2 3.64Å; Y32-L63 HydrophobicContact CG-CD1 4.35Å; Y32-L66 HydrophobicContact CD2-CD2 4.12Å; Y32-L66 HydrophobicContact CE2-CD2 3.68Å; Y32-Y72 HydrophobicContact CD2-CD1 4.14Å; Y32-Y72 HydrophobicContact CD2-CE1 4.34Å; Y32-F73 CarbonylContact C-O 3.54Å; Y32-F73 WeakPolarHBondContact CA-O 3.3Å
33R86.3Confident73.6Confident140 Ų14075.3 Ų75.353%0.52837%0.368SS..EExtended strand (participates in β ladder)trans-143.9144.3178.769.8179.8-159.7174.85.6111.5Y72 F73R33-Y72 WeakPolarHBondContact O-CA 3.36Å; R33-F73 HydrophobicContact CG-CB 4.01Å; R33-F73 PolarHBondContact N-O 2.83Å; R33-F73 PolarHBondContact O-N 2.91Å
34P86Confident72.3Confident9 Ų981.5 Ų81.56%0.05840%0.4CS..EExtended strand (participates in β ladder)trans-69.7147.1171.426-30.8000111.8W36 T70 Y72P34-W36 HydrophobicContact CB-CH2 4.42Å; P34-W36 HydrophobicContact CB-CZ2 3.89Å; P34-W36 HydrophobicContact CG-CH2 4.29Å; P34-W36 HydrophobicContact CG-CZ2 3.39Å; P34-T70 HydrophobicContact CB-CG2 3.78Å; P34-Y72 HydrophobicContact CB-CD1 4.15Å; P34-Y72 HydrophobicContact CB-CE1 3.75Å; P34-Y72 HydrophobicContact CG-CE1 4.19Å
35N76.2Confident70.9Confident29 Ų2986.1 Ų86.116%0.15541%0.41CS..  trans-92.8108.2171.5-174.6-3.8000109.8N37 L71 F73N35-N37 VanDerWaalsContact C-N 3.28Å; N35-N37 PolarHBondContact O-N 3.38Å; N35-N37 WeakPolarHBondContact OD1-CB 3.42Å; N35-N37 VanDerWaalsContact OD1-CG 3.29Å; N35-N37 PolarHBondContact OD1-N 3.5Å; N35-N37 VanDerWaalsContact OD1-N 3.16Å; N35-L71 HydrophobicContact CB-CB 4.09Å; N35-L71 HydrophobicContact CB-CD2 4.25Å; N35-L71 HydrophobicContact CB-CG 4.14Å; N35-L71 WeakPolarHBondContact CB-O 3.39Å; N35-L71 PolarHBondContact N-O 2.65Å; N35-F73 HydrophobicContact CB-CD2 3.77Å; N35-F73 HydrophobicContact CB-CE2 3.42Å; N35-F73 VanDerWaalsContact CB-CE2 3.42Å; N35-F73 HydrophobicContact CB-CZ 4.45Å; N35-F73 VanDerWaalsContact ND2-CE2 3.35Å; N35-F73 WeakPolarHBondContact ND2-CE2 3.14Å
36W66.7Low69.6Low83 Ų8391.2 Ų91.231%0.31443%0.429SS..  trans-8615.8-177-60.5112.3000114.9P34 S38 S41 L44 Y46P34-W36 HydrophobicContact CB-CH2 4.42Å; P34-W36 HydrophobicContact CB-CZ2 3.89Å; P34-W36 HydrophobicContact CG-CH2 4.29Å; P34-W36 HydrophobicContact CG-CZ2 3.39Å; W36-S38 PolarHBondContact O-N 3.43Å; W36-S41 VanDerWaalsContact C-OG 3.31Å; W36-S41 WeakPolarHBondContact CA-OG 2.94Å; W36-S41 VanDerWaalsContact CE3-CB 3.47Å; W36-S41 WeakPolarHBondContact O-CB 3.41Å; W36-S41 PolarHBondContact O-OG 3.37Å; W36-L44 WeakPolarHBondContact CH2-O 3.1Å; W36-Y46 VanDerWaalsContact CZ2-O 3.23Å; W36-Y46 WeakPolarHBondContact CZ2-O 3.4Å
37N64.1Low68.1Low153 Ų15390 Ų9082%0.81843%0.43SS*.  trans-73.40.7178.7-72.4-7000114.1N35N35-N37 VanDerWaalsContact C-N 3.28Å; N35-N37 PolarHBondContact O-N 3.38Å; N35-N37 WeakPolarHBondContact OD1-CB 3.42Å; N35-N37 VanDerWaalsContact OD1-CG 3.29Å; N35-N37 PolarHBondContact OD1-N 3.5Å; N35-N37 VanDerWaalsContact OD1-N 3.16Å
38S53.7Low66.8Low69 Ų6992.5 Ų92.548%0.48344%0.443SS..SBendtrans-88.9142.3175.7-175.30000112W36 F40 S41W36-S38 PolarHBondContact O-N 3.43Å; S38-F40 PolarHBondContact O-N 2.76Å; S38-S41 WeakPolarHBondContact O-CB 3.46Å; S38-S41 PolarHBondContact O-N 3.41Å; S38-S41 PolarHBondContact O-OG 3.06Å
39I51.1Low65.9Low164 Ų16496.1 Ų96.184%0.84146%0.46SS*.THydrogen-bonded Turntrans-58.3-20.1-175.4-13.4176.4000113.5
40F50.5Low65.6Low183 Ų18398.6 Ų98.680%0.80347%0.471SS*.THydrogen-bonded Turntrans-92.72.9177.9-64.9-77000114.5S38 G42S38-F40 PolarHBondContact O-N 2.76Å; F40-G42 PolarHBondContact O-N 3.23Å
41S51.5Low65.3Low12 Ų12103.2 Ų103.28%0.08449%0.493CS..THydrogen-bonded Turntrans-67.26.7175.9-57.60000114.1W36 S38 R45W36-S41 VanDerWaalsContact C-OG 3.31Å; W36-S41 WeakPolarHBondContact CA-OG 2.94Å; W36-S41 VanDerWaalsContact CE3-CB 3.47Å; W36-S41 WeakPolarHBondContact O-CB 3.41Å; W36-S41 PolarHBondContact O-OG 3.37Å; S38-S41 WeakPolarHBondContact O-CB 3.46Å; S38-S41 PolarHBondContact O-N 3.41Å; S38-S41 PolarHBondContact O-OG 3.06Å; S41-R45 WeakPolarHBondContact O-CG 3.37Å; S41-R45 PolarHBondContact O-NE 3.03Å
42G45.5Very low65.2Low51 Ų51105.1 Ų105.153%0.52650%0.502SS..THydrogen-bonded Turntrans-81.3-28.2-175.800000114.7F40F40-G42 PolarHBondContact O-N 3.23Å
43Y48.4Very low65.2Low228 Ų228110.1 Ų110.189%0.89452%0.524SS*.SBendtrans-95.4-13.9-169.6-91.4-86.5000115.4
44L51.8Low65.3Low133 Ų133103.8 Ų103.870%0.69650%0.501SS*.  trans-142.151.4-178.8-69.2173.2000112.4W36 Y46W36-L44 WeakPolarHBondContact CH2-O 3.1Å; L44-Y46 PolarHBondContact O-N 2.84Å
45R53.3Low65.6Low193 Ų193106.3 Ų106.373%0.72852%0.517SS*.  trans-70.854.3177.7-66.5-171.3175.8175-0.8113.9S41S41-R45 WeakPolarHBondContact O-CG 3.37Å; S41-R45 PolarHBondContact O-NE 3.03Å
46Y53.5Low66.1Low157 Ų157110.1 Ų110.162%0.61653%0.529SS*.  trans-85.9110.9162.7-95-89.8000108.2W36 L44 F48W36-Y46 VanDerWaalsContact CZ2-O 3.23Å; W36-Y46 WeakPolarHBondContact CZ2-O 3.4Å; L44-Y46 PolarHBondContact O-N 2.84Å; Y46-F48 VanDerWaalsContact CB-CD2 3.41Å; Y46-F48 HydrophobicContact CD1-CD1 4.31Å; Y46-F48 AromaticContact CD1-CE1 3.56Å; Y46-F48 HydrophobicContact CD1-CE1 3.56Å; Y46-F48 HydrophobicContact CD1-CE2 4.14Å; Y46-F48 AromaticContact CD1-CZ 3.46Å; Y46-F48 HydrophobicContact CD1-CZ 3.46Å; Y46-F48 VanDerWaalsContact CD1-CZ 3.46Å; Y46-F48 HydrophobicContact CD2-CE2 4.33Å; Y46-F48 HydrophobicContact CD2-CZ 4.1Å; Y46-F48 HydrophobicContact CE1-CE1 4.32Å; Y46-F48 HydrophobicContact CE1-CZ 4.26Å; Y46-F48 HydrophobicContact CG-CD2 4.35Å; Y46-F48 AromaticContact CG-CE1 3.94Å; Y46-F48 HydrophobicContact CG-CE1 3.94Å; Y46-F48 AromaticContact CG-CE2 3.63Å; Y46-F48 HydrophobicContact CG-CE2 3.63Å; Y46-F48 AromaticContact CG-CZ 3.37Å; Y46-F48 HydrophobicContact CG-CZ 3.37Å; Y46-F48 PolarHBondContact O-N 2.88Å
47S54.5Low67Low100 Ų100112.5 Ų112.570%0.69955%0.553SS**  trans-67.872.4166.1580000109.1H49S47-H49 PolarHBondContact O-N 2.89Å
48F60.1Low68.2Low132 Ų132108.7 Ų108.758%0.57953%0.532SS*.  trans-72.277169.7-65.4-62.1000107.3Y46 H50Y46-F48 VanDerWaalsContact CB-CD2 3.41Å; Y46-F48 HydrophobicContact CD1-CD1 4.31Å; Y46-F48 AromaticContact CD1-CE1 3.56Å; Y46-F48 HydrophobicContact CD1-CE1 3.56Å; Y46-F48 HydrophobicContact CD1-CE2 4.14Å; Y46-F48 AromaticContact CD1-CZ 3.46Å; Y46-F48 HydrophobicContact CD1-CZ 3.46Å; Y46-F48 VanDerWaalsContact CD1-CZ 3.46Å; Y46-F48 HydrophobicContact CD2-CE2 4.33Å; Y46-F48 HydrophobicContact CD2-CZ 4.1Å; Y46-F48 HydrophobicContact CE1-CE1 4.32Å; Y46-F48 HydrophobicContact CE1-CZ 4.26Å; Y46-F48 HydrophobicContact CG-CD2 4.35Å; Y46-F48 AromaticContact CG-CE1 3.94Å; Y46-F48 HydrophobicContact CG-CE1 3.94Å; Y46-F48 AromaticContact CG-CE2 3.63Å; Y46-F48 HydrophobicContact CG-CE2 3.63Å; Y46-F48 AromaticContact CG-CZ 3.37Å; Y46-F48 HydrophobicContact CG-CZ 3.37Å; Y46-F48 PolarHBondContact O-N 2.88Å; F48-H50 PolarHBondContact O-N 2.84Å
49H71.7Confident69.9Low88 Ų88108.5 Ų108.541%0.40753%0.53SS..  trans-78.4102.3164.2-175.671.4000105.8M31 S47 E51M31-H49 WeakPolarHBondContact CE-CE1 2.97Å; M31-H49 VanDerWaalsContact CE-NE2 3.3Å; M31-H49 WeakPolarHBondContact CE-NE2 3.17Å; S47-H49 PolarHBondContact O-N 2.89Å; H49-E51 IonicContact CD2-OE1 3.38Å; H49-E51 PolarHBondContact CD2-OE1 2.87Å; H49-E51 IonicContact CE1-OE1 3.77Å; H49-E51 WeakPolarHBondContact NE2-CG 3.22Å; H49-E51 IonicContact NE2-OE1 2.65Å; H49-E51 PolarHBondContact NE2-OE1 2.8Å
50H82.3Confident71.8Confident77 Ų77103.6 Ų103.636%0.35651%0.511SS..EExtended strand (participates in β ladder)trans-99.1130.8179.9-169.287.8000108.7M31 Y32 F48M31-H50 VanDerWaalsContact CA-O 3.31Å; M31-H50 WeakPolarHBondContact CA-O 3.45Å; Y32-H50 HydrophobicContact CD1-CB 4.03Å; Y32-H50 HydrophobicContact CD2-CB 4.31Å; Y32-H50 HydrophobicContact CE1-CB 3.47Å; Y32-H50 VanDerWaalsContact CE1-CB 3.47Å; Y32-H50 AromaticContact CE1-CD2 3.38Å; Y32-H50 WeakPolarHBondContact CE1-CD2 3.15Å; Y32-H50 AromaticContact CE1-CG 3.62Å; Y32-H50 HydrophobicContact CE2-CB 3.78Å; Y32-H50 HydrophobicContact CG-CB 4.42Å; Y32-H50 AromaticContact CZ-CD2 3.81Å; Y32-H50 AromaticContact CZ-CG 3.61Å; Y32-H50 PolarHBondContact N-O 2.92Å; Y32-H50 PolarHBondContact O-N 2.87Å; Y32-H50 VanDerWaalsContact O-N 3.08Å; F48-H50 PolarHBondContact O-N 2.84Å
51E84.9Confident73.9Confident99 Ų9995.8 Ų95.846%0.46348%0.478SS..EExtended strand (participates in β ladder)trans-125.4124176.4-57.4-169.6168.300108.7H29 I30 M31 H49H29-E51 IonicContact CE1-OE2 3.42Å; H29-E51 PolarHBondContact CE1-OE2 3.36Å; H29-E51 IonicContact NE2-OE2 3.67Å; I30-E51 CarbonylContact O-C 3.53Å; I30-E51 WeakPolarHBondContact O-CA 3.31Å; M31-E51 HydrophobicContact CB-CG 4.5Å; M31-E51 HydrophobicContact CE-CG 4.11Å; M31-E51 WeakPolarHBondContact CE-OE1 3.1Å; M31-E51 HydrophobicContact CG-CB 4.44Å; M31-E51 HydrophobicContact CG-CG 3.97Å; H49-E51 IonicContact CD2-OE1 3.38Å; H49-E51 PolarHBondContact CD2-OE1 2.87Å; H49-E51 IonicContact CE1-OE1 3.77Å; H49-E51 WeakPolarHBondContact NE2-CG 3.22Å; H49-E51 IonicContact NE2-OE1 2.65Å; H49-E51 PolarHBondContact NE2-OE1 2.8Å
52E87.5Confident75.8Confident81 Ų8199.3 Ų99.338%0.37950%0.499SS..EExtended strand (participates in β ladder)trans-130.7143179.9-169.6-179.917600110.7I30 V54I30-E52 PolarHBondContact N-O 3.01Å; I30-E52 PolarHBondContact O-N 2.73Å; E52-V54 HydrophobicContact CG-CG2 4.25Å
53K89.4Confident78Confident132 Ų13297 Ų9757%0.57448%0.475SS*.EExtended strand (participates in β ladder)trans-101.7114.5172-68.2-179.7-175.3178.90109.3Y27 Y28Y27-K53 HydrophobicContact CD2-CB 4.15Å; Y27-K53 HydrophobicContact CD2-CD 4Å; Y27-K53 HydrophobicContact CD2-CG 3.91Å; Y27-K53 HydrophobicContact CE2-CD 3.91Å; Y27-K53 HydrophobicContact CE2-CG 4.14Å; Y28-K53 WeakPolarHBondContact O-CA 3.3Å
54V89.4Confident79.9Confident7 Ų791.7 Ų91.74%0.04246%0.458CS..EExtended strand (participates in β ladder)trans-106.3133.7179.7179.90000109W17 Y27 Y28 I30 E52 I58W17-V54 HydrophobicContact CH2-CG1 4.35Å; W17-V54 HydrophobicContact CZ2-CG1 4.44Å; Y27-V54 CarbonylContact C-O 3.46Å; Y27-V54 WeakPolarHBondContact CA-O 3.46Å; Y27-V54 WeakPolarHBondContact CB-O 3.19Å; Y28-V54 PolarHBondContact N-O 2.84Å; Y28-V54 PolarHBondContact O-N 3.08Å; I30-V54 HydrophobicContact CD1-CB 4.1Å; I30-V54 HydrophobicContact CD1-CG2 3.52Å; I30-V54 HydrophobicContact CG1-CG2 4.23Å; E52-V54 HydrophobicContact CG-CG2 4.25Å; V54-I58 HydrophobicContact CG1-CB 3.91Å; V54-I58 HydrophobicContact CG1-CG2 4Å
55P90.4Very high81.6Confident62 Ų6293.5 Ų93.540%0.40346%0.462SS..EExtended strand (participates in β ladder)trans-62.8148.9-179.926-34.8000111.8D26 T57 I58D26-P55 WeakPolarHBondContact O-CA 3.46Å; P55-T57 PolarHBondContact O-N 2.79Å; P55-T57 VanDerWaalsContact O-N 3.11Å; P55-I58 HydrophobicContact CG-CD1 3.81Å; P55-I58 HydrophobicContact CG-CG1 4.18Å; P55-I58 PolarHBondContact O-N 2.82Å
56R87Confident83.2Confident109 Ų10984.6 Ų84.641%0.41143%0.429SS..THydrogen-bonded Turntrans-62.2-21.7-175.7177.8178.6157.8-135.5-19.8114D26 Y28 I58D26-R56 WeakPolarHBondContact O-CB 3.36Å; D26-R56 PolarHBondContact O-N 2.01Å; Y28-R56 HydrophobicContact CE2-CB 4.21Å; Y28-R56 HydrophobicContact CE2-CG 4.07Å; R56-I58 PolarHBondContact O-N 2.86Å
57T85.8Confident84.5Confident132 Ų13278.5 Ų78.581%0.8141%0.412SS*.THydrogen-bonded Turntrans-66.7-18176.250.90000113P55P55-T57 PolarHBondContact O-N 2.79Å; P55-T57 VanDerWaalsContact O-N 3.11Å
58I90Very high86Confident73 Ų7376.4 Ų76.437%0.37440%0.395SS..  trans-108134.4-178.8-59.1176.6000108.7W17 V54 P55 R56 S60W17-I58 WeakPolarHBondContact CZ2-O 3.41Å; V54-I58 HydrophobicContact CG1-CB 3.91Å; V54-I58 HydrophobicContact CG1-CG2 4Å; P55-I58 HydrophobicContact CG-CD1 3.81Å; P55-I58 HydrophobicContact CG-CG1 4.18Å; P55-I58 PolarHBondContact O-N 2.82Å; R56-I58 PolarHBondContact O-N 2.86Å; I58-S60 WeakPolarHBondContact CG2-O 3.23Å
59S89.1Confident87Confident65 Ų6572.9 Ų72.946%0.45539%0.387SS..  trans-122.713.917968.10000112.7S16 W17S16-S59 CarbonylContact C-O 3.56Å; S16-S59 WeakPolarHBondContact CA-O 3.19Å; W17-S59 PolarHBondContact N-O 2.81Å; W17-S59 WeakPolarHBondContact O-CB 3.49Å
60S92.1Very high87.5Confident61 Ų6169.7 Ų69.743%0.42737%0.374SS..EExtended strand (participates in β ladder)trans-146.2144.2174.658.90000111.8I15 I58I15-S60 CarbonylContact O-C 3.58Å; I15-S60 WeakPolarHBondContact O-CA 3.42Å; I15-S60 WeakPolarHBondContact O-CB 3.4Å; I58-S60 WeakPolarHBondContact CG2-O 3.23Å
61V92.8Very high87.7Confident20 Ų2068.7 Ų68.712%0.12137%0.371CS..EExtended strand (participates in β ladder)trans-138.5147.3176.974.40000109.9I15 W17 I30 L63I15-V61 HydrophobicContact CB-CG1 4.13Å; I15-V61 HydrophobicContact CG1-CG1 4.41Å; I15-V61 PolarHBondContact N-O 3.48Å; I15-V61 PolarHBondContact O-N 2.93Å; W17-V61 HydrophobicContact CH2-CB 4.26Å; W17-V61 HydrophobicContact CH2-CG1 4.34Å; W17-V61 HydrophobicContact CZ3-CB 4.24Å; W17-V61 HydrophobicContact CZ3-CG1 3.97Å; I30-V61 HydrophobicContact CD1-CB 4.39Å; I30-V61 HydrophobicContact CD1-CG1 3.85Å; V61-L63 HydrophobicContact CG1-CD2 4Å
62V92.6Very high87.8Confident85 Ų8564.6 Ų64.652%0.51535%0.351SS..EExtended strand (participates in β ladder)trans-96.9119171.7-174.50000107.5I14 E64I14-V62 HydrophobicContact CG1-CG2 4.24Å; V62-E64 HydrophobicContact CG1-CG 4.08Å
63L91Very high87.9Confident3 Ų363.5 Ų63.52%0.01635%0.345CS..EExtended strand (participates in β ladder)trans-88126.7170.9-58.3-176.3000108.4G12 A13 I15 Y32 V61 L66 L74 F92G12-L63 CarbonylContact C-O 3.6Å; G12-L63 WeakPolarHBondContact CA-O 2.91Å; A13-L63 PolarHBondContact N-O 3.25Å; A13-L63 PolarHBondContact O-N 3.45Å; I15-L63 HydrophobicContact CD1-CD1 4.04Å; I15-L63 HydrophobicContact CG1-CD1 3.67Å; I15-L63 HydrophobicContact CG1-CG 3.88Å; Y32-L63 HydrophobicContact CD1-CD1 4.14Å; Y32-L63 HydrophobicContact CD1-CD2 3.95Å; Y32-L63 HydrophobicContact CE1-CD1 4.42Å; Y32-L63 HydrophobicContact CE1-CD2 3.64Å; Y32-L63 HydrophobicContact CG-CD1 4.35Å; V61-L63 HydrophobicContact CG1-CD2 4Å; L63-L66 HydrophobicContact CB-CD1 4.13Å; L63-L66 HydrophobicContact CB-CG 4.48Å; L63-L74 HydrophobicContact CD1-CD1 4.29Å; L63-F92 HydrophobicContact CD1-CE1 4.29Å; L63-F92 HydrophobicContact CD1-CZ 4.02Å
64E89.1Confident88Confident116 Ų11657.2 Ų57.254%0.54232%0.318SS..  trans-118.3169.8179.2-60.9-172.2154.500110.9T11 V62 L66T11-E64 CarbonylContact O-C 3.48Å; V62-E64 HydrophobicContact CG1-CG 4.08Å; E64-L66 PolarHBondContact O-N 2.9Å
65H86.7Confident88Confident171 Ų17158.3 Ų58.379%0.79233%0.326SS*.SBendtrans58.830.4176.7-49.891.9000114.2T11T11-H65 PolarHBondContact O-N 2.88Å
66L86.4Confident88.1Confident6 Ų655.4 Ų55.43%0.03131%0.307CS..PPolyproline II helixtrans-75.1151.9172.3-56.3175.8000110.5T11 A13 Y32 L63 E64 Y72 F92 T94T11-L66 WeakPolarHBondContact CA-O 3.47Å; T11-L66 PolarHBondContact O-N 2.85Å; A13-L66 HydrophobicContact CB-CD1 4.31Å; Y32-L66 HydrophobicContact CD2-CD2 4.12Å; Y32-L66 HydrophobicContact CE2-CD2 3.68Å; L63-L66 HydrophobicContact CB-CD1 4.13Å; L63-L66 HydrophobicContact CB-CG 4.48Å; E64-L66 PolarHBondContact O-N 2.9Å; L66-Y72 HydrophobicContact CB-CE2 3.97Å; L66-Y72 HydrophobicContact CD2-CD1 4.22Å; L66-Y72 HydrophobicContact CD2-CE1 3.82Å; L66-Y72 HydrophobicContact CD2-CE2 4.18Å; L66-F92 HydrophobicContact CD1-CE2 3.83Å; L66-F92 HydrophobicContact CD1-CZ 3.95Å; L66-T94 HydrophobicContact CB-CG2 3.87Å; L66-T94 HydrophobicContact CD1-CG2 3.82Å
67A82.3Confident88.1Confident30 Ų3050.2 Ų50.225%0.24829%0.287CS..PPolyproline II helixtrans-74.7138.7171.800000109.7T70 Y72 T94A67-T70 HydrophobicContact CB-CG2 4.46Å; A67-T70 WeakPolarHBondContact CB-OG1 3.09Å; A67-Y72 WeakPolarHBondContact CB-OH 3.1Å; A67-Y72 PolarHBondContact N-OH 2.79Å; A67-T94 WeakPolarHBondContact O-CB 3.26Å; A67-T94 PolarHBondContact O-OG1 3.27Å
68P84.6Confident88.1Confident55 Ų5544 Ų4436%0.35725%0.249SC..THydrogen-bonded Turntrans-66.6157.517429.7-35.1000110.9Y10 T70 K97Y10-P68 WeakPolarHBondContact O-CA 3.17Å; P68-T70 PolarHBondContact O-N 3.21Å; P68-T70 PolarHBondContact O-OG1 2.82Å; P68-K97 HydrophobicContact CB-CB 4.06Å
69S81.7Confident87.7Confident58 Ų5844.6 Ų44.641%0.40625%0.249SC..THydrogen-bonded Turntrans52.633.3174.8-50.10000114T94 L95 D96S69-T94 PolarHBondContact N-OG1 2.78Å; S69-L95 PolarHBondContact N-O 3.01Å; S69-L95 VanDerWaalsContact N-O 3.15Å; S69-D96 WeakPolarHBondContact CB-OD1 3.04Å; S69-D96 WeakPolarHBondContact OG-CA 3.01Å; S69-D96 PolarHBondContact OG-OD1 2.96Å
70T82.5Confident87Confident21 Ų2142.5 Ų42.513%0.12923%0.232CC..  trans-124.5132.8-171.3-60.10000110.2P34 A67 P68 Y72 T94P34-T70 HydrophobicContact CB-CG2 3.78Å; A67-T70 HydrophobicContact CB-CG2 4.46Å; A67-T70 WeakPolarHBondContact CB-OG1 3.09Å; P68-T70 PolarHBondContact O-N 3.21Å; P68-T70 PolarHBondContact O-OG1 2.82Å; T70-Y72 HydrophobicContact CG2-CD2 4.11Å; T70-Y72 HydrophobicContact CG2-CE2 3.62Å; T70-Y72 WeakPolarHBondContact O-CD2 3.47Å; T70-T94 PolarHBondContact N-OG1 2.95Å; T70-T94 PolarHBondContact O-N 3.15Å; T70-T94 PolarHBondContact O-OG1 2.62Å; T70-T94 VanDerWaalsContact O-OG1 3.11Å
71L86.6Confident85.8Confident56 Ų5644 Ų4429%0.29325%0.248SC..EExtended strand (participates in β ladder)trans-82.1125.4173.9-177.360.9000109.5N35 M91 H93N35-L71 HydrophobicContact CB-CB 4.09Å; N35-L71 HydrophobicContact CB-CD2 4.25Å; N35-L71 HydrophobicContact CB-CG 4.14Å; N35-L71 WeakPolarHBondContact CB-O 3.39Å; N35-L71 PolarHBondContact N-O 2.65Å; L71-M91 HydrophobicContact CD1-CB 4.36Å; L71-M91 HydrophobicContact CD1-CE 4.08Å; L71-M91 HydrophobicContact CD2-CE 3.59Å; L71-M91 HydrophobicContact CG-CE 3.83Å; L71-H93 HydrophobicContact CD1-CB 4.29Å
72Y87.5Confident84.5Confident13 Ų1347 Ų475%0.05127%0.274CS..EExtended strand (participates in β ladder)trans-110.2139.2178.2-77.2-91000111.2Y32 R33 P34 L66 A67 T70 M91 F92 T94Y32-Y72 HydrophobicContact CD2-CD1 4.14Å; Y32-Y72 HydrophobicContact CD2-CE1 4.34Å; R33-Y72 WeakPolarHBondContact O-CA 3.36Å; P34-Y72 HydrophobicContact CB-CD1 4.15Å; P34-Y72 HydrophobicContact CB-CE1 3.75Å; P34-Y72 HydrophobicContact CG-CE1 4.19Å; L66-Y72 HydrophobicContact CB-CE2 3.97Å; L66-Y72 HydrophobicContact CD2-CD1 4.22Å; L66-Y72 HydrophobicContact CD2-CE1 3.82Å; L66-Y72 HydrophobicContact CD2-CE2 4.18Å; A67-Y72 WeakPolarHBondContact CB-OH 3.1Å; A67-Y72 PolarHBondContact N-OH 2.79Å; T70-Y72 HydrophobicContact CG2-CD2 4.11Å; T70-Y72 HydrophobicContact CG2-CE2 3.62Å; T70-Y72 WeakPolarHBondContact O-CD2 3.47Å; Y72-M91 VanDerWaalsContact O-CA 3.3Å; Y72-M91 WeakPolarHBondContact O-CA 3.36Å; Y72-F92 HydrophobicContact CD2-CE2 4.3Å; Y72-F92 HydrophobicContact CD2-CZ 4.44Å; Y72-F92 HydrophobicContact CG-CE2 4.45Å; Y72-F92 HydrophobicContact CG-CZ 4.16Å; Y72-F92 PolarHBondContact N-O 2.49Å; Y72-F92 PolarHBondContact O-N 3.5Å; Y72-F92 VanDerWaalsContact O-N 3.09Å; Y72-T94 HydrophobicContact CD2-CG2 3.95Å; Y72-T94 HydrophobicContact CE2-CG2 3.87Å
73F89.4Confident82.9Confident58 Ų5848.3 Ų48.325%0.25427%0.274SS..EExtended strand (participates in β ladder)trans-94.8124.6164-70.7-85.9000108.6Y32 R33 N35 M91Y32-F73 CarbonylContact C-O 3.54Å; Y32-F73 WeakPolarHBondContact CA-O 3.3Å; R33-F73 HydrophobicContact CG-CB 4.01Å; R33-F73 PolarHBondContact N-O 2.83Å; R33-F73 PolarHBondContact O-N 2.91Å; N35-F73 HydrophobicContact CB-CD2 3.77Å; N35-F73 HydrophobicContact CB-CE2 3.42Å; N35-F73 VanDerWaalsContact CB-CE2 3.42Å; N35-F73 HydrophobicContact CB-CZ 4.45Å; N35-F73 VanDerWaalsContact ND2-CE2 3.35Å; N35-F73 WeakPolarHBondContact ND2-CE2 3.14Å; F73-M91 HydrophobicContact CD1-CE 3.76Å; F73-M91 HydrophobicContact CD1-CG 3.54Å; F73-M91 HydrophobicContact CD1-SD 3.7Å; F73-M91 HydrophobicContact CD2-CE 4.42Å; F73-M91 HydrophobicContact CE1-CE 3.21Å; F73-M91 HydrophobicContact CE1-CG 3.77Å; F73-M91 HydrophobicContact CE1-SD 3.23Å; F73-M91 WeakPolarHBondContact CE1-SD 3.35Å; F73-M91 HydrophobicContact CE2-CE 3.98Å; F73-M91 HydrophobicContact CG-CE 4.34Å; F73-M91 HydrophobicContact CG-CG 4.37Å; F73-M91 HydrophobicContact CZ-CE 3.32Å; F73-M91 HydrophobicContact CZ-SD 3.96Å
74L91.1Very high81.9Confident0 Ų053.7 Ų53.70%031%0.309CS..EExtended strand (participates in β ladder)trans-120.7131.7178.917373000109I3 I15 I30 M31 L63 C89 T90 F92I3-L74 HydrophobicContact CG2-CD2 4.42Å; I15-L74 HydrophobicContact CB-CD2 4.25Å; I15-L74 HydrophobicContact CD1-CD2 3.63Å; I15-L74 HydrophobicContact CG1-CD2 3.69Å; I15-L74 HydrophobicContact CG2-CD2 3.56Å; I30-L74 HydrophobicContact CG2-CD1 3.69Å; M31-L74 CarbonylContact O-C 3.48Å; M31-L74 WeakPolarHBondContact O-CA 3.49Å; L63-L74 HydrophobicContact CD1-CD1 4.29Å; L74-C89 CarbonylContact O-C 3.53Å; L74-C89 WeakPolarHBondContact O-CA 3.48Å; L74-T90 HydrophobicContact CB-CG2 4.25Å; L74-T90 HydrophobicContact CD2-CG2 4.01Å; L74-T90 HydrophobicContact CG-CG2 4.5Å; L74-T90 PolarHBondContact N-O 2.71Å; L74-T90 PolarHBondContact O-N 2.91Å; L74-T90 VanDerWaalsContact O-O 3.11Å; L74-F92 HydrophobicContact CB-CD1 4.38Å; L74-F92 HydrophobicContact CB-CE1 4.07Å; L74-F92 HydrophobicContact CD2-CE1 4.34Å
75C90.4Very high80.8Confident31 Ų3153 Ų5321%0.20930%0.302CS..EExtended strand (participates in β ladder)trans-130133.6175.3-63.90000110.3M31 Y88 C89M31-C75 PolarHBondContact N-O 2.05Å; M31-C75 PolarHBondContact O-N 2.82Å; C75-Y88 CarbonylContact C-O 3.58Å; C75-Y88 VanDerWaalsContact CA-O 3.3Å; C75-Y88 WeakPolarHBondContact CA-O 3.31Å; C75-C89 HydrophobicContact CB-CB 4.16Å; C75-C89 WeakPolarHBondContact CB-SG 3.43Å; C75-C89 WeakPolarHBondContact SG-CB 3.39Å; C75-C89 CovalentContact SG-SG 2.05Å; C75-C89 PolarHBondContact SG-SG 2.76Å
76I90.9Very high80.2Confident0 Ų049.5 Ų49.50%028%0.281CS..EExtended strand (participates in β ladder)trans-114.2129.7172.2-50.6176.5000108.4M1 I3 I15 W17 Y28 H29 I30 Y88M1-I76 HydrophobicContact CE-CB 3.64Å; M1-I76 HydrophobicContact CE-CD1 4.03Å; M1-I76 HydrophobicContact CE-CG1 4.45Å; M1-I76 HydrophobicContact CE-CG2 3.23Å; I3-I76 HydrophobicContact CD1-CB 4.26Å; I3-I76 HydrophobicContact CD1-CD1 3.94Å; I3-I76 HydrophobicContact CD1-CG1 4.01Å; I3-I76 HydrophobicContact CG1-CD1 4.15Å; I3-I76 HydrophobicContact CG2-CD1 4.33Å; I15-I76 HydrophobicContact CG2-CD1 4.25Å; W17-I76 HydrophobicContact CB-CD1 4.1Å; W17-I76 HydrophobicContact CD2-CD1 3.64Å; W17-I76 HydrophobicContact CE3-CD1 3.48Å; W17-I76 VanDerWaalsContact CE3-CD1 3.48Å; W17-I76 HydrophobicContact CG-CD1 3.94Å; W17-I76 HydrophobicContact CZ3-CD1 4.16Å; Y28-I76 HydrophobicContact CD1-CG2 4.1Å; Y28-I76 HydrophobicContact CG-CG2 4.46Å; H29-I76 CarbonylContact O-C 3.44Å; H29-I76 WeakPolarHBondContact O-CA 3.46Å; I30-I76 HydrophobicContact CG1-CG1 4.3Å; I30-I76 HydrophobicContact CG1-CG2 4.22Å; I30-I76 HydrophobicContact CG2-CG1 4.45Å; I76-Y88 PolarHBondContact N-O 3.16Å; I76-Y88 PolarHBondContact O-N 3.15Å
77S87.8Confident80.1Confident0 Ų054.3 Ų54.30%030%0.304CS..EExtended strand (participates in β ladder)trans-118.6139.4-174.6-32.10000110.4H29 R86 H87H29-S77 PolarHBondContact N-O 2.66Å; H29-S77 PolarHBondContact O-N 2.96Å; S77-R86 WeakPolarHBondContact CA-O 3.32Å; S77-H87 WeakPolarHBondContact CB-ND1 3.23Å; S77-H87 PolarHBondContact OG-CE1 3.28Å; S77-H87 PolarHBondContact OG-ND1 3.11Å
78C85.3Confident80.4Confident2 Ų255.2 Ų55.21%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-144.7132.2-178.9163.40000108.7C23 Y28 R86C23-C78 WeakPolarHBondContact CA-SG 2.96Å; C23-C78 HydrophobicContact CB-CB 4.25Å; C23-C78 WeakPolarHBondContact CB-SG 3.44Å; C23-C78 WeakPolarHBondContact SG-CB 3.3Å; C23-C78 CovalentContact SG-SG 2.01Å; C23-C78 PolarHBondContact SG-SG 3.07Å; Y28-C78 HydrophobicContact CD1-CB 4.18Å; Y28-C78 HydrophobicContact CE1-CB 4.23Å; C78-R86 PolarHBondContact N-O 2.85Å; C78-R86 PolarHBondContact O-N 3.33Å
79K81.1Confident80.6Confident85 Ų8556.5 Ų56.537%0.3731%0.31SS..  trans-83.8129172-163.8-163.8-169.4176.80108.8L24 E25 Y85L24-K79 WeakPolarHBondContact CB-O 3.4Å; L24-K79 HydrophobicContact CD2-CD 4.25Å; L24-K79 PolarHBondContact N-O 2.79Å; E25-K79 WeakPolarHBondContact OE1-CD 3.04Å; E25-K79 IonicContact OE1-NZ 2.99Å; E25-K79 PolarHBondContact OE1-NZ 2.99Å; E25-K79 VanDerWaalsContact OE2-CB 3.29Å; E25-K79 WeakPolarHBondContact OE2-CB 3.35Å; E25-K79 WeakPolarHBondContact OE2-CD 3.38Å; E25-K79 IonicContact OE2-NZ 3.88Å; K79-Y85 HydrophobicContact CB-CD2 4.09Å; K79-Y85 HydrophobicContact CB-CE2 4.18Å; K79-Y85 HydrophobicContact CG-CD2 4.32Å
80K75.6Confident81.1Confident22 Ų2255.8 Ų55.810%0.09630%0.303CS..  trans-108.8152.5178-68-170.3169.3-155.20110E21 A82E21-K80 IonicContact OE2-NZ 2.73Å; E21-K80 PolarHBondContact OE2-NZ 3.09Å; K80-A82 VanDerWaalsContact C-N 3.28Å; K80-A82 PolarHBondContact O-N 2.81Å
81A66.1Low81.5Confident92 Ų9259 Ų5976%0.7632%0.318SS*.SBendtrans-62.8-34.6177.300000112.8L24L24-A81 HydrophobicContact CD1-CB 3.77Å
82A65.2Low81.6Confident82 Ų8256.8 Ų56.868%0.67831%0.306SS*.SBendtrans-94.2-13.6-173.400000114.8K80K80-A82 VanDerWaalsContact C-N 3.28Å; K80-A82 PolarHBondContact O-N 2.81Å
83F59.2Low81.6Confident114 Ų11460.6 Ų60.650%0.532%0.324SS..SBendtrans-148.9139.4-177.9-75.9-84.7000111.5R86F83-R86 VanDerWaalsContact CD2-NH2 3.27Å
84P70.6Confident81.5Confident116 Ų11657.9 Ų57.975%0.75331%0.312SS*.SBendtrans-60157.2171.826.3-32.2000111R86P84-R86 PolarHBondContact O-N 2.72Å
85Y66.2Low81.3Confident100 Ų10062.5 Ų62.539%0.39234%0.336SS..  trans-20.4114.6-171.9-126.3-106.3000115.4K79 H87K79-Y85 HydrophobicContact CB-CD2 4.09Å; K79-Y85 HydrophobicContact CB-CE2 4.18Å; K79-Y85 HydrophobicContact CG-CD2 4.32Å; Y85-H87 AromaticContact CD1-CE1 3.42Å; Y85-H87 VanDerWaalsContact CD1-CE1 3.42Å; Y85-H87 WeakPolarHBondContact CD1-CE1 2.92Å; Y85-H87 AromaticContact CD1-NE2 3.65Å; Y85-H87 AromaticContact CE1-CE1 3.75Å
86R73.6Confident80.6Confident98 Ų9865.5 Ų65.537%0.3735%0.35SS..EExtended strand (participates in β ladder)trans-103127.1170.9-71.4-168.4-178.51792.8109.8S77 C78 F83 P84 Y88S77-R86 WeakPolarHBondContact CA-O 3.32Å; C78-R86 PolarHBondContact N-O 2.85Å; C78-R86 PolarHBondContact O-N 3.33Å; F83-R86 VanDerWaalsContact CD2-NH2 3.27Å; P84-R86 PolarHBondContact O-N 2.72Å; R86-Y88 HydrophobicContact CB-CE2 3.91Å
87H85Confident79.6Confident107 Ų10771.9 Ų71.950%0.49538%0.378SS..EExtended strand (participates in β ladder)trans-98.1124.1172.3-58.5-79.8000109S77 Y85S77-H87 WeakPolarHBondContact CB-ND1 3.23Å; S77-H87 PolarHBondContact OG-CE1 3.28Å; S77-H87 PolarHBondContact OG-ND1 3.11Å; Y85-H87 AromaticContact CD1-CE1 3.42Å; Y85-H87 VanDerWaalsContact CD1-CE1 3.42Å; Y85-H87 WeakPolarHBondContact CD1-CE1 2.92Å; Y85-H87 AromaticContact CD1-NE2 3.65Å; Y85-H87 AromaticContact CE1-CE1 3.75Å
88Y88.3Confident78.1Confident50 Ų5076 Ų7620%0.19641%0.407CS..EExtended strand (participates in β ladder)trans-106.2115.4173.3-66.6-85.5000107.9M1 I3 C75 I76 R86M1-Y88 HydrophobicContact CB-CD1 3.94Å; M1-Y88 HydrophobicContact CB-CD2 3.68Å; M1-Y88 HydrophobicContact CB-CE1 4.01Å; M1-Y88 HydrophobicContact CB-CE2 3.72Å; M1-Y88 HydrophobicContact CB-CG 3.78Å; M1-Y88 HydrophobicContact CG-CD2 4.4Å; I3-Y88 WeakPolarHBondContact CD1-O 3.08Å; C75-Y88 CarbonylContact C-O 3.58Å; C75-Y88 VanDerWaalsContact CA-O 3.3Å; C75-Y88 WeakPolarHBondContact CA-O 3.31Å; I76-Y88 PolarHBondContact N-O 3.16Å; I76-Y88 PolarHBondContact O-N 3.15Å; R86-Y88 HydrophobicContact CB-CE2 3.91Å
89C89.7Confident76.3Confident82 Ų8278.3 Ų78.355%0.55442%0.422SS*.EExtended strand (participates in β ladder)trans-116.3145.2-174.1-57.70000111.8L74 C75L74-C89 CarbonylContact O-C 3.53Å; L74-C89 WeakPolarHBondContact O-CA 3.48Å; C75-C89 HydrophobicContact CB-CB 4.16Å; C75-C89 WeakPolarHBondContact CB-SG 3.43Å; C75-C89 WeakPolarHBondContact SG-CB 3.39Å; C75-C89 CovalentContact SG-SG 2.05Å; C75-C89 PolarHBondContact SG-SG 2.76Å
90T91.4Very high74.7Confident42 Ų4283 Ų8326%0.25845%0.451SS..EExtended strand (participates in β ladder)trans-140.1166.3172.5-168.80000109.5I3 V5 L74I3-T90 HydrophobicContact CB-CG2 4.26Å; I3-T90 HydrophobicContact CG2-CG2 3.76Å; V5-T90 HydrophobicContact CG2-CG2 3.97Å; L74-T90 HydrophobicContact CB-CG2 4.25Å; L74-T90 HydrophobicContact CD2-CG2 4.01Å; L74-T90 HydrophobicContact CG-CG2 4.5Å; L74-T90 PolarHBondContact N-O 2.71Å; L74-T90 PolarHBondContact O-N 2.91Å; L74-T90 VanDerWaalsContact O-O 3.11Å
91M89.8Confident73Confident89 Ų8984.7 Ų84.744%0.43847%0.468SS..EExtended strand (participates in β ladder)trans-125.3141.2177.6-60.7178.268.500109.3L71 Y72 F73L71-M91 HydrophobicContact CD1-CB 4.36Å; L71-M91 HydrophobicContact CD1-CE 4.08Å; L71-M91 HydrophobicContact CD2-CE 3.59Å; L71-M91 HydrophobicContact CG-CE 3.83Å; Y72-M91 VanDerWaalsContact O-CA 3.3Å; Y72-M91 WeakPolarHBondContact O-CA 3.36Å; F73-M91 HydrophobicContact CD1-CE 3.76Å; F73-M91 HydrophobicContact CD1-CG 3.54Å; F73-M91 HydrophobicContact CD1-SD 3.7Å; F73-M91 HydrophobicContact CD2-CE 4.42Å; F73-M91 HydrophobicContact CE1-CE 3.21Å; F73-M91 HydrophobicContact CE1-CG 3.77Å; F73-M91 HydrophobicContact CE1-SD 3.23Å; F73-M91 WeakPolarHBondContact CE1-SD 3.35Å; F73-M91 HydrophobicContact CE2-CE 3.98Å; F73-M91 HydrophobicContact CG-CE 4.34Å; F73-M91 HydrophobicContact CG-CG 4.37Å; F73-M91 HydrophobicContact CZ-CE 3.32Å; F73-M91 HydrophobicContact CZ-SD 3.96Å
92F89.5Confident71.8Confident10 Ų1087.4 Ų87.44%0.04448%0.478CS..EExtended strand (participates in β ladder)trans-144.2149.6174.970.5-88.5000110.4V5 I8 A13 I15 L63 L66 Y72 L74 T94V5-F92 HydrophobicContact CB-CB 4.39Å; V5-F92 HydrophobicContact CG1-CB 3.83Å; V5-F92 HydrophobicContact CG1-CD1 4.29Å; V5-F92 HydrophobicContact CG1-CD2 4.28Å; V5-F92 HydrophobicContact CG1-CG 3.89Å; V5-F92 HydrophobicContact CG2-CB 4.34Å; V5-F92 HydrophobicContact CG2-CD1 4.39Å; I8-F92 HydrophobicContact CD1-CB 4.44Å; A13-F92 HydrophobicContact CB-CD2 4.22Å; A13-F92 HydrophobicContact CB-CE2 3.74Å; A13-F92 HydrophobicContact CB-CZ 4.22Å; I15-F92 HydrophobicContact CD1-CE1 4.21Å; L63-F92 HydrophobicContact CD1-CE1 4.29Å; L63-F92 HydrophobicContact CD1-CZ 4.02Å; L66-F92 HydrophobicContact CD1-CE2 3.83Å; L66-F92 HydrophobicContact CD1-CZ 3.95Å; Y72-F92 HydrophobicContact CD2-CE2 4.3Å; Y72-F92 HydrophobicContact CD2-CZ 4.44Å; Y72-F92 HydrophobicContact CG-CE2 4.45Å; Y72-F92 HydrophobicContact CG-CZ 4.16Å; Y72-F92 PolarHBondContact N-O 2.49Å; Y72-F92 PolarHBondContact O-N 3.5Å; Y72-F92 VanDerWaalsContact O-N 3.09Å; L74-F92 HydrophobicContact CB-CD1 4.38Å; L74-F92 HydrophobicContact CB-CE1 4.07Å; L74-F92 HydrophobicContact CD2-CE1 4.34Å; F92-T94 HydrophobicContact CE2-CG2 4.17Å
93H87.8Confident70.9Confident93 Ų9386.8 Ų86.843%0.43148%0.479SS..EExtended strand (participates in β ladder)trans-106.1127.4178.9-170.1-93.5000108.8I8 L71I8-H93 VanDerWaalsContact CG2-O 3.31Å; I8-H93 WeakPolarHBondContact CG2-O 3.37Å; L71-H93 HydrophobicContact CD1-CB 4.29Å
94T88.1Confident70.1Confident0 Ų084.8 Ų84.80%048%0.479CS..PPolyproline II helixtrans-67.6149.3171.650.30000110L66 A67 S69 T70 Y72 F92L66-T94 HydrophobicContact CB-CG2 3.87Å; L66-T94 HydrophobicContact CD1-CG2 3.82Å; A67-T94 WeakPolarHBondContact O-CB 3.26Å; A67-T94 PolarHBondContact O-OG1 3.27Å; S69-T94 PolarHBondContact N-OG1 2.78Å; T70-T94 PolarHBondContact N-OG1 2.95Å; T70-T94 PolarHBondContact O-N 3.15Å; T70-T94 PolarHBondContact O-OG1 2.62Å; T70-T94 VanDerWaalsContact O-OG1 3.11Å; Y72-T94 HydrophobicContact CD2-CG2 3.95Å; Y72-T94 HydrophobicContact CE2-CG2 3.87Å; F92-T94 HydrophobicContact CE2-CG2 4.17Å
95L85.1Confident68.8Low97 Ų9783 Ų8351%0.50847%0.47SS..PPolyproline II helixtrans-64.2153.6177.1-67.7179.6000109.9I8 S9 Y10 S69 K97I8-L95 HydrophobicContact CG2-CG 4.36Å; I8-L95 WeakPolarHBondContact O-CD1 3.42Å; S9-L95 PolarHBondContact O-N 2.98Å; S9-L95 VanDerWaalsContact O-N 3.15Å; Y10-L95 WeakPolarHBondContact CA-O 3.41Å; S69-L95 PolarHBondContact N-O 3.01Å; S69-L95 VanDerWaalsContact N-O 3.15Å; L95-K97 PolarHBondContact O-N 3.03Å
96D75.8Confident68.5Low94 Ų9486.3 Ų86.350%0.50349%0.494SS..PPolyproline II helixtrans-59.1143.8163.8-59.2-43.4000108S69 S98S69-D96 WeakPolarHBondContact CB-OD1 3.04Å; S69-D96 WeakPolarHBondContact OG-CA 3.01Å; S69-D96 PolarHBondContact OG-OD1 2.96Å; D96-S98 PolarHBondContact O-N 3.17Å
97K70.3Confident67.6Low134 Ų13486.1 Ų86.158%0.58350%0.503SS*.  trans-69.770.6161.6-173.5166.1-178.2171.20106.3Y10 P68 L95 P99Y10-K97 HydrophobicContact CD2-CB 4.17Å; Y10-K97 HydrophobicContact CD2-CD 4.01Å; Y10-K97 HydrophobicContact CD2-CG 4.08Å; Y10-K97 HydrophobicContact CE2-CD 4.13Å; Y10-K97 HydrophobicContact CE2-CG 4.48Å; Y10-K97 HydrophobicContact CG-CB 4.28Å; Y10-K97 HydrophobicContact CG-CG 4.37Å; P68-K97 HydrophobicContact CB-CB 4.06Å; L95-K97 PolarHBondContact O-N 3.03Å; K97-P99 WeakPolarHBondContact O-CD 3.13Å; K97-P99 VanDerWaalsContact O-N 3.11Å
98S56.1Low66Low87 Ų8784 Ų8461%0.60850%0.496SS*.  trans-62.8114.3173.149.10000105.5D96 L100D96-S98 PolarHBondContact O-N 3.17Å; S98-L100 PolarHBondContact O-N 2.8Å
99P48.1Very low64.7Low51 Ų5186 Ų8633%0.33151%0.514SS..  trans-55.7128.3151.930.1-36.5000104.5K97 A101 S104K97-P99 WeakPolarHBondContact O-CD 3.13Å; K97-P99 VanDerWaalsContact O-N 3.11Å; P99-A101 VanDerWaalsContact CG-O 3.24Å; P99-A101 WeakPolarHBondContact CG-O 3.37Å; P99-A101 PolarHBondContact O-N 2.72Å; P99-S104 VanDerWaalsContact CB-OG 3.25Å; P99-S104 WeakPolarHBondContact CB-OG 3.34Å; P99-S104 VanDerWaalsContact CD-OG 3.26Å; P99-S104 WeakPolarHBondContact CD-OG 3.25Å; P99-S104 WeakPolarHBondContact CG-OG 3.24Å
100L47.8Very low63.3Low184 Ų18488.2 Ų88.296%0.96352%0.516SS*.SBendtrans-67.271.6157.3-79.9146.3000107.1S98S98-L100 PolarHBondContact O-N 2.8Å
101A39.8Very low62.1Low56 Ų5690.6 Ų90.646%0.46353%0.527SS..SBendtrans179.7134.7168.300000108P99 G103P99-A101 VanDerWaalsContact CG-O 3.24Å; P99-A101 WeakPolarHBondContact CG-O 3.37Å; P99-A101 PolarHBondContact O-N 2.72Å; A101-G103 VanDerWaalsContact C-N 3.28Å; A101-G103 PolarHBondContact O-N 3.22Å
102P41.8Very low61.1Low150 Ų15089.4 Ų89.497%0.97453%0.527SS*.SBendtrans-61.293.2163.528.1-30.9000107.8
103G45.5Very low60.6Low68 Ų6893.3 Ų93.370%0.70155%0.548SS*.  trans165.716.2-17300000119.8A101A101-G103 VanDerWaalsContact C-N 3.28Å; A101-G103 PolarHBondContact O-N 3.22Å
104S41.7Very low60.6Low72 Ų7297.8 Ų97.850%0.50356%0.561SS.*  trans-132.756170.499.50000113.3P99P99-S104 VanDerWaalsContact CB-OG 3.25Å; P99-S104 WeakPolarHBondContact CB-OG 3.34Å; P99-S104 VanDerWaalsContact CD-OG 3.26Å; P99-S104 WeakPolarHBondContact CD-OG 3.25Å; P99-S104 WeakPolarHBondContact CG-OG 3.24Å
105S44.3Very low60.6Low79 Ų79101.4 Ų101.455%0.55258%0.583SS**SBendtrans-80.4124.8135.7178.70000106.7V107S105-V107 CarbonylContact O-C 3.46Å; S105-V107 VanDerWaalsContact O-C 3.26Å; S105-V107 PolarHBondContact O-N 2.96Å
106L59.1Low60.7Low170 Ų170101.3 Ų101.389%0.8958%0.583SS**SBendtrans-33.9102160.3-167.879.4000110.2
107V55.1Low61.5Low94 Ų94102 Ų10257%0.5758%0.584SS**SBendtrans59.9110-164.3-163.50000112.3S105 P109 I111S105-V107 CarbonylContact O-C 3.46Å; S105-V107 VanDerWaalsContact O-C 3.26Å; S105-V107 PolarHBondContact O-N 2.96Å; V107-P109 WeakPolarHBondContact O-CD 3.4Å; V107-P109 VanDerWaalsContact O-N 3.09Å; V107-I111 HydrophobicContact CG1-CB 4.48Å; V107-I111 HydrophobicContact CG1-CG2 4.39Å
108D52.3Low62.6Low63 Ų6398.3 Ų98.334%0.33758%0.579SS.*  trans-44.8120.4170.817419.2000109.4Q110 I111 S112D108-Q110 CarbonylContact O-C 3.57Å; D108-Q110 PolarHBondContact O-N 3.17Å; D108-Q110 PolarHBondContact OD1-N 3.48Å; D108-Q110 VanDerWaalsContact OD1-N 3.17Å; D108-Q110 WeakPolarHBondContact OD2-CB 3.47Å; D108-I111 HydrophobicContact CB-CB 3.97Å; D108-I111 HydrophobicContact CB-CD1 3.62Å; D108-I111 HydrophobicContact CB-CG1 3.76Å; D108-I111 WeakPolarHBondContact O-CA 3.49Å; D108-I111 PolarHBondContact O-N 2.91Å; D108-I111 WeakPolarHBondContact OD2-CG1 3.23Å; D108-S112 PolarHBondContact O-N 3.34Å
109P59.3Low64.5Low90 Ų9098.8 Ų98.858%0.58457%0.574SS**Hα-helixtrans-55.9-24-179.718.9-30.4000112V107 L113V107-P109 WeakPolarHBondContact O-CD 3.4Å; V107-P109 VanDerWaalsContact O-N 3.09Å; P109-L113 WeakPolarHBondContact O-CB 3.33Å; P109-L113 PolarHBondContact O-N 2.87Å; P109-L113 VanDerWaalsContact O-N 3.16Å
110Q60.8Low66.7Low129 Ų129101 Ų10160%0.60358%0.582SS**Hα-helixtrans-69.1-53.9168.7-58.7-169.9-22.600111.4D108 S112 L113 W114D108-Q110 CarbonylContact O-C 3.57Å; D108-Q110 PolarHBondContact O-N 3.17Å; D108-Q110 PolarHBondContact OD1-N 3.48Å; D108-Q110 VanDerWaalsContact OD1-N 3.17Å; D108-Q110 WeakPolarHBondContact OD2-CB 3.47Å; Q110-S112 VanDerWaalsContact C-N 3.26Å; Q110-S112 PolarHBondContact O-N 3.48Å; Q110-L113 WeakPolarHBondContact O-CA 3.47Å; Q110-L113 WeakPolarHBondContact O-CB 3.49Å; Q110-L113 PolarHBondContact O-N 3.45Å; Q110-W114 PolarHBondContact O-N 3.38Å
111I65.4Low69Low92 Ų9297.7 Ų97.747%0.47257%0.565SS.*Hα-helixtrans-55.6-40.6177.2-64.1169000111.8V107 D108 L113 W114 V115V107-I111 HydrophobicContact CG1-CB 4.48Å; V107-I111 HydrophobicContact CG1-CG2 4.39Å; D108-I111 HydrophobicContact CB-CB 3.97Å; D108-I111 HydrophobicContact CB-CD1 3.62Å; D108-I111 HydrophobicContact CB-CG1 3.76Å; D108-I111 WeakPolarHBondContact O-CA 3.49Å; D108-I111 PolarHBondContact O-N 2.91Å; D108-I111 WeakPolarHBondContact OD2-CG1 3.23Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 3.28Å; I111-W114 PolarHBondContact O-N 2.88Å; I111-V115 HydrophobicContact CG2-CG2 4.37Å; I111-V115 WeakPolarHBondContact O-CB 3.24Å; I111-V115 VanDerWaalsContact O-CG2 3.26Å; I111-V115 WeakPolarHBondContact O-CG2 3.19Å; I111-V115 PolarHBondContact O-N 2.94Å
112S69.3Low71.7Confident64 Ų6497.6 Ų97.645%0.44856%0.564SS.*Hα-helixtrans-61.4-42.1175.4-171.20000112D108 Q110 V115 L116D108-S112 PolarHBondContact O-N 3.34Å; Q110-S112 VanDerWaalsContact C-N 3.26Å; Q110-S112 PolarHBondContact O-N 3.48Å; S112-V115 PolarHBondContact O-N 3.03Å; S112-L116 WeakPolarHBondContact O-CB 3.26Å; S112-L116 PolarHBondContact O-N 2.89Å
113L79.8Confident74.3Confident92 Ų9294.1 Ų94.148%0.48254%0.542SS..Hα-helixtrans-67.7-42.3176.1-172.968.7000111.9P109 Q110 I111 V115 L116 M117P109-L113 WeakPolarHBondContact O-CB 3.33Å; P109-L113 PolarHBondContact O-N 2.87Å; P109-L113 VanDerWaalsContact O-N 3.16Å; Q110-L113 WeakPolarHBondContact O-CA 3.47Å; Q110-L113 WeakPolarHBondContact O-CB 3.49Å; Q110-L113 PolarHBondContact O-N 3.45Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 3.28Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 2.83Å; L113-L116 PolarHBondContact O-N 3.48Å; L113-M117 HydrophobicContact CD1-CE 4.03Å; L113-M117 HydrophobicContact CG-CG 4.41Å; L113-M117 WeakPolarHBondContact O-CB 3.28Å; L113-M117 WeakPolarHBondContact O-CG 3.4Å; L113-M117 PolarHBondContact O-N 2.87Å
114W87.1Confident76.8Confident187 Ų18797 Ų9771%0.70854%0.536SS*.Hα-helixtrans-61.3-42.9176.1-68.3109.3000111.7Q110 I111 M117 A118Q110-W114 PolarHBondContact O-N 3.38Å; I111-W114 PolarHBondContact O-N 2.88Å; W114-M117 PolarHBondContact O-N 3.28Å; W114-A118 VanDerWaalsContact O-CB 3.24Å; W114-A118 WeakPolarHBondContact O-CB 3.48Å; W114-A118 PolarHBondContact O-N 2.88Å
115V87.8Confident79.4Confident76 Ų7697.1 Ų97.146%0.46153%0.534SS..Hα-helixtrans-66-44176.6171.90000110.7I111 S112 L113 M117 A118 I119I111-V115 HydrophobicContact CG2-CG2 4.37Å; I111-V115 WeakPolarHBondContact O-CB 3.24Å; I111-V115 VanDerWaalsContact O-CG2 3.26Å; I111-V115 WeakPolarHBondContact O-CG2 3.19Å; I111-V115 PolarHBondContact O-N 2.94Å; S112-V115 PolarHBondContact O-N 3.03Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 2.83Å; V115-M117 PolarHBondContact O-N 3.32Å; V115-A118 PolarHBondContact O-N 2.83Å; V115-I119 HydrophobicContact CG1-CD1 3.69Å; V115-I119 HydrophobicContact CG1-CG1 4.37Å; V115-I119 WeakPolarHBondContact O-CB 3.48Å; V115-I119 VanDerWaalsContact O-CG1 3.23Å; V115-I119 WeakPolarHBondContact O-CG1 3.4Å; V115-I119 PolarHBondContact O-N 2.98Å
116L88.6Confident81.9Confident96 Ų9696.2 Ų96.250%0.50353%0.531SS..Hα-helixtrans-61-44.9176.2-173.568000111.4S112 L113 I119 L120S112-L116 WeakPolarHBondContact O-CB 3.26Å; S112-L116 PolarHBondContact O-N 2.89Å; L113-L116 PolarHBondContact O-N 3.48Å; L116-I119 PolarHBondContact O-N 3.47Å; L116-L120 HydrophobicContact CG-CD1 4.1Å; L116-L120 WeakPolarHBondContact O-CB 3.35Å; L116-L120 VanDerWaalsContact O-CG 3.23Å; L116-L120 WeakPolarHBondContact O-CG 3.38Å; L116-L120 PolarHBondContact O-N 2.89Å
117M91.3Very high83.7Confident107 Ų10792 Ų9253%0.52751%0.512SS..Hα-helixtrans-64.7-39.7176.4-70.2-62.2-176.300112L113 W114 V115 L120 L121L113-M117 HydrophobicContact CD1-CE 4.03Å; L113-M117 HydrophobicContact CG-CG 4.41Å; L113-M117 WeakPolarHBondContact O-CB 3.28Å; L113-M117 WeakPolarHBondContact O-CG 3.4Å; L113-M117 PolarHBondContact O-N 2.87Å; W114-M117 PolarHBondContact O-N 3.28Å; V115-M117 PolarHBondContact O-N 3.32Å; M117-L120 PolarHBondContact O-N 3.45Å; M117-L120 HydrophobicContact SD-CD1 4.48Å; M117-L121 VanDerWaalsContact O-CB 3.25Å; M117-L121 WeakPolarHBondContact O-CB 3.35Å; M117-L121 PolarHBondContact O-N 3.47Å
118A94.1Very high85.6Confident58 Ų5891.2 Ų91.248%0.47950%0.504SS..Hα-helixtrans-64.9-42.917600000111.8W114 V115 L121 A122W114-A118 VanDerWaalsContact O-CB 3.24Å; W114-A118 WeakPolarHBondContact O-CB 3.48Å; W114-A118 PolarHBondContact O-N 2.88Å; V115-A118 PolarHBondContact O-N 2.83Å; A118-L121 PolarHBondContact O-N 3.01Å; A118-A122 VanDerWaalsContact O-CB 3.28Å; A118-A122 WeakPolarHBondContact O-CB 3.23Å; A118-A122 PolarHBondContact O-N 3.16Å
119I94.9Very high87.6Confident97 Ų9790.6 Ų90.650%0.49751%0.508SS..Hα-helixtrans-65.1-45.4176.2-67.9165.9000110.5V115 L116 L121 A122 C123V115-I119 HydrophobicContact CG1-CD1 3.69Å; V115-I119 HydrophobicContact CG1-CG1 4.37Å; V115-I119 WeakPolarHBondContact O-CB 3.48Å; V115-I119 VanDerWaalsContact O-CG1 3.23Å; V115-I119 WeakPolarHBondContact O-CG1 3.4Å; V115-I119 PolarHBondContact O-N 2.98Å; L116-I119 PolarHBondContact O-N 3.47Å; I119-L121 VanDerWaalsContact C-N 3.34Å; I119-L121 PolarHBondContact O-N 2.89Å; I119-A122 PolarHBondContact O-N 3.36Å; I119-C123 WeakPolarHBondContact O-CB 3.38Å; I119-C123 PolarHBondContact O-N 3.46Å; I119-C123 PolarHBondContact O-SG 2.89Å
120L95.2Very high89.3Confident98 Ų9892.3 Ų92.351%0.51351%0.507SS..Hα-helixtrans-60.3-44.5177-75168.9000111.6L116 M117 C123 F124L116-L120 HydrophobicContact CG-CD1 4.1Å; L116-L120 WeakPolarHBondContact O-CB 3.35Å; L116-L120 VanDerWaalsContact O-CG 3.23Å; L116-L120 WeakPolarHBondContact O-CG 3.38Å; L116-L120 PolarHBondContact O-N 2.89Å; M117-L120 PolarHBondContact O-N 3.45Å; M117-L120 HydrophobicContact SD-CD1 4.48Å; L120-C123 PolarHBondContact O-N 3.14Å; L120-F124 WeakPolarHBondContact O-CB 3.25Å; L120-F124 PolarHBondContact O-N 2.89Å
121L95.9Very high90.8Very high114 Ų11490.9 Ų90.960%0.59750%0.502SS*.Hα-helixtrans-65.4-41.4177.3-173.665000111.7M117 A118 I119 F124 T125M117-L121 VanDerWaalsContact O-CB 3.25Å; M117-L121 WeakPolarHBondContact O-CB 3.35Å; M117-L121 PolarHBondContact O-N 3.47Å; A118-L121 PolarHBondContact O-N 3.01Å; I119-L121 VanDerWaalsContact C-N 3.34Å; I119-L121 PolarHBondContact O-N 2.89Å; L121-F124 PolarHBondContact O-N 3.46Å; L121-T125 HydrophobicContact CD1-CG2 4.47Å; L121-T125 WeakPolarHBondContact O-CB 3.33Å; L121-T125 VanDerWaalsContact O-CG2 3.29Å; L121-T125 WeakPolarHBondContact O-CG2 3.27Å; L121-T125 PolarHBondContact O-N 2.88Å; L121-T125 PolarHBondContact O-OG1 3.47Å
122A96.8Very high92Very high54 Ų5490.4 Ų90.445%0.44651%0.506SS..Hα-helixtrans-61.7-43.517500000111.7A118 I119 T125 A126A118-A122 VanDerWaalsContact O-CB 3.28Å; A118-A122 WeakPolarHBondContact O-CB 3.23Å; A118-A122 PolarHBondContact O-N 3.16Å; I119-A122 PolarHBondContact O-N 3.36Å; A122-T125 WeakPolarHBondContact CA-OG1 3.49Å; A122-T125 PolarHBondContact O-OG1 3.48Å; A122-A126 WeakPolarHBondContact O-CB 3.35Å; A122-A126 PolarHBondContact O-N 3.29Å
123C97Very high92.9Very high76 Ų7692.6 Ų92.651%0.51451%0.512SS..Hα-helixtrans-62.5-46175.1-77.20000111.9I119 L120 A126 V127I119-C123 WeakPolarHBondContact O-CB 3.38Å; I119-C123 PolarHBondContact O-N 3.46Å; I119-C123 PolarHBondContact O-SG 2.89Å; L120-C123 PolarHBondContact O-N 3.14Å; C123-A126 PolarHBondContact O-N 3.33Å; C123-V127 WeakPolarHBondContact O-CG2 3.29Å; C123-V127 PolarHBondContact O-N 2.91Å
124F96.9Very high93.1Very high128 Ų12892.6 Ų92.656%0.56151%0.51SS*.Hα-helixtrans-63.4-44.4-179.8-173.4-105.2000111.9L120 L121 A126 V127 L128L120-F124 WeakPolarHBondContact O-CB 3.25Å; L120-F124 PolarHBondContact O-N 2.89Å; L121-F124 PolarHBondContact O-N 3.46Å; F124-A126 PolarHBondContact O-N 3.44Å; F124-V127 PolarHBondContact O-N 2.82Å; F124-L128 HydrophobicContact CD1-CD1 3.75Å; F124-L128 HydrophobicContact CD1-CG 4.24Å; F124-L128 HydrophobicContact CE1-CD1 3.29Å; F124-L128 HydrophobicContact CE1-CG 3.95Å; F124-L128 HydrophobicContact CZ-CD1 3.85Å; F124-L128 HydrophobicContact CZ-CD2 4.25Å; F124-L128 HydrophobicContact CZ-CG 4.13Å; F124-L128 WeakPolarHBondContact O-CG 3.22Å; F124-L128 PolarHBondContact O-N 3.39Å
125T96.6Very high92.9Very high75 Ų7589.3 Ų89.346%0.4650%0.5SS..Hα-helixtrans-64.1-38.6176.552.20000112.4L121 A122 L128 A129L121-T125 HydrophobicContact CD1-CG2 4.47Å; L121-T125 WeakPolarHBondContact O-CB 3.33Å; L121-T125 VanDerWaalsContact O-CG2 3.29Å; L121-T125 WeakPolarHBondContact O-CG2 3.27Å; L121-T125 PolarHBondContact O-N 2.88Å; L121-T125 PolarHBondContact O-OG1 3.47Å; A122-T125 WeakPolarHBondContact CA-OG1 3.49Å; A122-T125 PolarHBondContact O-OG1 3.48Å; T125-L128 PolarHBondContact O-N 3.41Å; T125-A129 VanDerWaalsContact O-CB 3.27Å; T125-A129 WeakPolarHBondContact O-CB 3.37Å; T125-A129 PolarHBondContact O-N 3.28Å
126A96.6Very high92.5Very high60 Ų6094 Ų9450%0.49651%0.51SS..Hα-helixtrans-63.9-42.4174.700000112.4A122 C123 F124 A129 F130A122-A126 WeakPolarHBondContact O-CB 3.35Å; A122-A126 PolarHBondContact O-N 3.29Å; C123-A126 PolarHBondContact O-N 3.33Å; F124-A126 PolarHBondContact O-N 3.44Å; A126-A129 PolarHBondContact O-N 2.86Å; A126-F130 WeakPolarHBondContact O-CB 3.45Å; A126-F130 PolarHBondContact O-N 3.36Å
127V96.7Very high92Very high82 Ų8292.8 Ų92.850%0.49751%0.509SS..Hα-helixtrans-64.9-45.1176172.20000111.1C123 F124 F130 I131C123-V127 WeakPolarHBondContact O-CG2 3.29Å; C123-V127 PolarHBondContact O-N 2.91Å; F124-V127 PolarHBondContact O-N 2.82Å; V127-F130 PolarHBondContact O-N 2.93Å; V127-I131 HydrophobicContact CG1-CD1 3.76Å; V127-I131 HydrophobicContact CG1-CG1 4.44Å; V127-I131 VanDerWaalsContact O-CG1 3.3Å; V127-I131 WeakPolarHBondContact O-CG1 3.4Å; V127-I131 PolarHBondContact O-N 3.17Å
128L95.1Very high91.1Very high78 Ų7892.1 Ų92.141%0.40851%0.511SS..Hα-helixtrans-61.3-46.7176-72.7-176.6000111.6F124 T125 F130 I131 C132F124-L128 HydrophobicContact CD1-CD1 3.75Å; F124-L128 HydrophobicContact CD1-CG 4.24Å; F124-L128 HydrophobicContact CE1-CD1 3.29Å; F124-L128 HydrophobicContact CE1-CG 3.95Å; F124-L128 HydrophobicContact CZ-CD1 3.85Å; F124-L128 HydrophobicContact CZ-CD2 4.25Å; F124-L128 HydrophobicContact CZ-CG 4.13Å; F124-L128 WeakPolarHBondContact O-CG 3.22Å; F124-L128 PolarHBondContact O-N 3.39Å; T125-L128 PolarHBondContact O-N 3.41Å; L128-F130 VanDerWaalsContact C-N 3.31Å; L128-F130 PolarHBondContact O-N 3.46Å; L128-I131 PolarHBondContact O-N 2.91Å; L128-C132 VanDerWaalsContact O-CB 3.32Å; L128-C132 WeakPolarHBondContact O-CB 3.49Å; L128-C132 PolarHBondContact O-N 2.93Å; L128-C132 PolarHBondContact O-SG 2.84Å
129A94.8Very high89.9Confident50 Ų5097.7 Ų97.741%0.41352%0.519SS..Hα-helixtrans-59.8-41.8176.100000111.7T125 A126 C132 L133T125-A129 VanDerWaalsContact O-CB 3.27Å; T125-A129 WeakPolarHBondContact O-CB 3.37Å; T125-A129 PolarHBondContact O-N 3.28Å; A126-A129 PolarHBondContact O-N 2.86Å; A129-C132 PolarHBondContact O-N 3.32Å; A129-L133 WeakPolarHBondContact O-CB 3.3Å; A129-L133 VanDerWaalsContact O-CG 3.22Å; A129-L133 WeakPolarHBondContact O-CG 3.23Å; A129-L133 PolarHBondContact O-N 3.01Å
130F95.1Very high88.2Confident126 Ų12695.7 Ų95.755%0.55351%0.514SS*.Hα-helixtrans-61.9-47.4175.5-180-101.6000112A126 V127 L128 C132 L133 Q134A126-F130 WeakPolarHBondContact O-CB 3.45Å; A126-F130 PolarHBondContact O-N 3.36Å; V127-F130 PolarHBondContact O-N 2.93Å; L128-F130 VanDerWaalsContact C-N 3.31Å; L128-F130 PolarHBondContact O-N 3.46Å; F130-C132 PolarHBondContact O-N 3.45Å; F130-L133 PolarHBondContact O-N 3.49Å; F130-Q134 HydrophobicContact CD1-CG 4.23Å; F130-Q134 HydrophobicContact CE1-CG 3.89Å; F130-Q134 HydrophobicContact CE2-CG 4.26Å; F130-Q134 HydrophobicContact CZ-CG 3.93Å; F130-Q134 WeakPolarHBondContact O-CB 3.46Å; F130-Q134 VanDerWaalsContact O-CG 3.28Å; F130-Q134 WeakPolarHBondContact O-CG 3.26Å; F130-Q134 PolarHBondContact O-N 3.13Å
131I92.6Very high86.4Confident98 Ų9895.3 Ų95.350%0.50351%0.509SS..Hα-helixtrans-63.5-42.3177.2-66167000110.7V127 L128 L133 Q134 F135V127-I131 HydrophobicContact CG1-CD1 3.76Å; V127-I131 HydrophobicContact CG1-CG1 4.44Å; V127-I131 VanDerWaalsContact O-CG1 3.3Å; V127-I131 WeakPolarHBondContact O-CG1 3.4Å; V127-I131 PolarHBondContact O-N 3.17Å; L128-I131 PolarHBondContact O-N 2.91Å; I131-L133 PolarHBondContact O-N 2.9Å; I131-Q134 PolarHBondContact O-N 3.28Å; I131-F135 VanDerWaalsContact O-CB 3.32Å; I131-F135 WeakPolarHBondContact O-CB 3.28Å; I131-F135 PolarHBondContact O-N 3.19Å
132C89.6Confident84.6Confident83 Ų8397.3 Ų97.356%0.56152%0.515SS*.Hα-helixtrans-62.9-40.7175.9-71.10000111.9L128 A129 F130 F135 W136L128-C132 VanDerWaalsContact O-CB 3.32Å; L128-C132 WeakPolarHBondContact O-CB 3.49Å; L128-C132 PolarHBondContact O-N 2.93Å; L128-C132 PolarHBondContact O-SG 2.84Å; A129-C132 PolarHBondContact O-N 3.32Å; F130-C132 PolarHBondContact O-N 3.45Å; C132-F135 PolarHBondContact O-N 3.26Å; C132-W136 VanDerWaalsContact O-CB 3.23Å; C132-W136 WeakPolarHBondContact O-CB 3.37Å; C132-W136 PolarHBondContact O-N 2.8Å
133L88.3Confident82.6Confident110 Ų11099 Ų9958%0.57652%0.521SS*.Hα-helixtrans-67.4-42.4175.3-75.3171.8000111.6A129 F130 I131 F135 W136 C137A129-L133 WeakPolarHBondContact O-CB 3.3Å; A129-L133 VanDerWaalsContact O-CG 3.22Å; A129-L133 WeakPolarHBondContact O-CG 3.23Å; A129-L133 PolarHBondContact O-N 3.01Å; F130-L133 PolarHBondContact O-N 3.49Å; I131-L133 PolarHBondContact O-N 2.9Å; L133-F135 VanDerWaalsContact C-N 3.33Å; L133-F135 PolarHBondContact O-N 3.49Å; L133-W136 PolarHBondContact O-N 3.24Å; L133-C137 VanDerWaalsContact O-CB 3.26Å; L133-C137 WeakPolarHBondContact O-CB 3.39Å; L133-C137 PolarHBondContact O-N 3.46Å; L133-C137 PolarHBondContact O-SG 2.99Å
134Q85.2Confident80.5Confident92 Ų92105.2 Ų105.243%0.4353%0.534SS..Hα-helixtrans-62-43.5174.7-71.2-68.34.700111.1F130 I131 C137 V138F130-Q134 HydrophobicContact CD1-CG 4.23Å; F130-Q134 HydrophobicContact CE1-CG 3.89Å; F130-Q134 HydrophobicContact CE2-CG 4.26Å; F130-Q134 HydrophobicContact CZ-CG 3.93Å; F130-Q134 WeakPolarHBondContact O-CB 3.46Å; F130-Q134 VanDerWaalsContact O-CG 3.28Å; F130-Q134 WeakPolarHBondContact O-CG 3.26Å; F130-Q134 PolarHBondContact O-N 3.13Å; I131-Q134 PolarHBondContact O-N 3.28Å; Q134-C137 PolarHBondContact O-N 3.34Å; Q134-V138 WeakPolarHBondContact O-CB 3.32Å; Q134-V138 VanDerWaalsContact O-CG2 3.24Å; Q134-V138 WeakPolarHBondContact O-CG2 2.87Å; Q134-V138 PolarHBondContact O-N 2.82Å
135F83Confident78.3Confident117 Ų117107.7 Ų107.751%0.51354%0.54SS..Hα-helixtrans-65.4-40.6176.1-171.7-104.2000112.2I131 C132 L133 V138 R139I131-F135 VanDerWaalsContact O-CB 3.32Å; I131-F135 WeakPolarHBondContact O-CB 3.28Å; I131-F135 PolarHBondContact O-N 3.19Å; C132-F135 PolarHBondContact O-N 3.26Å; L133-F135 VanDerWaalsContact C-N 3.33Å; L133-F135 PolarHBondContact O-N 3.49Å; F135-V138 PolarHBondContact O-N 3.46Å; F135-R139 HydrophobicContact CE1-CG 4.13Å; F135-R139 HydrophobicContact CE2-CG 4.27Å; F135-R139 HydrophobicContact CZ-CG 3.99Å; F135-R139 VanDerWaalsContact CZ-NH1 3.31Å; F135-R139 VanDerWaalsContact O-CB 3.28Å; F135-R139 WeakPolarHBondContact O-CB 3.32Å; F135-R139 PolarHBondContact O-N 3.37Å
136W79.5Confident76.2Confident174 Ų174108.7 Ų108.766%0.65955%0.55SS*.Hα-helixtrans-66.4-42.4174.8-169.2-82.3000111.4C132 L133 C140C132-W136 VanDerWaalsContact O-CB 3.23Å; C132-W136 WeakPolarHBondContact O-CB 3.37Å; C132-W136 PolarHBondContact O-N 2.8Å; L133-W136 PolarHBondContact O-N 3.24Å; W136-C140 WeakPolarHBondContact O-CA 3.24Å; W136-C140 WeakPolarHBondContact O-CB 3.04Å; W136-C140 PolarHBondContact O-N 3.26Å; W136-C140 PolarHBondContact O-SG 2.73Å
137C76.6Confident74Confident72 Ų72116 Ų11649%0.48657%0.566SS.*Hα-helixtrans-61.1-48.2174.1-730000110.2L133 Q134 H141L133-C137 VanDerWaalsContact O-CB 3.26Å; L133-C137 WeakPolarHBondContact O-CB 3.39Å; L133-C137 PolarHBondContact O-N 3.46Å; L133-C137 PolarHBondContact O-SG 2.99Å; Q134-C137 PolarHBondContact O-N 3.34Å; C137-H141 WeakPolarHBondContact O-CB 3.28Å; C137-H141 PolarHBondContact O-N 2.75Å
138V73.4Confident71.9Confident93 Ų93121.3 Ų121.356%0.56458%0.577SS**Hα-helixtrans-67.7-43.4179.7173.30000111.9Q134 F135Q134-V138 WeakPolarHBondContact O-CB 3.32Å; Q134-V138 VanDerWaalsContact O-CG2 3.24Å; Q134-V138 WeakPolarHBondContact O-CG2 2.87Å; Q134-V138 PolarHBondContact O-N 2.82Å; F135-V138 PolarHBondContact O-N 3.46Å
139R68.3Low69.8Low174 Ų174120.2 Ų120.266%0.65758%0.579SS**Hα-helixtrans-77.8-34.3-179.9-91.4-150.8159146.8-0.3114.7F135F135-R139 HydrophobicContact CE1-CG 4.13Å; F135-R139 HydrophobicContact CE2-CG 4.27Å; F135-R139 HydrophobicContact CZ-CG 3.99Å; F135-R139 VanDerWaalsContact CZ-NH1 3.31Å; F135-R139 VanDerWaalsContact O-CB 3.28Å; F135-R139 WeakPolarHBondContact O-CB 3.32Å; F135-R139 PolarHBondContact O-N 3.37Å
140C59.1Low67.6Low56 Ų56120.5 Ų120.538%0.37859%0.588SS.*Hα-helixtrans-91.2-9.6-178.9-59.30000113.1W136W136-C140 WeakPolarHBondContact O-CA 3.24Å; W136-C140 WeakPolarHBondContact O-CB 3.04Å; W136-C140 PolarHBondContact O-N 3.26Å; W136-C140 PolarHBondContact O-SG 2.73Å
141H57.8Low65.3Low89 Ų89122.1 Ų122.141%0.41260%0.596SS.*Hα-helixtrans-87.7-20172.2-160.8-90.9000113C137 W145C137-H141 WeakPolarHBondContact O-CB 3.28Å; C137-H141 PolarHBondContact O-N 2.75Å; H141-W145 AromaticContact CE1-CD1 3.49Å; H141-W145 VanDerWaalsContact CE1-CD1 3.49Å; H141-W145 AromaticContact CE1-CD2 3.5Å; H141-W145 VanDerWaalsContact CE1-CD2 3.5Å; H141-W145 AromaticContact CE1-CE2 3.54Å; H141-W145 AromaticContact CE1-CG 3.49Å; H141-W145 VanDerWaalsContact CE1-CG 3.49Å; H141-W145 AromaticContact CE1-NE1 3.51Å; H141-W145 AromaticContact NE2-CD1 3.36Å; H141-W145 AromaticContact NE2-CD2 3.94Å; H141-W145 AromaticContact NE2-CE2 3.53Å; H141-W145 AromaticContact NE2-CG 3.86Å; H141-W145 AromaticContact NE2-NE1 3.13Å; H141-W145 PolarHBondContact NE2-NE1 2.81Å; H141-W145 VanDerWaalsContact NE2-NE1 3.13Å
142E58.2Low63.1Low156 Ų156124.1 Ų124.173%0.72961%0.605SS**THydrogen-bonded Turntrans-69.6-18.6-177.9-142.669.8176.100116.3
143P54.1Low61.2Low89 Ų89127.9 Ų127.958%0.57862%0.615SS**THydrogen-bonded Turntrans-109.2-6.6172.133.2-23.4000115.2S146P143-S146 PolarHBondContact O-OG 3.49Å
144R53.1Low59.4Low207 Ų207131.2 Ų131.278%0.78163%0.627SS**THydrogen-bonded Turntrans-102.1-12.7-169-148.3173179.9152.90.3115.2
145W51.5Low57.7Low180 Ų180130.8 Ų130.868%0.68264%0.639SS**SBendtrans-89.3-22.3174.3-101.543.3000114.4H141 Y147 R148 A149H141-W145 AromaticContact CE1-CD1 3.49Å; H141-W145 VanDerWaalsContact CE1-CD1 3.49Å; H141-W145 AromaticContact CE1-CD2 3.5Å; H141-W145 VanDerWaalsContact CE1-CD2 3.5Å; H141-W145 AromaticContact CE1-CE2 3.54Å; H141-W145 AromaticContact CE1-CG 3.49Å; H141-W145 VanDerWaalsContact CE1-CG 3.49Å; H141-W145 AromaticContact CE1-NE1 3.51Å; H141-W145 AromaticContact NE2-CD1 3.36Å; H141-W145 AromaticContact NE2-CD2 3.94Å; H141-W145 AromaticContact NE2-CE2 3.53Å; H141-W145 AromaticContact NE2-CG 3.86Å; H141-W145 AromaticContact NE2-NE1 3.13Å; H141-W145 PolarHBondContact NE2-NE1 2.81Å; H141-W145 VanDerWaalsContact NE2-NE1 3.13Å; W145-Y147 VanDerWaalsContact C-N 3.28Å; W145-Y147 PolarHBondContact O-N 3.31Å; W145-R148 PolarHBondContact O-N 3.46Å; W145-A149 PolarHBondContact O-N 2.84Å
146S51.8Low55.9Low96 Ų96132 Ų13267%0.67165%0.651SS**THydrogen-bonded Turntrans-68.4-23.7177.954.40000113.7P143P143-S146 PolarHBondContact O-OG 3.49Å
147Y51Low54.4Low214 Ų214126.9 Ų126.984%0.83965%0.653SS**THydrogen-bonded Turntrans-92.4-18.9179.4-163.3-100.8000114.2W145W145-Y147 VanDerWaalsContact C-N 3.28Å; W145-Y147 PolarHBondContact O-N 3.31Å
148R52Low53Low194 Ų194131.3 Ų131.373%0.73267%0.671SS**THydrogen-bonded Turntrans-99.4-21.1-178.9-151.3-176.6-125.7-166.20.7113.5W145W145-R148 PolarHBondContact O-N 3.46Å
149A51.8Low51.5Low54 Ų54132.9 Ų132.945%0.44668%0.68SS.*G310 helixtrans-66.6-34.6175.300000112.7W145 H151 M152W145-A149 PolarHBondContact O-N 2.84Å; A149-H151 VanDerWaalsContact C-N 3.28Å; A149-H151 PolarHBondContact O-N 3.35Å; A149-M152 PolarHBondContact O-N 3.43Å
150G48.1Very low50Low57 Ų57135.4 Ų135.459%0.58869%0.69SS**G310 helixtrans-70.5-12.7-178.800000116.2
151H47Very low49.4Very low159 Ų159144.6 Ų144.674%0.73672%0.717SS**G310 helixtrans-104.4-8.3-179.4-166-72.7000113.1A149A149-H151 VanDerWaalsContact C-N 3.28Å; A149-H151 PolarHBondContact O-N 3.35Å
152M46.9Very low48.6Very low140 Ų140145.6 Ų145.669%0.6973%0.731SS**THydrogen-bonded Turntrans-101.7-11.2178.9-75.8-174.966.600113.9A149A149-M152 PolarHBondContact O-N 3.43Å
153E49.5Very low47.9Very low163 Ų163145.9 Ų145.976%0.76273%0.732SS**G310 helixtrans-81.5-17.8178.7-83.9-178.9126.500114.6A155E153-A155 PolarHBondContact O-N 3.42Å
154E50.3Low47Very low179 Ų179148.9 Ų148.984%0.83674%0.739SS**G310 helixtrans-82.3-6.8179.5-72.6-175.7157.200114.7
155A48.7Very low46.3Very low83 Ų83143.4 Ų143.469%0.68674%0.738SS**G310 helixtrans-92.2-6.1-175.100000114.9E153E153-A155 PolarHBondContact O-N 3.42Å
156N44.8Very low46Very low143 Ų143140.1 Ų140.177%0.76574%0.74SS**  trans-112.246.4-179-63.4-41.4000111.8L158N156-L158 PolarHBondContact O-N 2.79Å; N156-L158 VanDerWaalsContact O-N 3.14Å
157G48.9Very low44.8Very low67 Ų67143 Ų14369%0.69175%0.747SS**  trans-74.890.5164.600000110.5
158L47.2Very low44.1Very low165 Ų165141.3 Ų141.386%0.86475%0.752SS**  trans-160.6132.7147.3-128.9100.4000110N156N156-L158 PolarHBondContact O-N 2.79Å; N156-L158 VanDerWaalsContact O-N 3.14Å
159V40.9Very low43.2Very low126 Ų126135.3 Ų135.376%0.76475%0.751SS**SBendtrans102.681.7167.6-164.20000116.4
160R37.8Very low42.2Very low226 Ų226141.9 Ų141.985%0.85377%0.772SS**  86.293.8126.4-144.4-176.3-159.3110.52.4119
161W45.9Very low41.3Very low249 Ų249148.8 Ų148.894%0.94378%0.781SS**  trans-81151.1152.9-65.6103.8000111.3
162P41.3Very low40.6Very low110 Ų110147 Ų14771%0.71477%0.773SS**  trans-123118.41396.914.3000109.9
163E42.6Very low39.9Very low163 Ų163148.8 Ų148.876%0.76278%0.779SS**  60.7126.981.8-103.7-174.7146.700112.6
164E35.8Very low38.9Very low151 Ų151147.9 Ų147.971%0.70678%0.78SS**  cis-149.8157.37.5-70.285.2-173.100110.7
165A38.9Very low38Very low93 Ų93146.7 Ų146.777%0.76978%0.778SS**  trans-83.6170.8160.300000110.4
166P44.8Very low37.3Very low111 Ų111152 Ų15272%0.72179%0.789SS**  -146.6163.463.336.4-13.5000113.4
167D27.7Very low36.5Very low155 Ų155148.9 Ų148.983%0.82979%0.79SS**  -169.7135.783.9-104.9-22.9000111.6
168L34.8Very low35.9Very low180 Ų180153.7 Ų153.794%0.94280%0.799SS**  trans-86.2123.6160.4-82.8168.7000108.9
169G33.3Very low35.7Very low68 Ų68151 Ų15170%0.70179%0.792SS**  trans-151.696.2157.100000107
170Q30.6Very low35.1Very low192 Ų192153 Ų15390%0.89780%0.797SS**  54.8110.484.3-164.5151-24.300112.5
171R30.4Very low35.1Very low202 Ų202147.9 Ų147.976%0.76279%0.79SS**  trans136.1140131.8-166.4171.9177.6-170.5-8.6116.8
172E30.8Very low34.3Very low122 Ų122144.8 Ų144.857%0.5779%0.786SS**  trans60.4106.8163-108.591.212600117.4
173E32.7Very low34Very low177 Ų177145.3 Ų145.383%0.82779%0.788SS**  64.5132.876.3-58.5-175.4151.200115.9
174D28.4Very low34.5Very low144 Ų144142.8 Ų142.877%0.7779%0.785SS**  trans90.4102.2156.8-128.118.2000119.3
175L32.2Very low34.1Very low153 Ų153146.9 Ų146.980%0.80179%0.794SS**  177.2120.793.3-91.8165.7000111.4
176Q32.6Very low33.8Very low196 Ų196151 Ų15192%0.91679%0.794SS**  trans-71.8143.4159.7-65.1-179.816.300109.8
177G28.5Very low33.1Very low76 Ų76152 Ų15278%0.78479%0.794SS**  trans-179.269.4171.800000113
178L37.5Very low33.4Very low168 Ų168149.5 Ų149.588%0.8879%0.789SS**  trans-65.1154.8151.3-66.5174000107.5
179P42.1Very low33.4Very low110 Ų110151.5 Ų151.571%0.71478%0.784SS**  -160.9-176.751.640.2-15.5000118.7
180L27.6Very low33.4Very low167 Ų167152.9 Ų152.987%0.87478%0.775SS**  trans88.5131.8136.2-122.980.7000122.1
181V38.4Very low33.5Very low118 Ų118151.9 Ų151.972%0.71577%0.771SS**  trans-63.4140.6169.71700000113.1V183V181-V183 HydrophobicContact CG1-CG2 4.12Å
182E30.4Very low33.5Very low184 Ų184146.6 Ų146.686%0.8677%0.77SS**  trans-167.2104138.2-123.4164.3173.300110.6
183V35.1Very low33.4Very low122 Ų122149.9 Ų149.974%0.73979%0.785SS**  51.7157.698-116.50000118V181V181-V183 HydrophobicContact CG1-CG2 4.12Å
184P52.4Low33.2Very low109 Ų109148.3 Ų148.371%0.70878%0.782SS**  -128.9178.4-112.742.6-23.2000114.9
185R27.1Very low33.4Very low238 Ų238148.2 Ų148.290%0.89878%0.781SS**  trans-172.8115.1154.4-108.8173.6169104.6-2.9109
186K31.8Very low34.1Very low178 Ų178145.5 Ų145.577%0.77477%0.773SS**  62.912376.2-159.6172.7-176.2168.70110.6
187N30Very low33.8Very low132 Ų132144.8 Ų144.871%0.70677%0.77SS**  cis-155.2160.816.8-100.6-15.3000105.5
188S34.8Very low33.8Very low104 Ų104145.7 Ų145.773%0.72777%0.769SS**  179.9125.669.743.50000107.6
189R33.8Very low33.4Very low222 Ų222144.9 Ų144.984%0.83877%0.766SS**  89.8127.986.4-160.3-178.1-166.6-170.71.3110.6
190D33.9Very low32.9Very low97 Ų97148 Ų14852%0.51977%0.771SS.*  cis-155.5132.9-3.3-95.2-11.7000104.3
191E33.1Very low33Very low171 Ų171147.5 Ų147.580%0.79977%0.769SS**  67.4136.494.1-59-173.914300113.5
192A30.6Very low32.6Very low91 Ų91146 Ų14675%0.75277%0.77SS**  cis-152.1136.634.200000109.2
193E28.5Very low33.7Very low191 Ų191142.9 Ų142.989%0.89377%0.765SS**  73.4147.871.3-80.2-140.512200116.6
194L29Very low33.4Very low144 Ų144144.4 Ų144.475%0.75477%0.769SS**  trans-122.9140.1-145.6-176.999.9000109.3
195N32.7Very low32.3Very low142 Ų142143.5 Ų143.576%0.75977%0.771SS**  trans63-179.9157.2-84.7-3.3000117
196P45.6Very low32.4Very low96 Ų96135.6 Ų135.662%0.62376%0.763SS**  cis-137.6-170.8-10.419.87.7000114.4
197E26.3Very low32.4Very low181 Ų181131.5 Ų131.585%0.84676%0.763SS**  trans71.8121.5145.8-81.3168.3131.900121.7
198A29.5Very low32.5Very low94 Ų94132.4 Ų132.478%0.77777%0.767SS**  158.2122.4102.200000112.9
199N28.9Very low32.4Very low151 Ų151134.4 Ų134.481%0.80777%0.765SS**  trans35122.8133.7-1043.3000120.1
200Q31.5Very low32.2Very low175 Ų175134.8 Ų134.882%0.81877%0.766SS**  179128.4107.9-95.1165.423.200113.4
201D30.3Very low32Very low158 Ų158134 Ų13485%0.84578%0.781SS**  trans28.8139.7139.7-68.1-47.9000123.7
202A29Very low31.8Very low87 Ų87129.9 Ų129.972%0.71978%0.784SS**  trans-64.8-163.1175.300000114.4
203P53.6Low31.8Very low118 Ų118129.4 Ų129.477%0.76679%0.788SS**  -120.1-170.9-50.924.9-4.2000110.2
204D29.4Very low32Very low154 Ų154128 Ų12882%0.82479%0.787SS**  138.6151.9121.5-1421.7000115.4
205A30Very low32.5Very low90 Ų90130.1 Ų130.174%0.74479%0.793SS**  trans-26.2154.2-178.700000120.4
206G28.6Very low32.9Very low72 Ų72129.1 Ų129.174%0.74279%0.794SS**  trans123.292.7131.500000116.9
207A32.3Very low32.6Very low92 Ų92128.9 Ų128.976%0.7680%0.8SS**  trans21.7135.7134.800000122
208L31.8Very low33.1Very low151 Ų151128.3 Ų128.379%0.79180%0.801SS**  98.1123.3124.8-92.5164.9000121.4
209Q32.7Very low33.9Very low146 Ų146131.5 Ų131.568%0.68280%0.804SS**  trans77.5149.1152.5-51.4-163.233.900116.8
210R30.1Very low34.4Very low230 Ų230130.1 Ų130.187%0.86880%0.804SS**  cis-171152.528.1-159.6170.6-176.4158.60.6111.2
211G28.1Very low34.5Very low80 Ų80131 Ų13183%0.82581%0.807SS**  trans86.4137.214500000115.7
212G28.9Very low34.6Very low85 Ų85129.2 Ų129.288%0.87681%0.806SS**  cis158135.67.500000107
213G30.3Very low34.9Very low81 Ų81128.3 Ų128.384%0.83581%0.805SS**  trans-170.8101.717700000110.7
214D33.7Very low34Very low162 Ų162135.9 Ų135.987%0.86683%0.83SS**  trans-66.2142.7178.8-72.2-47.9000114.1
215Q38.8Very low34.3Very low188 Ų188135 Ų13588%0.87983%0.831SS**  173.6162.5119.4-100.3-173.822.800113.3
216P41.9Very low34.5Very low120 Ų120137.3 Ų137.378%0.77984%0.835SS**  -114.5178.4-117.642.9-34.4000116.6
217A39.7Very low34.8Very low92 Ų92140.9 Ų140.976%0.7684%0.84SS**  trans-56.9146.1-171.100000118.6
218I36.2Very low35Very low169 Ų169143.8 Ų143.887%0.86785%0.845SS**  trans-134.9119.7149.4-75.1148.3000108.1
219L47.1Very low35.2Very low160 Ų160143.4 Ų143.484%0.83885%0.848SS**PPolyproline II helixtrans-79.1147.5171.2-88.2149000110.8
220P38.1Very low35.3Very low123 Ų123143.2 Ų143.280%0.79986%0.86SS**PPolyproline II helixtrans-98126.6154.717.3-0.1000111.1
221H34.8Very low35.7Very low192 Ų192137 Ų13789%0.88986%0.859SS**PPolyproline II helixtrans-80.4153.8173.1-163.826.9000110.6
222C30.8Very low36.3Very low121 Ų121141.4 Ų141.482%0.81886%0.862SS**  trans-116.3147.3-178.5-169.80000109.4
223G36.7Very low36.9Very low68 Ų68146.1 Ų146.170%0.70186%0.86SS**  trans130.7132.8172.900000111.1
224E34.9Very low37.5Very low277 Ų277152 Ų152100%1.29486%0.863SS**  cis-135022.2-75.7168.4101.200112.7

Retrieved 224 of 224 residues in 234.7 ms (Link to these results)

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